*HEADER    UNKNOWN FUNCTION                        18-MAY-13   2M8F              
*TITLE     STRUCTURE OF LASSO PEPTIDE ASTEXIN3                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ASTEXIN3;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 26-49;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ASTICCACAULIS EXCENTRICUS;                      
*SOURCE   3 ORGANISM_TAXID: 573065;                                              
*SOURCE   4 STRAIN: ATCC 15261 / DSM 4724 / VKM B-1370 / CB 48;                  
*SOURCE   5 GENE: ASTEX_2447;                                                    
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PASK-75                                   
*KEYWDS    SIDECHAIN-TO-BACKBONE LINK, UNKNOWN FUNCTION                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.O.MAKSIMOV, A.LINK                                                  
*REVDAT   1   31-JUL-13 2M8F    0                                                


# Proper Geometry
  1 GLY  N       9 ASP  CG      1.33 
  1 GLY  N       9 ASP  OD1     2.26 
  1 GLY  N       9 ASP  CB      2.41 
  1 GLY  H       9 ASP  CG      2.06 
  1 GLY  CA      9 ASP  CG      2.42 
  1 GLY  H       1 GLY  CA      2.09 
  1 GLY  CA      9 ASP  OD1     2.78 
  1 GLY  H       9 ASP  OD1     3.17 
  
# Constraints
18 GLN QG 19 HIS HD1 4.18
18 GLN HA 19 HIS HD1 3.93
18 GLN HB2 19 HIS HD1 4.31
18 GLN HB3 19 HIS HD1 3.63
8 LEU HG 19 HIS HD1 5.45
12 SER H 11 VAL H 2.46
10 SER HA 11 VAL H 3.51
5 MET QG 6 VAL H 4.62
20 ALA QB 6 VAL H 8.14
5 MET QE 6 VAL H 4.92
5 MET QB 6 VAL H 4.03
5 MET HA 6 VAL H 3.17
18 GLN HA 20 ALA H 3.85
19 HIS HA 20 ALA H 3.31
19 HIS QB 20 ALA H 4.20
16 TRP HZ3 16 TRP H 5.77
15 TYR HA 16 TRP H 2.43
5 MET QG 16 TRP H 6.16
17 ASP HB3 16 TRP H 6.00
12 SER H 13 GLY H 2.58
12 SER HA 13 GLY H 2.50
12 SER HB3 13 GLY H 4.66
23 ALA H 24 ASP H 2.54
1 GLY H 13 GLY H 4.10
23 ALA QB 24 ASP H 4.25
23 ALA HA 24 ASP H 2.96
18 GLN HB3 19 HIS H 3.38
18 GLN HB2 19 HIS H 3.44
18 GLN QG 19 HIS H 3.83
18 GLN H 19 HIS H 4.64
18 GLN HA 19 HIS H 2.23
8 LEU HG 9 ASP H 4.16
8 LEU HB3 9 ASP H 4.45
1 GLY H 9 ASP H 2.99
8 LEU QQD 9 ASP H 4.82
18 GLN H 9 ASP H 4.70
8 LEU HB2 9 ASP H 3.82
22 LEU QB 5 MET H 5.86
15 TYR HA 5 MET H 4.55
3 THR QG2 5 MET H 3.82
16 TRP HB3 5 MET H 3.48
23 ALA QB 5 MET H 6.35
21 PRO QB 22 LEU H 4.11
1 GLY H 23 ALA H 8.86
18 GLN H 23 ALA H 5.89
15 TYR HB2 3 THR H 3.21
15 TYR HB3 3 THR H 3.27
16 TRP HB3 3 THR H 4.69
18 GLN H 16 TRP HE3 4.50
5 MET QG 16 TRP HE3 4.72
5 MET QE 16 TRP HE3 6.89
5 MET QB 16 TRP HE3 4.91
1 GLY H 16 TRP HE3 4.83
17 ASP HB3 18 GLN H 3.80
17 ASP HB2 18 GLN H 4.24
17 ASP HA 18 GLN H 2.90
16 TRP HA 17 ASP H 2.22
16 TRP HB3 17 ASP H 3.79
9 ASP HB2 1 GLY H 2.49
9 ASP HB3 1 GLY H 3.45
7 GLY HA3 1 GLY H 5.90
8 LEU HB3 1 GLY H 4.05
11 VAL HA 12 SER H 3.16
11 VAL QQG 12 SER H 3.93
9 ASP HB3 12 SER H 3.19
11 VAL HB 12 SER H 2.65
18 GLN QG 18 GLN HE21 3.00
16 TRP HA 18 GLN HE21 7.23
16 TRP HB 18 GLN HE21 7.06
3 THR QG2 16 TRP HD1 3.73
18 GLN QG 16 TRP HD1 5.59
18 GLN HB2 16 TRP HD1 3.83
18 GLN HB3 16 TRP HD1 3.30
16 TRP HA 7 GLY H 3.10
6 VAL HA 7 GLY H 2.19
6 VAL QQG 7 GLY H 3.65
16 TRP HB2 15 TYR H 4.95
18 GLN QG 19 HIS HD2 5.60
3 THR QG2 14 GLN HE21 4.65
6 VAL QQG 16 TRP HZ3 4.89
6 VAL HA 14 GLN HE21 5.44
15 TYR HB3 14 GLN HE21 4.32
15 TYR HA 14 GLN HE21 3.82
15 TYR HB3 14 GLN HE22 3.87
15 TYR HB2 14 GLN HE22 4.00
6 VAL QQG 14 GLN HE22 5.61
6 VAL HA 15 TYR HA 2.91
4 PRO HG2 3 THR HA 4.54
4 PRO HG3 3 THR HA 4.49
2 PRO QD 3 THR HA 6.79
4 PRO QD 3 THR HA 2.45
6 VAL HA 5 MET HA 4.86
21 PRO QD 20 ALA HA 2.30
16 TRP HB3 3 THR HB 2.39
17 ASP HB3 1 GLY HA2 4.73
17 ASP HB2 1 GLY HA2 3.53
2 PRO QD 1 GLY HA2 2.37
14 GLN HB2 13 GLY HA3 3.92
3 THR QG2 4 PRO QD 3.98
14 GLN HB3 13 GLY HA3 5.05
6 VAL QQG 7 GLY HA3 4.39
20 ALA QB 21 PRO QD 3.36
5 MET QE 16 TRP HB3 3.62
5 MET QB 16 TRP HB3 3.49
5 MET QG 16 TRP HB3 3.06
3 THR QG2 16 TRP HB3 3.32
8 LEU HB2 16 TRP HB3 5.11
3 THR QG2 5 MET QG 4.09
14 GLN HB3 15 TYR HB2 3.54
5 MET QE 4 PRO HG2 2.62
14 GLN HB3 2 PRO HG3 5.11
8 LEU HB3 14 GLN HB2 8.64
3 THR QG2 5 MET QE 5.26
3 THR QG2 23 ALA QB 4.27
12 SER HB2 14 GLN HE21 6.77
18 GLN HB3 3 THR HA 8.12
20 ALA QB 19 HIS NE2 4.69
3 THR HB 16 TRP HD1 3.12
9 ASP HB2 7 GLY H 4.05
9 ASP HB2 16 TRP HZ3 6.45
16 TRP HE3 9 ASP H 4.05
21 PRO QG 22 LEU H 2.23

# Intra residue
6 VAL HA 6 VAL H 2.93
11 VAL HA 11 VAL H 3.20
11 VAL HB 11 VAL H 3.15
6 VAL HB 6 VAL H 3.35
20 ALA HB 20 ALA H 3.55
16 TRP HB2 16 TRP H 3.33
16 TRP HA 16 TRP H 3.01
16 TRP HB3 16 TRP H 3.86
13 GLY HA2 13 GLY H 2.85
13 GLY HA3 13 GLY H 2.65
24 ASP HA 24 ASP H 3.04
19 HIS HA 19 HIS H 2.84
19 HIS QB 19 HIS H 3.03
9 ASP HA 9 ASP H 2.63
9 ASP HB2 9 ASP H 2.71
9 ASP HB3 9 ASP H 3.52
5 MET QG 5 MET H 4.67
5 MET HA 5 MET H 2.74
5 MET QB 5 MET H 3.67
5 MET QE 5 MET H 5.19
22 LEU HG 22 LEU H 3.17
22 LEU QQD 22 LEU H 5.61
22 LEU QB 22 LEU H 2.90
23 ALA HB 23 ALA H 2.82
3 THR HA 3 THR H 2.87
16 TRP HA 16 TRP HE3 2.36
3 THR HB 3 THR H 3.24
3 THR HG2 3 THR H 6.70
16 TRP HZ3 16 TRP HE3 2.34
16 TRP HB3 16 TRP HE3 4.20
18 GLN HA 18 GLN H 2.75
18 GLN HB3 18 GLN H 2.84
18 GLN HB2 18 GLN H 2.82
18 GLN QG 18 GLN H 4.39
17 ASP HB3 17 ASP H 3.05
17 ASP HB2 17 ASP H 2.84
1 GLY HA3 1 GLY H 3.55
1 GLY HA2 1 GLY H 3.10
16 TRP HA 16 TRP HD1 4.54
18 GLN HA 18 GLN HE21 4.91
12 SER HA 12 SER H 2.73
18 GLN HE22 18 GLN HE21 1.78
19 HIS QB 19 HIS HE1 5.04
16 TRP HB3 16 TRP HD1 2.79
16 TRP HH2 16 TRP HZ2 2.46
15 TYR HA 15 TYR H 2.76
7 GLY HA2 7 GLY H 3.00
7 GLY HA3 7 GLY H 3.26
15 TYR HB3 15 TYR H 3.91
14 GLN HA 14 GLN HE21 2.99
18 GLN QG 18 GLN HE22 3.67
18 GLN HA 18 GLN HE22 5.61
14 GLN HB2 14 GLN HE21 4.11
16 TRP HB3 16 TRP HZ3 6.43
15 TYR HB2 15 TYR H 3.23
14 GLN HB3 14 GLN HE21 3.49
15 TYR QR 15 TYR H 5.56
16 TRP HA 16 TRP HZ3 4.14
15 TYR HB3 15 TYR QR 4.87
15 TYR HB2 15 TYR QR 5.38
14 GLN HA 14 GLN HE22 3.37
3 THR HB 3 THR HA 2.89
14 GLN HB2 14 GLN HE22 4.73
14 GLN QG 14 GLN HE22 4.35
3 THR HB 3 THR HG1 3.35
19 HIS QB 19 HIS HA 2.46
5 MET QE 5 MET HA 4.36
20 ALA HB 20 ALA HA 2.26
5 MET QG 5 MET HA 3.25
8 LEU HB3 8 LEU HA 2.82
8 LEU QQD 8 LEU HA 3.13
8 LEU HG 8 LEU HA 3.63
8 LEU HB2 8 LEU HA 2.77
9 ASP HB3 9 ASP HA 2.49
9 ASP HB2 9 ASP HA 2.67
16 TRP HB3 16 TRP HA 2.99
14 GLN HB2 14 GLN HA 2.40
21 PRO QB 21 PRO HA 2.78
21 PRO QG 21 PRO HA 3.84
14 GLN HB3 14 GLN HA 2.64
22 LEU QQD 22 LEU HA 3.89
6 VAL QQG 6 VAL HA 3.05
6 VAL HB 6 VAL HA 2.57
11 VAL HB 11 VAL HA 3.02
11 VAL QQG 11 VAL H 4.06
18 GLN HB3 18 GLN HA 3.02
18 GLN QG 18 GLN HA 2.72
18 GLN HB2 18 GLN HA 2.69
4 PRO HG3 4 PRO QD 2.99
4 PRO HG2 4 PRO QD 2.85
2 PRO HG2 2 PRO QD 2.57
2 PRO HG3 2 PRO QD 2.58
9 ASP HB3 9 ASP HB2 1.92
5 MET QB 5 MET QG 3.30
11 VAL QQG 11 VAL HB 2.81
6 VAL QQG 6 VAL HB 2.81# Torsion Angles from 3JHHA
  3 THR   PHI    -150.0   -90.0
  5 MET   PHI    -150.0   -90.0
  6 VAL   PHI    -150.0   -90.0
 12 SER   PHI    -150.0   -90.0
 17 ASP   PHI    -150.0   -90.0
 18 GLN   PHI    -150.0   -90.0
 19 HIS   PHI    -150.0   -90.0
 20 ALA   PHI    -150.0   -90.0
 22 LEU   PHI    -150.0   -90.0
 23 ALA   PHI    -150.0   -90.0
 24 ASP   PHI    -150.0   -90.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   1.818  -0.379   0.759
    2    HA2  GLY   1           HA3      GLY   1   1.198   0.793  -1.884
    3    HA3  GLY   1           HA2      GLY   1   2.685   1.109  -0.978
    4    HA   PRO   2           HA       PRO   2   3.064  -2.213  -4.155
    5    HB2  PRO   2           HB3      PRO   2   5.383  -1.524  -5.388
    6    HB3  PRO   2           HB2      PRO   2   3.897  -0.530  -5.530
    7    HG2  PRO   2           HG3      PRO   2   6.211  -0.134  -3.583
    8    HG3  PRO   2           HG2      PRO   2   5.511   1.077  -4.706
    9    HD2  PRO   2           HD3      PRO   2   4.718   0.938  -2.116
   10    HD3  PRO   2           HD2      PRO   2   3.538   1.270  -3.426
   11    H    THR   3           H        THR   3   5.355  -1.801  -1.596
   12    HA   THR   3           HA       THR   3   7.263  -3.810  -2.337
   13    HB   THR   3           HB       THR   3   8.290  -2.317  -0.957
   14    HG1  THR   3           HG1      THR   3   8.900  -3.559   0.581
   15   HG21  THR   3          HG21      THR   3   5.693  -2.154   0.560
   16   HG22  THR   3          HG22      THR   3   6.478  -0.870  -0.409
   17   HG23  THR   3          HG23      THR   3   7.161  -1.344   1.129
   18    HA   PRO   4           HA       PRO   4   5.292  -7.447  -0.674
   19    HB2  PRO   4           HB3      PRO   4   7.323  -9.227  -0.631
   20    HB3  PRO   4           HB2      PRO   4   6.833  -8.435  -2.153
   21    HG2  PRO   4           HG3      PRO   4   9.079  -7.565  -0.278
   22    HG3  PRO   4           HG2      PRO   4   9.186  -7.907  -2.035
   23    HD2  PRO   4           HD3      PRO   4   8.803  -5.383  -1.080
   24    HD3  PRO   4           HD2      PRO   4   8.029  -5.943  -2.594
   25    H    MET   5           H        MET   5   5.085  -5.913   1.448
   26    HA   MET   5           HA       MET   5   5.953  -7.703   3.664
   27    HB2  MET   5           HB3      MET   5   6.129  -4.681   3.764
   28    HB3  MET   5           HB2      MET   5   6.346  -5.763   5.149
   29    HG2  MET   5           HG3      MET   5   8.262  -6.823   3.924
   30    HG3  MET   5           HG2      MET   5   8.069  -5.603   2.656
   31    HE1  MET   5           HE1      MET   5  11.395  -4.482   4.263
   32    HE2  MET   5           HE2      MET   5  10.838  -6.171   4.190
   33    HE3  MET   5           HE3      MET   5  10.544  -5.078   2.821
   34    H    VAL   6           H        VAL   6   4.323  -5.193   5.120
   35    HA   VAL   6           HA       VAL   6   1.664  -5.641   4.203
   36    HB   VAL   6           HB       VAL   6   1.976  -7.802   5.392
   37   HG11  VAL   6          HG11      VAL   6   3.487  -7.007   7.216
   38   HG12  VAL   6          HG12      VAL   6   2.089  -6.239   7.989
   39   HG13  VAL   6          HG13      VAL   6   2.125  -7.998   7.766
   40   HG21  VAL   6          HG21      VAL   6  -0.264  -6.789   5.143
   41   HG22  VAL   6          HG22      VAL   6  -0.093  -7.850   6.552
   42   HG23  VAL   6          HG23      VAL   6  -0.102  -6.091   6.775
   43    H    GLY   7           H        GLY   7   0.266  -4.026   4.900
   44    HA2  GLY   7           HA3      GLY   7  -0.744  -2.619   6.470
   45    HA3  GLY   7           HA2      GLY   7   0.664  -2.747   7.528
   46    H    LEU   8           H        LEU   8  -0.017  -0.380   7.657
   47    HA   LEU   8           HA       LEU   8   0.528   1.803   7.513
   48    HB2  LEU   8           HB3      LEU   8   2.836   0.719   7.083
   49    HB3  LEU   8           HB2      LEU   8   2.624   1.211   5.422
   50    HG   LEU   8           HG       LEU   8   4.019   2.781   6.460
   51   HD11  LEU   8          HD11      LEU   8   2.967   4.913   6.306
   52   HD12  LEU   8          HD12      LEU   8   1.359   4.247   6.637
   53   HD13  LEU   8          HD13      LEU   8   2.174   3.894   5.110
   54   HD21  LEU   8          HD21      LEU   8   3.527   2.184   8.792
   55   HD22  LEU   8          HD22      LEU   8   2.011   3.114   8.717
   56   HD23  LEU   8          HD23      LEU   8   3.575   3.937   8.554
   57    H    ASP   9           H        ASP   9   0.598   0.449   4.314
   58    HA   ASP   9           HA       ASP   9   0.037   2.484   2.570
   59    HB2  ASP   9           HB2      ASP   9   0.831  -0.037   2.448
   60    HB3  ASP   9           HB3      ASP   9  -0.860  -0.376   2.167
   61    H    SER  10           H        SER  10  -2.021   2.719   4.662
   62    HA   SER  10           HA       SER  10  -4.615   1.835   3.888
   63    HB2  SER  10           HB3      SER  10  -3.938   2.668   6.163
   64    HB3  SER  10           HB2      SER  10  -3.977   4.319   5.510
   65    HG   SER  10           HG       SER  10  -6.182   3.685   4.785
   66    H    VAL  11           H        VAL  11  -2.851   3.949   2.090
   67    HA   VAL  11           HA       VAL  11  -5.182   5.542   1.109
   68    HB   VAL  11           HB       VAL  11  -2.335   5.790   0.086
   69   HG11  VAL  11          HG11      VAL  11  -4.012   6.906  -1.315
   70   HG12  VAL  11          HG12      VAL  11  -4.760   7.651   0.115
   71   HG13  VAL  11          HG13      VAL  11  -3.134   8.135  -0.414
   72   HG21  VAL  11          HG21      VAL  11  -2.151   6.248   2.472
   73   HG22  VAL  11          HG22      VAL  11  -2.133   7.778   1.616
   74   HG23  VAL  11          HG23      VAL  11  -3.624   7.250   2.435
   75    H    SER  12           H        SER  12  -3.479   2.604   0.399
   76    HA   SER  12           HA       SER  12  -5.272   2.237  -1.951
   77    HB2  SER  12           HB3      SER  12  -2.270   1.856  -1.961
   78    HB3  SER  12           HB2      SER  12  -3.345   1.084  -3.142
   79    HG   SER  12           HG       SER  12  -3.831   3.765  -2.676
   80    H    GLY  13           H        GLY  13  -4.048   0.888   0.920
   81    HA2  GLY  13           HA3      GLY  13  -5.075  -0.919   2.032
   82    HA3  GLY  13           HA2      GLY  13  -5.906  -1.376   0.543
   83    H    GLN  14           H        GLN  14  -2.441  -0.902   0.491
   84    HA   GLN  14           HA       GLN  14  -2.135  -3.753  -0.241
   85    HB2  GLN  14           HB3      GLN  14  -1.818  -1.241  -1.583
   86    HB3  GLN  14           HB2      GLN  14  -0.242  -1.916  -1.459
   87    HG2  GLN  14           HG3      GLN  14  -2.678  -3.406  -2.548
   88    HG3  GLN  14           HG2      GLN  14  -1.668  -2.367  -3.543
   89   HE21  GLN  14          HE21      GLN  14   1.016  -3.160  -2.593
   90   HE22  GLN  14          HE22      GLN  14   1.122  -4.822  -3.167
   91    H    TYR  15           H        TYR  15   0.860  -3.466  -0.478
   92    HA   TYR  15           HA       TYR  15   1.039  -4.651   2.221
   93    HB2  TYR  15           HB3      TYR  15   2.146  -5.486  -0.449
   94    HB3  TYR  15           HB2      TYR  15   2.620  -6.257   1.049
   95    HD1  TYR  15           HD2      TYR  15   0.804  -7.230   2.600
   96    HD2  TYR  15           HD1      TYR  15   0.191  -6.274  -1.538
   97    HE1  TYR  15           HE2      TYR  15  -1.247  -8.668   2.562
   98    HE2  TYR  15           HE1      TYR  15  -1.863  -7.647  -1.582
   99    HH   TYR  15           HH       TYR  15  -3.281  -8.870  -0.353
  100    H    TRP  16           H        TRP  16   2.010  -1.923   1.753
  101    HA   TRP  16           HA       TRP  16   3.269  -1.062   3.633
  102    HB2  TRP  16           HB3      TRP  16   4.505  -3.077   4.109
  103    HB3  TRP  16           HB2      TRP  16   5.547  -2.786   2.710
  104    HD1  TRP  16           HD1      TRP  16   7.707  -1.682   3.167
  105    HE1  TRP  16           HE1      TRP  16   8.845  -0.573   5.169
  106    HE3  TRP  16           HE3      TRP  16   3.763  -1.631   6.396
  107    HZ2  TRP  16           HZ2      TRP  16   8.115   0.322   7.825
  108    HZ3  TRP  16           HZ3      TRP  16   4.032  -0.736   8.704
  109    HH2  TRP  16           HH2      TRP  16   6.186   0.280   9.411
  110    H    ASP  17           H        ASP  17   5.130   0.486   3.598
  111    HA   ASP  17           HA       ASP  17   4.611   2.133   1.142
  112    HB2  ASP  17           HB3      ASP  17   2.889   1.747   3.260
  113    HB3  ASP  17           HB2      ASP  17   3.801   3.121   3.839
  114    H    GLN  18           H        GLN  18   7.087   1.370   3.093
  115    HA   GLN  18           HA       GLN  18   7.808   4.174   3.887
  116    HB2  GLN  18           HB3      GLN  18   7.014   2.680   5.756
  117    HB3  GLN  18           HB2      GLN  18   8.477   1.723   5.493
  118    HG2  GLN  18           HG3      GLN  18   9.666   4.146   5.673
  119    HG3  GLN  18           HG2      GLN  18   8.179   4.543   6.530
  120   HE21  GLN  18          HE21      GLN  18  10.677   1.901   6.411
  121   HE22  GLN  18          HE22      GLN  18  10.718   1.782   8.185
  122    H    HIS  19           H        HIS  19   8.905   4.315   1.928
  123    HA   HIS  19           HA       HIS  19  10.961   3.630   0.673
  124    HB2  HIS  19           HB3      HIS  19  12.012   5.923   0.802
  125    HB3  HIS  19           HB2      HIS  19  10.297   5.842   0.446
  126    HD1  HIS  19           HD1      HIS  19  11.659   5.596   3.981
  127    HD2  HIS  19           HD2      HIS  19   9.450   8.073   1.400
  128    HE1  HIS  19           HE1      HIS  19  10.510   7.407   5.515
  129    HE2  HIS  19           HE2      HIS  19   9.169   8.931   3.881
  130    H    ALA  20           H        ALA  20  12.934   3.163   0.519
  131    HA   ALA  20           HA       ALA  20  15.286   2.846   1.496
  132    HB1  ALA  20           HB1      ALA  20  14.640   2.545   3.838
  133    HB2  ALA  20           HB2      ALA  20  13.498   1.251   3.395
  134    HB3  ALA  20           HB3      ALA  20  15.248   0.996   3.228
  135    HA   PRO  21           HA       PRO  21  14.722   0.046  -1.805
  136    HB2  PRO  21           HB3      PRO  21  17.113  -1.283  -2.069
  137    HB3  PRO  21           HB2      PRO  21  16.924   0.477  -2.256
  138    HG2  PRO  21           HG3      PRO  21  17.730  -1.033   0.259
  139    HG3  PRO  21           HG2      PRO  21  18.615   0.306  -0.545
  140    HD2  PRO  21           HD3      PRO  21  16.949   0.809   1.522
  141    HD3  PRO  21           HD2      PRO  21  16.974   1.902   0.103
  142    H    LEU  22           H        LEU  22  13.565  -1.143   0.556
  143    HA   LEU  22           HA       LEU  22  12.912  -3.672  -0.739
  144    HB2  LEU  22           HB3      LEU  22  13.410  -3.582   2.269
  145    HB3  LEU  22           HB2      LEU  22  12.655  -4.919   1.410
  146    HG   LEU  22           HG       LEU  22  15.537  -4.055   0.969
  147   HD11  LEU  22          HD11      LEU  22  14.357  -6.376   2.545
  148   HD12  LEU  22          HD12      LEU  22  15.126  -4.935   3.242
  149   HD13  LEU  22          HD13      LEU  22  16.086  -6.062   2.266
  150   HD21  LEU  22          HD21      LEU  22  14.480  -5.250  -0.972
  151   HD22  LEU  22          HD22      LEU  22  14.001  -6.564   0.118
  152   HD23  LEU  22          HD23      LEU  22  15.725  -6.227  -0.189
  153    H    ALA  23           H        ALA  23  11.917  -0.773   0.148
  154    HA   ALA  23           HA       ALA  23   9.261  -1.413   1.147
  155    HB1  ALA  23           HB1      ALA  23  10.601  -1.619   3.168
  156    HB2  ALA  23           HB2      ALA  23  11.355  -0.032   2.853
  157    HB3  ALA  23           HB3      ALA  23   9.632  -0.135   3.246
  158    H    ASP  24           H        ASP  24  11.454   0.827  -0.261
  159    HA   ASP  24           HA       ASP  24   9.179   2.148  -1.563
  160    HB2  ASP  24           HB3      ASP  24  12.013   1.707  -2.619
  161    HB3  ASP  24           HB2      ASP  24  10.752   2.708  -3.316
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   2.032   0.686   0.199
    2    HA2  GLY   1           HA3      GLY   1   1.484   2.372  -2.221
    3    HA3  GLY   1           HA2      GLY   1   3.033   2.325  -1.377
    4    HA   PRO   2           HA       PRO   2   2.696  -0.929  -4.718
    5    HB2  PRO   2           HB3      PRO   2   4.045   0.034  -6.840
    6    HB3  PRO   2           HB2      PRO   2   2.436   0.656  -6.367
    7    HG2  PRO   2           HG3      PRO   2   5.139   1.853  -5.615
    8    HG3  PRO   2           HG2      PRO   2   3.759   2.675  -6.415
    9    HD2  PRO   2           HD3      PRO   2   4.126   2.766  -3.705
   10    HD3  PRO   2           HD2      PRO   2   2.488   2.681  -4.424
   11    H    THR   3           H        THR   3   4.105  -1.643  -2.714
   12    HA   THR   3           HA       THR   3   6.734  -2.685  -3.673
   13    HB   THR   3           HB       THR   3   5.937  -1.133  -1.224
   14    HG1  THR   3           HG1      THR   3   7.397   0.111  -1.882
   15   HG21  THR   3          HG21      THR   3   8.000  -1.562  -0.079
   16   HG22  THR   3          HG22      THR   3   8.478  -2.797  -1.228
   17   HG23  THR   3          HG23      THR   3   7.058  -3.046  -0.163
   18    HA   PRO   4           HA       PRO   4   5.044  -6.507  -1.861
   19    HB2  PRO   4           HB3      PRO   4   7.304  -7.956  -1.120
   20    HB3  PRO   4           HB2      PRO   4   6.704  -7.726  -2.782
   21    HG2  PRO   4           HG3      PRO   4   8.854  -6.177  -1.328
   22    HG3  PRO   4           HG2      PRO   4   8.904  -6.858  -2.979
   23    HD2  PRO   4           HD3      PRO   4   8.342  -4.260  -2.648
   24    HD3  PRO   4           HD2      PRO   4   7.420  -5.223  -3.817
   25    H    MET   5           H        MET   5   5.882  -4.305   0.470
   26    HA   MET   5           HA       MET   5   5.847  -6.271   2.758
   27    HB2  MET   5           HB3      MET   5   7.169  -3.615   2.353
   28    HB3  MET   5           HB2      MET   5   6.454  -3.875   3.932
   29    HG2  MET   5           HG3      MET   5   8.742  -4.480   4.037
   30    HG3  MET   5           HG2      MET   5   7.751  -5.910   4.268
   31    HE1  MET   5           HE1      MET   5   8.444  -4.781   0.329
   32    HE2  MET   5           HE2      MET   5   9.340  -3.789   1.486
   33    HE3  MET   5           HE3      MET   5  10.203  -4.966   0.458
   34    H    VAL   6           H        VAL   6   4.670  -5.295   4.833
   35    HA   VAL   6           HA       VAL   6   2.037  -4.273   3.823
   36    HB   VAL   6           HB       VAL   6   2.081  -6.633   4.387
   37   HG11  VAL   6          HG11      VAL   6   3.660  -6.646   6.281
   38   HG12  VAL   6          HG12      VAL   6   2.497  -5.741   7.270
   39   HG13  VAL   6          HG13      VAL   6   2.117  -7.383   6.718
   40   HG21  VAL   6          HG21      VAL   6   0.282  -5.032   6.241
   41   HG22  VAL   6          HG22      VAL   6  -0.007  -5.302   4.502
   42   HG23  VAL   6          HG23      VAL   6   0.012  -6.670   5.625
   43    H    GLY   7           H        GLY   7   0.880  -2.793   4.771
   44    HA2  GLY   7           HA3      GLY   7   0.289  -1.163   6.459
   45    HA3  GLY   7           HA2      GLY   7   1.891  -1.346   7.186
   46    H    LEU   8           H        LEU   8   1.628   1.025   7.048
   47    HA   LEU   8           HA       LEU   8   2.191   3.070   6.411
   48    HB2  LEU   8           HB3      LEU   8   4.301   1.454   5.557
   49    HB3  LEU   8           HB2      LEU   8   3.956   2.398   4.137
   50    HG   LEU   8           HG       LEU   8   5.707   3.411   5.417
   51   HD11  LEU   8          HD11      LEU   8   4.927   5.669   5.771
   52   HD12  LEU   8          HD12      LEU   8   3.240   5.127   5.860
   53   HD13  LEU   8          HD13      LEU   8   4.136   4.995   4.334
   54   HD21  LEU   8          HD21      LEU   8   5.435   4.210   7.724
   55   HD22  LEU   8          HD22      LEU   8   5.191   2.453   7.617
   56   HD23  LEU   8          HD23      LEU   8   3.802   3.542   7.785
   57    H    ASP   9           H        ASP   9   1.382   1.190   3.551
   58    HA   ASP   9           HA       ASP   9   0.489   3.319   1.875
   59    HB2  ASP   9           HB2      ASP   9   0.635   0.455   1.787
   60    HB3  ASP   9           HB3      ASP   9  -1.048   0.869   1.546
   61    H    SER  10           H        SER  10  -1.221   4.564   1.963
   62    HA   SER  10           HA       SER  10  -2.169   5.143   4.448
   63    HB2  SER  10           HB3      SER  10  -3.347   5.932   1.772
   64    HB3  SER  10           HB2      SER  10  -3.855   6.667   3.308
   65    HG   SER  10           HG       SER  10  -1.105   6.532   2.698
   66    H    VAL  11           H        VAL  11  -3.751   2.844   2.524
   67    HA   VAL  11           HA       VAL  11  -5.175   1.999   4.847
   68    HB   VAL  11           HB       VAL  11  -6.917   2.316   2.354
   69   HG11  VAL  11          HG11      VAL  11  -7.456   1.067   5.087
   70   HG12  VAL  11          HG12      VAL  11  -8.700   1.374   3.854
   71   HG13  VAL  11          HG13      VAL  11  -7.408   0.218   3.529
   72   HG21  VAL  11          HG21      VAL  11  -6.842   4.458   3.527
   73   HG22  VAL  11          HG22      VAL  11  -8.413   3.688   3.759
   74   HG23  VAL  11          HG23      VAL  11  -7.209   3.658   5.070
   75    H    SER  12           H        SER  12  -5.275   1.413   1.374
   76    HA   SER  12           HA       SER  12  -3.470  -0.813   1.250
   77    HB2  SER  12           HB3      SER  12  -6.444  -1.471   1.031
   78    HB3  SER  12           HB2      SER  12  -5.125  -2.533   0.513
   79    HG   SER  12           HG       SER  12  -4.925  -1.605   3.113
   80    H    GLY  13           H        GLY  13  -2.779   0.865  -0.386
   81    HA2  GLY  13           HA3      GLY  13  -4.396   0.922  -2.886
   82    HA3  GLY  13           HA2      GLY  13  -2.865   1.769  -2.590
   83    H    GLN  14           H        GLN  14  -1.283  -0.034  -1.587
   84    HA   GLN  14           HA       GLN  14  -1.610  -2.779  -2.579
   85    HB2  GLN  14           HB3      GLN  14   0.499  -0.904  -3.554
   86    HB3  GLN  14           HB2      GLN  14   1.110  -2.468  -3.047
   87    HG2  GLN  14           HG3      GLN  14  -1.126  -2.170  -5.070
   88    HG3  GLN  14           HG2      GLN  14   0.584  -2.218  -5.483
   89   HE21  GLN  14          HE21      GLN  14   1.754  -4.289  -4.067
   90   HE22  GLN  14          HE22      GLN  14   0.773  -5.720  -4.433
   91    H    TYR  15           H        TYR  15   1.316  -1.419  -1.297
   92    HA   TYR  15           HA       TYR  15   1.368  -2.905   1.219
   93    HB2  TYR  15           HB3      TYR  15   2.021  -3.968  -1.537
   94    HB3  TYR  15           HB2      TYR  15   2.989  -4.518  -0.209
   95    HD1  TYR  15           HD1      TYR  15   0.732  -4.805   1.906
   96    HD2  TYR  15           HD2      TYR  15   1.178  -6.082  -2.172
   97    HE1  TYR  15           HE1      TYR  15  -0.799  -6.702   2.340
   98    HE2  TYR  15           HE2      TYR  15  -0.363  -8.001  -1.736
   99    HH   TYR  15           HH       TYR  15  -1.850  -8.482   1.459
  100    H    TRP  16           H        TRP  16   2.305  -0.917   1.897
  101    HA   TRP  16           HA       TRP  16   4.063   0.071   2.874
  102    HB2  TRP  16           HB3      TRP  16   4.999  -2.216   2.571
  103    HB3  TRP  16           HB2      TRP  16   5.956  -1.580   1.256
  104    HD1  TRP  16           HD1      TRP  16   8.301  -0.952   1.958
  105    HE1  TRP  16           HE1      TRP  16   9.540  -0.635   4.181
  106    HE3  TRP  16           HE3      TRP  16   4.360  -1.227   5.169
  107    HZ2  TRP  16           HZ2      TRP  16   8.856  -0.052   6.929
  108    HZ3  TRP  16           HZ3      TRP  16   4.668  -0.791   7.598
  109    HH2  TRP  16           HH2      TRP  16   6.907  -0.160   8.482
  110    H    ASP  17           H        ASP  17   3.283   2.007   1.816
  111    HA   ASP  17           HA       ASP  17   4.739   3.418  -0.210
  112    HB2  ASP  17           HB3      ASP  17   2.776   4.055   1.977
  113    HB3  ASP  17           HB2      ASP  17   3.709   5.395   1.363
  114    H    GLN  18           H        GLN  18   6.506   2.186   2.013
  115    HA   GLN  18           HA       GLN  18   7.579   4.536   3.411
  116    HB2  GLN  18           HB3      GLN  18   7.509   2.191   4.381
  117    HB3  GLN  18           HB2      GLN  18   8.754   1.749   3.199
  118    HG2  GLN  18           HG3      GLN  18   9.643   2.210   5.489
  119    HG3  GLN  18           HG2      GLN  18  10.372   3.206   4.235
  120   HE21  GLN  18          HE21      GLN  18   7.759   3.294   6.744
  121   HE22  GLN  18          HE22      GLN  18   7.898   5.038   6.955
  122    H    HIS  19           H        HIS  19   9.460   5.559   3.001
  123    HA   HIS  19           HA       HIS  19  10.598   5.565   0.355
  124    HB2  HIS  19           HB3      HIS  19  11.872   7.389   1.032
  125    HB3  HIS  19           HB2      HIS  19  10.375   7.545   1.922
  126    HD1  HIS  19           HD1      HIS  19  10.675   6.618   4.690
  127    HD2  HIS  19           HD2      HIS  19  14.084   7.357   2.311
  128    HE1  HIS  19           HE1      HIS  19  12.634   6.875   6.320
  129    HE2  HIS  19           HE2      HIS  19  14.744   7.301   4.856
  130    H    ALA  20           H        ALA  20  11.000   2.901   1.532
  131    HA   ALA  20           HA       ALA  20  13.950   2.649   1.432
  132    HB1  ALA  20           HB1      ALA  20  13.938   1.158   3.397
  133    HB2  ALA  20           HB2      ALA  20  13.270   2.737   3.847
  134    HB3  ALA  20           HB3      ALA  20  12.190   1.350   3.567
  135    HA   PRO  21           HA       PRO  21  12.842  -0.507  -1.406
  136    HB2  PRO  21           HB3      PRO  21  14.924  -2.299  -1.294
  137    HB3  PRO  21           HB2      PRO  21  15.079  -0.647  -1.967
  138    HG2  PRO  21           HG3      PRO  21  15.783  -1.588   0.839
  139    HG3  PRO  21           HG2      PRO  21  16.788  -0.616  -0.285
  140    HD2  PRO  21           HD3      PRO  21  15.324   0.552   1.670
  141    HD3  PRO  21           HD2      PRO  21  15.456   1.316   0.055
  142    H    LEU  22           H        LEU  22  13.553  -1.609   1.858
  143    HA   LEU  22           HA       LEU  22  11.256  -3.282   1.920
  144    HB2  LEU  22           HB3      LEU  22  12.343  -5.368   2.606
  145    HB3  LEU  22           HB2      LEU  22  12.764  -4.911   0.979
  146    HG   LEU  22           HG       LEU  22  14.860  -3.756   2.431
  147   HD11  LEU  22          HD11      LEU  22  14.119  -4.896   4.518
  148   HD12  LEU  22          HD12      LEU  22  15.685  -5.511   3.950
  149   HD13  LEU  22          HD13      LEU  22  14.204  -6.452   3.684
  150   HD21  LEU  22          HD21      LEU  22  15.088  -5.015   0.342
  151   HD22  LEU  22          HD22      LEU  22  14.739  -6.528   1.203
  152   HD23  LEU  22          HD23      LEU  22  16.217  -5.620   1.570
  153    H    ALA  23           H        ALA  23  11.241  -4.362   4.259
  154    HA   ALA  23           HA       ALA  23  12.612  -2.823   6.314
  155    HB1  ALA  23           HB1      ALA  23   9.592  -2.568   6.031
  156    HB2  ALA  23           HB2      ALA  23  10.579  -1.912   7.352
  157    HB3  ALA  23           HB3      ALA  23  10.781  -1.270   5.714
  158    H    ASP  24           H        ASP  24  11.525  -5.754   5.290
  159    HA   ASP  24           HA       ASP  24  11.424  -7.073   7.825
  160    HB2  ASP  24           HB3      ASP  24   9.008  -6.414   6.993
  161    HB3  ASP  24           HB2      ASP  24   9.287  -7.577   5.713
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   2.070   0.782   0.262
    2    HA2  GLY   1           HA3      GLY   1   1.279   2.178  -2.261
    3    HA3  GLY   1           HA2      GLY   1   2.788   2.550  -1.435
    4    HA   PRO   2           HA       PRO   2   3.233  -0.957  -4.495
    5    HB2  PRO   2           HB3      PRO   2   4.850   0.068  -6.419
    6    HB3  PRO   2           HB2      PRO   2   3.100   0.423  -6.312
    7    HG2  PRO   2           HG3      PRO   2   5.392   2.114  -5.242
    8    HG3  PRO   2           HG2      PRO   2   4.028   2.643  -6.282
    9    HD2  PRO   2           HD3      PRO   2   4.010   2.943  -3.564
   10    HD3  PRO   2           HD2      PRO   2   2.509   2.561  -4.465
   11    H    THR   3           H        THR   3   4.355  -2.012  -2.671
   12    HA   THR   3           HA       THR   3   7.088  -2.779  -3.427
   13    HB   THR   3           HB       THR   3   6.326  -1.279  -0.940
   14    HG1  THR   3           HG1      THR   3   7.391  -0.452  -2.836
   15   HG21  THR   3          HG21      THR   3   8.341  -1.745   0.227
   16   HG22  THR   3          HG22      THR   3   8.918  -2.855  -0.966
   17   HG23  THR   3          HG23      THR   3   7.501  -3.283   0.048
   18    HA   PRO   4           HA       PRO   4   5.327  -6.646  -1.869
   19    HB2  PRO   4           HB3      PRO   4   7.419  -7.992  -0.619
   20    HB3  PRO   4           HB2      PRO   4   7.204  -7.808  -2.381
   21    HG2  PRO   4           HG3      PRO   4   8.865  -6.048  -0.537
   22    HG3  PRO   4           HG2      PRO   4   9.382  -6.864  -2.055
   23    HD2  PRO   4           HD3      PRO   4   8.629  -4.344  -2.257
   24    HD3  PRO   4           HD2      PRO   4   7.902  -5.502  -3.368
   25    H    MET   5           H        MET   5   5.985  -4.409   0.649
   26    HA   MET   5           HA       MET   5   5.526  -6.483   2.753
   27    HB2  MET   5           HB3      MET   5   7.621  -4.663   2.532
   28    HB3  MET   5           HB2      MET   5   6.574  -3.897   3.715
   29    HG2  MET   5           HG3      MET   5   8.156  -5.356   4.855
   30    HG3  MET   5           HG2      MET   5   6.537  -6.035   5.011
   31    HE1  MET   5           HE1      MET   5  10.101  -7.809   2.670
   32    HE2  MET   5           HE2      MET   5   9.472  -6.212   2.214
   33    HE3  MET   5           HE3      MET   5  10.139  -6.481   3.842
   34    H    VAL   6           H        VAL   6   4.625  -5.138   5.000
   35    HA   VAL   6           HA       VAL   6   1.955  -4.215   3.980
   36    HB   VAL   6           HB       VAL   6   1.978  -6.562   4.575
   37   HG11  VAL   6          HG11      VAL   6   2.019  -7.297   6.902
   38   HG12  VAL   6          HG12      VAL   6   3.568  -6.570   6.456
   39   HG13  VAL   6          HG13      VAL   6   2.418  -5.653   7.452
   40   HG21  VAL   6          HG21      VAL   6  -0.100  -6.527   5.812
   41   HG22  VAL   6          HG22      VAL   6   0.208  -4.879   6.386
   42   HG23  VAL   6          HG23      VAL   6  -0.070  -5.192   4.655
   43    H    GLY   7           H        GLY   7   0.939  -2.607   4.802
   44    HA2  GLY   7           HA3      GLY   7   0.287  -1.064   6.558
   45    HA3  GLY   7           HA2      GLY   7   1.884  -1.257   7.305
   46    H    LEU   8           H        LEU   8   1.502   1.144   7.188
   47    HA   LEU   8           HA       LEU   8   2.023   3.224   6.565
   48    HB2  LEU   8           HB3      LEU   8   4.151   1.672   5.580
   49    HB3  LEU   8           HB2      LEU   8   3.699   2.659   4.221
   50    HG   LEU   8           HG       LEU   8   5.483   3.675   5.428
   51   HD11  LEU   8          HD11      LEU   8   3.817   5.225   4.447
   52   HD12  LEU   8          HD12      LEU   8   4.651   5.907   5.855
   53   HD13  LEU   8          HD13      LEU   8   2.986   5.307   6.011
   54   HD21  LEU   8          HD21      LEU   8   5.016   2.637   7.645
   55   HD22  LEU   8          HD22      LEU   8   3.721   3.831   7.902
   56   HD23  LEU   8          HD23      LEU   8   5.401   4.368   7.733
   57    H    ASP   9           H        ASP   9   1.316   1.322   3.685
   58    HA   ASP   9           HA       ASP   9   0.394   3.361   1.963
   59    HB2  ASP   9           HB2      ASP   9   0.775   0.579   1.904
   60    HB3  ASP   9           HB3      ASP   9  -0.950   0.758   1.682
   61    H    SER  10           H        SER  10  -1.221   4.630   1.998
   62    HA   SER  10           HA       SER  10  -2.291   5.145   4.422
   63    HB2  SER  10           HB3      SER  10  -3.213   6.222   1.746
   64    HB3  SER  10           HB2      SER  10  -3.745   6.893   3.296
   65    HG   SER  10           HG       SER  10  -0.984   6.590   2.718
   66    H    VAL  11           H        VAL  11  -3.833   2.961   2.485
   67    HA   VAL  11           HA       VAL  11  -5.500   2.314   4.699
   68    HB   VAL  11           HB       VAL  11  -7.016   2.493   2.050
   69   HG11  VAL  11          HG11      VAL  11  -7.602   0.441   3.310
   70   HG12  VAL  11          HG12      VAL  11  -7.877   1.411   4.771
   71   HG13  VAL  11          HG13      VAL  11  -8.933   1.596   3.351
   72   HG21  VAL  11          HG21      VAL  11  -6.994   4.682   3.141
   73   HG22  VAL  11          HG22      VAL  11  -8.600   3.952   3.303
   74   HG23  VAL  11          HG23      VAL  11  -7.479   3.950   4.683
   75    H    SER  12           H        SER  12  -5.218   1.523   1.311
   76    HA   SER  12           HA       SER  12  -3.309  -0.536   1.356
   77    HB2  SER  12           HB3      SER  12  -6.180  -1.563   1.280
   78    HB3  SER  12           HB2      SER  12  -4.807  -2.452   0.593
   79    HG   SER  12           HG       SER  12  -4.778  -1.518   3.264
   80    H    GLY  13           H        GLY  13  -2.640   0.891  -0.380
   81    HA2  GLY  13           HA3      GLY  13  -4.307   0.947  -2.844
   82    HA3  GLY  13           HA2      GLY  13  -2.798   1.814  -2.547
   83    H    GLN  14           H        GLN  14  -1.171  -0.072  -1.596
   84    HA   GLN  14           HA       GLN  14  -1.505  -2.694  -2.832
   85    HB2  GLN  14           HB3      GLN  14   0.560  -0.803  -3.805
   86    HB3  GLN  14           HB2      GLN  14   1.252  -2.339  -3.309
   87    HG2  GLN  14           HG3      GLN  14  -1.033  -2.058  -5.286
   88    HG3  GLN  14           HG2      GLN  14   0.670  -2.280  -5.691
   89   HE21  GLN  14          HE21      GLN  14   1.551  -4.353  -3.928
   90   HE22  GLN  14          HE22      GLN  14   0.481  -5.716  -4.304
   91    H    TYR  15           H        TYR  15   1.568  -1.704  -1.499
   92    HA   TYR  15           HA       TYR  15   1.325  -3.089   1.059
   93    HB2  TYR  15           HB3      TYR  15   2.280  -4.258  -1.565
   94    HB3  TYR  15           HB2      TYR  15   3.078  -4.778  -0.118
   95    HD1  TYR  15           HD1      TYR  15   0.662  -4.948   1.780
   96    HD2  TYR  15           HD2      TYR  15   1.376  -6.303  -2.237
   97    HE1  TYR  15           HE1      TYR  15  -1.053  -6.696   2.082
   98    HE2  TYR  15           HE2      TYR  15  -0.370  -8.080  -1.942
   99    HH   TYR  15           HH       TYR  15  -2.165  -8.408   1.113
  100    H    TRP  16           H        TRP  16   2.276  -1.238   1.907
  101    HA   TRP  16           HA       TRP  16   4.000  -0.135   2.886
  102    HB2  TRP  16           HB3      TRP  16   5.221  -2.328   2.483
  103    HB3  TRP  16           HB2      TRP  16   6.052  -1.503   1.194
  104    HD1  TRP  16           HD1      TRP  16   8.294  -0.548   1.896
  105    HE1  TRP  16           HE1      TRP  16   9.554  -0.426   4.086
  106    HE3  TRP  16           HE3      TRP  16   4.390  -1.274   5.099
  107    HZ2  TRP  16           HZ2      TRP  16   8.887  -0.255   6.936
  108    HZ3  TRP  16           HZ3      TRP  16   4.706  -1.065   7.554
  109    HH2  TRP  16           HH2      TRP  16   6.949  -0.533   8.483
  110    H    ASP  17           H        ASP  17   3.897   1.895   2.548
  111    HA   ASP  17           HA       ASP  17   4.482   3.151  -0.086
  112    HB2  ASP  17           HB3      ASP  17   2.493   3.454   1.913
  113    HB3  ASP  17           HB2      ASP  17   3.408   4.923   2.000
  114    H    GLN  18           H        GLN  18   6.547   2.329   2.110
  115    HA   GLN  18           HA       GLN  18   7.352   4.929   3.184
  116    HB2  GLN  18           HB3      GLN  18   7.516   2.409   4.212
  117    HB3  GLN  18           HB2      GLN  18   9.143   2.564   3.534
  118    HG2  GLN  18           HG3      GLN  18   8.985   4.965   4.805
  119    HG3  GLN  18           HG2      GLN  18   7.804   4.090   5.774
  120   HE21  GLN  18          HE21      GLN  18   8.680   1.868   6.707
  121   HE22  GLN  18          HE22      GLN  18  10.404   1.898   7.083
  122    H    HIS  19           H        HIS  19   9.366   5.887   2.967
  123    HA   HIS  19           HA       HIS  19  10.676   6.104   0.503
  124    HB2  HIS  19           HB3      HIS  19  12.123   7.590   1.548
  125    HB3  HIS  19           HB2      HIS  19  10.645   7.723   2.482
  126    HD1  HIS  19           HD1      HIS  19  11.494   4.980   4.424
  127    HD2  HIS  19           HD2      HIS  19  13.770   8.396   3.362
  128    HE1  HIS  19           HE1      HIS  19  13.282   5.158   6.139
  129    HE2  HIS  19           HE2      HIS  19  14.715   7.245   5.544
  130    H    ALA  20           H        ALA  20  10.821   3.195   1.401
  131    HA   ALA  20           HA       ALA  20  13.663   2.692   0.930
  132    HB1  ALA  20           HB1      ALA  20  13.467   2.776   3.421
  133    HB2  ALA  20           HB2      ALA  20  12.187   1.538   3.346
  134    HB3  ALA  20           HB3      ALA  20  13.840   1.140   2.849
  135    HA   PRO  21           HA       PRO  21  11.732  -0.237  -1.699
  136    HB2  PRO  21           HB3      PRO  21  13.733  -2.024  -2.254
  137    HB3  PRO  21           HB2      PRO  21  13.813  -0.299  -2.721
  138    HG2  PRO  21           HG3      PRO  21  15.014  -1.610  -0.251
  139    HG3  PRO  21           HG2      PRO  21  15.831  -0.549  -1.448
  140    HD2  PRO  21           HD3      PRO  21  14.841   0.430   0.878
  141    HD3  PRO  21           HD2      PRO  21  14.722   1.371  -0.643
  142    H    LEU  22           H        LEU  22  12.136  -1.135   1.423
  143    HA   LEU  22           HA       LEU  22  10.387  -3.278   1.566
  144    HB2  LEU  22           HB3      LEU  22  11.913  -5.127   2.258
  145    HB3  LEU  22           HB2      LEU  22  11.929  -4.740   0.575
  146    HG   LEU  22           HG       LEU  22  14.104  -3.562   0.817
  147   HD11  LEU  22          HD11      LEU  22  14.126  -2.950   3.215
  148   HD12  LEU  22          HD12      LEU  22  15.504  -3.982   2.816
  149   HD13  LEU  22          HD13      LEU  22  14.116  -4.673   3.645
  150   HD21  LEU  22          HD21      LEU  22  15.424  -5.630   1.096
  151   HD22  LEU  22          HD22      LEU  22  13.964  -5.918   0.126
  152   HD23  LEU  22          HD23      LEU  22  14.018  -6.424   1.826
  153    H    ALA  23           H        ALA  23  11.630  -4.450   4.003
  154    HA   ALA  23           HA       ALA  23  12.467  -2.252   5.665
  155    HB1  ALA  23           HB1      ALA  23  10.059  -2.050   6.054
  156    HB2  ALA  23           HB2      ALA  23   9.915  -3.782   6.391
  157    HB3  ALA  23           HB3      ALA  23  10.836  -2.747   7.496
  158    H    ASP  24           H        ASP  24  11.046  -5.380   6.402
  159    HA   ASP  24           HA       ASP  24  13.339  -6.909   7.183
  160    HB2  ASP  24           HB3      ASP  24  10.793  -7.907   5.880
  161    HB3  ASP  24           HB2      ASP  24  11.759  -8.684   7.123
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   0.804  -0.841   0.910
    2    HA2  GLY   1           HA3      GLY   1   0.488   0.793  -1.505
    3    HA3  GLY   1           HA2      GLY   1   1.969   0.995  -0.551
    4    HA   PRO   2           HA       PRO   2   2.600  -2.569  -3.432
    5    HB2  PRO   2           HB3      PRO   2   4.022  -1.418  -5.355
    6    HB3  PRO   2           HB2      PRO   2   2.418  -0.748  -4.962
    7    HG2  PRO   2           HG3      PRO   2   5.119   0.262  -3.973
    8    HG3  PRO   2           HG2      PRO   2   3.785   1.198  -4.711
    9    HD2  PRO   2           HD3      PRO   2   4.166   0.815  -1.947
   10    HD3  PRO   2           HD2      PRO   2   2.636   1.284  -2.742
   11    H    THR   3           H        THR   3   4.079  -3.078  -1.093
   12    HA   THR   3           HA       THR   3   6.874  -3.535  -2.108
   13    HB   THR   3           HB       THR   3   7.840  -2.811  -0.165
   14    HG1  THR   3           HG1      THR   3   5.302  -3.015   1.060
   15   HG21  THR   3          HG21      THR   3   6.959  -0.639   0.477
   16   HG22  THR   3          HG22      THR   3   5.472  -0.950  -0.409
   17   HG23  THR   3          HG23      THR   3   7.004  -0.866  -1.293
   18    HA   PRO   4           HA       PRO   4   6.355  -7.712  -0.566
   19    HB2  PRO   4           HB3      PRO   4   8.771  -8.594   0.230
   20    HB3  PRO   4           HB2      PRO   4   8.503  -8.007  -1.434
   21    HG2  PRO   4           HG3      PRO   4   9.641  -6.461   0.913
   22    HG3  PRO   4           HG2      PRO   4  10.327  -6.635  -0.735
   23    HD2  PRO   4           HD3      PRO   4   8.788  -4.523   0.083
   24    HD3  PRO   4           HD2      PRO   4   8.817  -5.080  -1.619
   25    H    MET   5           H        MET   5   5.631  -5.612   1.430
   26    HA   MET   5           HA       MET   5   5.977  -7.133   3.968
   27    HB2  MET   5           HB3      MET   5   6.277  -4.126   3.679
   28    HB3  MET   5           HB2      MET   5   6.306  -5.029   5.201
   29    HG2  MET   5           HG3      MET   5   8.302  -6.286   4.312
   30    HG3  MET   5           HG2      MET   5   8.272  -5.235   2.892
   31    HE1  MET   5           HE1      MET   5  11.480  -3.942   4.605
   32    HE2  MET   5           HE2      MET   5  10.897  -5.616   4.469
   33    HE3  MET   5           HE3      MET   5  10.725  -4.498   3.094
   34    H    VAL   6           H        VAL   6   4.233  -5.448   5.597
   35    HA   VAL   6           HA       VAL   6   1.676  -5.494   4.136
   36    HB   VAL   6           HB       VAL   6   2.110  -7.850   4.739
   37   HG11  VAL   6          HG11      VAL   6   1.936  -8.644   7.026
   38   HG12  VAL   6          HG12      VAL   6   3.320  -7.554   6.873
   39   HG13  VAL   6          HG13      VAL   6   1.821  -6.983   7.639
   40   HG21  VAL   6          HG21      VAL   6  -0.273  -6.732   6.240
   41   HG22  VAL   6          HG22      VAL   6  -0.188  -6.979   4.478
   42   HG23  VAL   6          HG23      VAL   6  -0.062  -8.363   5.575
   43    H    GLY   7           H        GLY   7   0.011  -4.370   5.045
   44    HA2  GLY   7           HA3      GLY   7  -1.154  -3.090   6.600
   45    HA3  GLY   7           HA2      GLY   7   0.089  -3.410   7.818
   46    H    LEU   8           H        LEU   8  -0.576  -1.027   8.075
   47    HA   LEU   8           HA       LEU   8  -0.003   1.142   8.201
   48    HB2  LEU   8           HB3      LEU   8   2.329   0.188   8.221
   49    HB3  LEU   8           HB2      LEU   8   2.440   0.514   6.506
   50    HG   LEU   8           HG       LEU   8   3.643   2.085   7.912
   51   HD11  LEU   8          HD11      LEU   8   1.478   3.664   6.511
   52   HD12  LEU   8          HD12      LEU   8   2.736   2.778   5.645
   53   HD13  LEU   8          HD13      LEU   8   3.169   4.075   6.770
   54   HD21  LEU   8          HD21      LEU   8   2.100   2.163   9.841
   55   HD22  LEU   8          HD22      LEU   8   0.960   3.125   8.870
   56   HD23  LEU   8          HD23      LEU   8   2.562   3.771   9.255
   57    H    ASP   9           H        ASP   9   0.273  -0.112   4.943
   58    HA   ASP   9           HA       ASP   9   0.771   1.832   3.385
   59    HB2  ASP   9           HB2      ASP   9   0.200  -0.498   2.760
   60    HB3  ASP   9           HB3      ASP   9  -1.480  -0.019   2.655
   61    H    SER  10           H        SER  10   0.345   3.809   3.267
   62    HA   SER  10           HA       SER  10  -1.929   5.246   4.077
   63    HB2  SER  10           HB3      SER  10   0.432   6.049   3.908
   64    HB3  SER  10           HB2      SER  10   0.260   6.099   2.148
   65    HG   SER  10           HG       SER  10  -1.669   7.439   2.639
   66    H    VAL  11           H        VAL  11  -2.007   3.340   1.371
   67    HA   VAL  11           HA       VAL  11  -3.996   5.106  -0.022
   68    HB   VAL  11           HB       VAL  11  -2.219   3.007  -1.308
   69   HG11  VAL  11          HG11      VAL  11  -4.263   4.931  -2.504
   70   HG12  VAL  11          HG12      VAL  11  -3.140   3.921  -3.437
   71   HG13  VAL  11          HG13      VAL  11  -4.394   3.163  -2.449
   72   HG21  VAL  11          HG21      VAL  11  -1.228   4.980  -2.504
   73   HG22  VAL  11          HG22      VAL  11  -2.165   6.055  -1.443
   74   HG23  VAL  11          HG23      VAL  11  -0.902   5.011  -0.775
   75    H    SER  12           H        SER  12  -3.198   1.725   0.863
   76    HA   SER  12           HA       SER  12  -6.145   1.163   0.960
   77    HB2  SER  12           HB3      SER  12  -5.319   0.757  -1.326
   78    HB3  SER  12           HB2      SER  12  -4.135  -0.383  -0.702
   79    HG   SER  12           HG       SER  12  -6.104  -1.413   0.277
   80    H    GLY  13           H        GLY  13  -3.617   0.989   2.964
   81    HA2  GLY  13           HA3      GLY  13  -3.275  -0.208   4.910
   82    HA3  GLY  13           HA2      GLY  13  -4.632  -1.267   4.522
   83    H    GLN  14           H        GLN  14  -4.029  -2.480   2.375
   84    HA   GLN  14           HA       GLN  14  -2.754  -4.165   1.311
   85    HB2  GLN  14           HB3      GLN  14  -2.718  -1.378   0.666
   86    HB3  GLN  14           HB2      GLN  14  -1.178  -1.974   0.185
   87    HG2  GLN  14           HG3      GLN  14  -3.860  -3.105  -0.671
   88    HG3  GLN  14           HG2      GLN  14  -2.758  -2.132  -1.653
   89   HE21  GLN  14          HE21      GLN  14  -0.344  -3.193  -1.846
   90   HE22  GLN  14          HE22      GLN  14  -0.460  -4.958  -1.956
   91    H    TYR  15           H        TYR  15  -0.033  -3.368   0.260
   92    HA   TYR  15           HA       TYR  15   1.493  -5.027   2.149
   93    HB2  TYR  15           HB3      TYR  15   2.116  -4.401  -0.726
   94    HB3  TYR  15           HB2      TYR  15   2.858  -5.608   0.312
   95    HD1  TYR  15           HD1      TYR  15  -0.037  -6.580   1.410
   96    HD2  TYR  15           HD2      TYR  15   1.889  -6.098  -2.418
   97    HE1  TYR  15           HE1      TYR  15  -1.565  -8.265   0.433
   98    HE2  TYR  15           HE2      TYR  15   0.341  -7.814  -3.403
   99    HH   TYR  15           HH       TYR  15  -2.333  -9.140  -1.535
  100    H    TRP  16           H        TRP  16   1.321  -2.420   3.044
  101    HA   TRP  16           HA       TRP  16   2.555  -0.700   3.871
  102    HB2  TRP  16           HB3      TRP  16   3.614  -2.582   4.849
  103    HB3  TRP  16           HB2      TRP  16   4.551  -2.902   3.435
  104    HD1  TRP  16           HD1      TRP  16   6.704  -1.442   2.959
  105    HE1  TRP  16           HE1      TRP  16   8.455  -0.658   4.668
  106    HE3  TRP  16           HE3      TRP  16   3.839  -1.574   7.182
  107    HZ2  TRP  16           HZ2      TRP  16   8.586  -0.101   7.485
  108    HZ3  TRP  16           HZ3      TRP  16   4.807  -0.931   9.388
  109    HH2  TRP  16           HH2      TRP  16   7.176  -0.198   9.549
  110    H    ASP  17           H        ASP  17   4.342   0.883   3.673
  111    HA   ASP  17           HA       ASP  17   4.710   1.669   0.779
  112    HB2  ASP  17           HB3      ASP  17   4.517   3.574   3.130
  113    HB3  ASP  17           HB2      ASP  17   4.445   3.964   1.413
  114    H    GLN  18           H        GLN  18   6.367   1.205   3.772
  115    HA   GLN  18           HA       GLN  18   7.371   3.825   3.681
  116    HB2  GLN  18           HB3      GLN  18   6.352   2.277   5.575
  117    HB3  GLN  18           HB2      GLN  18   8.039   1.956   5.949
  118    HG2  GLN  18           HG3      GLN  18   6.846   4.762   5.685
  119    HG3  GLN  18           HG2      GLN  18   6.854   3.859   7.194
  120   HE21  GLN  18          HE21      GLN  18   8.935   3.343   8.216
  121   HE22  GLN  18          HE22      GLN  18  10.339   4.314   7.761
  122    H    HIS  19           H        HIS  19   8.740   2.950   1.727
  123    HA   HIS  19           HA       HIS  19  10.852   2.869   0.799
  124    HB2  HIS  19           HB3      HIS  19  11.164   5.020   0.437
  125    HB3  HIS  19           HB2      HIS  19   9.658   5.159   1.285
  126    HD1  HIS  19           HD1      HIS  19  10.456   5.386   4.285
  127    HD2  HIS  19           HD2      HIS  19  12.947   6.608   1.102
  128    HE1  HIS  19           HE1      HIS  19  12.379   6.707   5.323
  129    HE2  HIS  19           HE2      HIS  19  13.938   7.387   3.311
  130    H    ALA  20           H        ALA  20  11.469   1.061   2.102
  131    HA   ALA  20           HA       ALA  20  14.334   1.519   2.829
  132    HB1  ALA  20           HB1      ALA  20  13.235  -0.182   4.280
  133    HB2  ALA  20           HB2      ALA  20  12.657  -1.049   2.832
  134    HB3  ALA  20           HB3      ALA  20  14.388  -0.973   3.199
  135    HA   PRO  21           HA       PRO  21  14.944   0.651  -1.567
  136    HB2  PRO  21           HB3      PRO  21  17.261  -0.750  -1.802
  137    HB3  PRO  21           HB2      PRO  21  17.184   0.924  -1.191
  138    HG2  PRO  21           HG3      PRO  21  17.212  -1.623   0.476
  139    HG3  PRO  21           HG2      PRO  21  18.311  -0.210   0.601
  140    HD2  PRO  21           HD3      PRO  21  16.148  -0.400   2.196
  141    HD3  PRO  21           HD2      PRO  21  16.585   1.170   1.471
  142    H    LEU  22           H        LEU  22  13.045  -0.831  -0.633
  143    HA   LEU  22           HA       LEU  22  12.769  -3.014  -2.553
  144    HB2  LEU  22           HB3      LEU  22  11.592  -3.298   0.251
  145    HB3  LEU  22           HB2      LEU  22  11.523  -4.425  -1.087
  146    HG   LEU  22           HG       LEU  22  14.182  -4.496  -0.792
  147   HD11  LEU  22          HD11      LEU  22  14.295  -2.797   1.053
  148   HD12  LEU  22          HD12      LEU  22  14.803  -4.385   1.610
  149   HD13  LEU  22          HD13      LEU  22  13.180  -3.781   2.018
  150   HD21  LEU  22          HD21      LEU  22  13.874  -6.406   0.742
  151   HD22  LEU  22          HD22      LEU  22  12.667  -6.404  -0.544
  152   HD23  LEU  22          HD23      LEU  22  12.215  -5.866   1.092
  153    H    ALA  23           H        ALA  23  12.083  -0.073  -1.743
  154    HA   ALA  23           HA       ALA  23   9.325   0.353  -2.479
  155    HB1  ALA  23           HB1      ALA  23   9.198  -0.669  -0.170
  156    HB2  ALA  23           HB2      ALA  23  10.273   0.596   0.423
  157    HB3  ALA  23           HB3      ALA  23   8.669   1.031  -0.193
  158    H    ASP  24           H        ASP  24  12.394   1.384  -2.772
  159    HA   ASP  24           HA       ASP  24  12.139   4.222  -2.757
  160    HB2  ASP  24           HB3      ASP  24  12.739   3.350  -0.276
  161    HB3  ASP  24           HB2      ASP  24  14.309   3.058  -0.972
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1   2.077   0.609  -0.012
    2    HA2  GLY   1           HA3      GLY   1   1.287   2.199  -2.415
    3    HA3  GLY   1           HA2      GLY   1   2.858   2.352  -1.623
    4    HA   PRO   2           HA       PRO   2   2.876  -0.955  -4.923
    5    HB2  PRO   2           HB3      PRO   2   4.368   0.101  -6.926
    6    HB3  PRO   2           HB2      PRO   2   2.686   0.616  -6.608
    7    HG2  PRO   2           HG3      PRO   2   5.227   1.981  -5.643
    8    HG3  PRO   2           HG2      PRO   2   3.848   2.712  -6.532
    9    HD2  PRO   2           HD3      PRO   2   4.015   2.809  -3.798
   10    HD3  PRO   2           HD2      PRO   2   2.447   2.629  -4.643
   11    H    THR   3           H        THR   3   4.145  -1.714  -2.830
   12    HA   THR   3           HA       THR   3   6.740  -2.788  -3.757
   13    HB   THR   3           HB       THR   3   6.469  -0.643  -1.889
   14    HG1  THR   3           HG1      THR   3   8.652  -0.698  -2.074
   15   HG21  THR   3          HG21      THR   3   6.445  -2.562  -0.109
   16   HG22  THR   3          HG22      THR   3   7.526  -1.168   0.034
   17   HG23  THR   3          HG23      THR   3   8.169  -2.692  -0.543
   18    HA   PRO   4           HA       PRO   4   4.933  -6.307  -1.664
   19    HB2  PRO   4           HB3      PRO   4   6.961  -7.951  -0.897
   20    HB3  PRO   4           HB2      PRO   4   6.607  -7.523  -2.595
   21    HG2  PRO   4           HG3      PRO   4   8.663  -6.288  -0.747
   22    HG3  PRO   4           HG2      PRO   4   8.890  -6.864  -2.426
   23    HD2  PRO   4           HD3      PRO   4   8.461  -4.235  -1.906
   24    HD3  PRO   4           HD2      PRO   4   7.767  -5.023  -3.340
   25    H    MET   5           H        MET   5   6.302  -4.253   0.744
   26    HA   MET   5           HA       MET   5   5.889  -6.193   2.962
   27    HB2  MET   5           HB3      MET   5   7.179  -3.484   2.708
   28    HB3  MET   5           HB2      MET   5   6.508  -3.920   4.271
   29    HG2  MET   5           HG3      MET   5   8.840  -4.498   4.214
   30    HG3  MET   5           HG2      MET   5   7.857  -5.932   4.400
   31    HE1  MET   5           HE1      MET   5  10.173  -4.773   0.557
   32    HE2  MET   5           HE2      MET   5   8.446  -4.385   0.637
   33    HE3  MET   5           HE3      MET   5   9.562  -3.653   1.804
   34    H    VAL   6           H        VAL   6   4.571  -5.587   4.927
   35    HA   VAL   6           HA       VAL   6   1.992  -4.494   3.935
   36    HB   VAL   6           HB       VAL   6   2.024  -6.822   4.663
   37   HG11  VAL   6          HG11      VAL   6   2.072  -7.432   7.021
   38   HG12  VAL   6          HG12      VAL   6   3.605  -6.676   6.578
   39   HG13  VAL   6          HG13      VAL   6   2.393  -5.757   7.490
   40   HG21  VAL   6          HG21      VAL   6   0.225  -5.075   6.374
   41   HG22  VAL   6          HG22      VAL   6  -0.052  -5.470   4.658
   42   HG23  VAL   6          HG23      VAL   6  -0.058  -6.750   5.879
   43    H    GLY   7           H        GLY   7   0.887  -2.860   4.794
   44    HA2  GLY   7           HA3      GLY   7   0.283  -1.320   6.577
   45    HA3  GLY   7           HA2      GLY   7   1.909  -1.473   7.245
   46    H    LEU   8           H        LEU   8   1.423   0.963   7.085
   47    HA   LEU   8           HA       LEU   8   2.008   3.010   6.445
   48    HB2  LEU   8           HB3      LEU   8   4.153   1.428   5.703
   49    HB3  LEU   8           HB2      LEU   8   3.812   2.259   4.205
   50    HG   LEU   8           HG       LEU   8   5.513   3.364   5.417
   51   HD11  LEU   8          HD11      LEU   8   4.011   4.825   4.145
   52   HD12  LEU   8          HD12      LEU   8   4.777   5.635   5.522
   53   HD13  LEU   8          HD13      LEU   8   3.081   5.138   5.623
   54   HD21  LEU   8          HD21      LEU   8   3.602   3.736   7.741
   55   HD22  LEU   8          HD22      LEU   8   5.256   4.374   7.617
   56   HD23  LEU   8          HD23      LEU   8   4.985   2.619   7.683
   57    H    ASP   9           H        ASP   9   1.291   1.073   3.602
   58    HA   ASP   9           HA       ASP   9   0.598   3.183   1.829
   59    HB2  ASP   9           HB2      ASP   9   0.895   0.426   1.685
   60    HB3  ASP   9           HB3      ASP   9  -0.824   0.569   1.565
   61    H    SER  10           H        SER  10  -0.995   4.514   1.923
   62    HA   SER  10           HA       SER  10  -2.086   5.253   4.147
   63    HB2  SER  10           HB3      SER  10  -2.018   6.504   2.016
   64    HB3  SER  10           HB2      SER  10  -3.519   5.707   1.515
   65    HG   SER  10           HG       SER  10  -3.897   7.753   2.465
   66    H    VAL  11           H        VAL  11  -3.801   2.910   2.323
   67    HA   VAL  11           HA       VAL  11  -5.279   2.112   4.666
   68    HB   VAL  11           HB       VAL  11  -6.936   2.545   2.137
   69   HG11  VAL  11          HG11      VAL  11  -8.819   1.670   3.493
   70   HG12  VAL  11          HG12      VAL  11  -7.561   0.447   3.319
   71   HG13  VAL  11          HG13      VAL  11  -7.703   1.349   4.842
   72   HG21  VAL  11          HG21      VAL  11  -8.343   4.006   3.576
   73   HG22  VAL  11          HG22      VAL  11  -7.149   3.833   4.888
   74   HG23  VAL  11          HG23      VAL  11  -6.710   4.649   3.377
   75    H    SER  12           H        SER  12  -5.270   1.548   1.184
   76    HA   SER  12           HA       SER  12  -3.442  -0.595   1.058
   77    HB2  SER  12           HB3      SER  12  -6.375  -1.419   1.068
   78    HB3  SER  12           HB2      SER  12  -5.120  -2.369   0.263
   79    HG   SER  12           HG       SER  12  -4.829  -1.596   2.954
   80    H    GLY  13           H        GLY  13  -2.672   0.743  -0.650
   81    HA2  GLY  13           HA3      GLY  13  -4.280   0.804  -3.175
   82    HA3  GLY  13           HA2      GLY  13  -2.726   1.604  -2.872
   83    H    GLN  14           H        GLN  14  -1.237  -0.220  -1.742
   84    HA   GLN  14           HA       GLN  14  -1.530  -2.946  -2.749
   85    HB2  GLN  14           HB3      GLN  14   0.574  -1.093  -3.755
   86    HB3  GLN  14           HB2      GLN  14   1.192  -2.639  -3.204
   87    HG2  GLN  14           HG3      GLN  14  -1.017  -2.391  -5.279
   88    HG3  GLN  14           HG2      GLN  14   0.700  -2.413  -5.665
   89   HE21  GLN  14          HE21      GLN  14   1.841  -4.451  -4.147
   90   HE22  GLN  14          HE22      GLN  14   0.919  -5.912  -4.555
   91    H    TYR  15           H        TYR  15   1.388  -1.505  -1.453
   92    HA   TYR  15           HA       TYR  15   1.289  -2.712   1.217
   93    HB2  TYR  15           HB3      TYR  15   2.323  -3.903  -1.334
   94    HB3  TYR  15           HB2      TYR  15   3.186  -4.294   0.119
   95    HD1  TYR  15           HD1      TYR  15   0.912  -4.741   2.053
   96    HD2  TYR  15           HD2      TYR  15   1.440  -5.874  -2.055
   97    HE1  TYR  15           HE1      TYR  15  -0.686  -6.628   2.371
   98    HE2  TYR  15           HE2      TYR  15  -0.160  -7.764  -1.747
   99    HH   TYR  15           HH       TYR  15  -1.781  -8.317   1.367
  100    H    TRP  16           H        TRP  16   2.304  -0.982   2.177
  101    HA   TRP  16           HA       TRP  16   3.902   0.373   2.953
  102    HB2  TRP  16           HB3      TRP  16   4.793  -1.886   3.091
  103    HB3  TRP  16           HB2      TRP  16   5.762  -1.599   1.678
  104    HD1  TRP  16           HD1      TRP  16   8.045  -0.311   2.094
  105    HE1  TRP  16           HE1      TRP  16   9.408  -0.011   4.246
  106    HE3  TRP  16           HE3      TRP  16   4.390  -1.252   5.507
  107    HZ2  TRP  16           HZ2      TRP  16   8.882   0.110   7.120
  108    HZ3  TRP  16           HZ3      TRP  16   4.822  -1.052   7.938
  109    HH2  TRP  16           HH2      TRP  16   7.052  -0.330   8.759
  110    H    ASP  17           H        ASP  17   3.187   2.142   1.642
  111    HA   ASP  17           HA       ASP  17   4.648   3.399  -0.450
  112    HB2  ASP  17           HB3      ASP  17   2.814   4.250   1.791
  113    HB3  ASP  17           HB2      ASP  17   3.703   5.506   0.958
  114    H    GLN  18           H        GLN  18   6.320   2.375   2.090
  115    HA   GLN  18           HA       GLN  18   7.365   4.885   3.200
  116    HB2  GLN  18           HB3      GLN  18   7.058   2.348   4.207
  117    HB3  GLN  18           HB2      GLN  18   8.748   2.304   3.746
  118    HG2  GLN  18           HG3      GLN  18   8.186   4.757   5.255
  119    HG3  GLN  18           HG2      GLN  18   7.601   3.343   6.127
  120   HE21  GLN  18          HE21      GLN  18   9.079   2.180   7.322
  121   HE22  GLN  18          HE22      GLN  18  10.819   2.328   7.093
  122    H    HIS  19           H        HIS  19   9.416   5.673   3.010
  123    HA   HIS  19           HA       HIS  19  10.756   5.487   0.539
  124    HB2  HIS  19           HB3      HIS  19  12.161   7.195   1.303
  125    HB3  HIS  19           HB2      HIS  19  10.619   7.478   2.082
  126    HD1  HIS  19           HD1      HIS  19  11.559   5.098   4.461
  127    HD2  HIS  19           HD2      HIS  19  13.426   8.656   3.149
  128    HE1  HIS  19           HE1      HIS  19  13.096   5.817   6.348
  129    HE2  HIS  19           HE2      HIS  19  14.258   8.000   5.566
  130    H    ALA  20           H        ALA  20  10.993   2.777   1.785
  131    HA   ALA  20           HA       ALA  20  13.943   2.487   1.640
  132    HB1  ALA  20           HB1      ALA  20  13.355   2.608   4.040
  133    HB2  ALA  20           HB2      ALA  20  12.195   1.277   3.822
  134    HB3  ALA  20           HB3      ALA  20  13.930   0.987   3.597
  135    HA   PRO  21           HA       PRO  21  12.734  -0.648  -1.159
  136    HB2  PRO  21           HB3      PRO  21  14.947  -2.240  -1.350
  137    HB3  PRO  21           HB2      PRO  21  14.918  -0.542  -1.909
  138    HG2  PRO  21           HG3      PRO  21  15.943  -1.593   0.753
  139    HG3  PRO  21           HG2      PRO  21  16.768  -0.484  -0.390
  140    HD2  PRO  21           HD3      PRO  21  15.386   0.445   1.760
  141    HD3  PRO  21           HD2      PRO  21  15.366   1.319   0.196
  142    H    LEU  22           H        LEU  22  13.851  -1.771   1.980
  143    HA   LEU  22           HA       LEU  22  11.606  -3.576   2.131
  144    HB2  LEU  22           HB3      LEU  22  14.391  -4.560   2.902
  145    HB3  LEU  22           HB2      LEU  22  12.879  -5.303   3.358
  146    HG   LEU  22           HG       LEU  22  12.454  -5.360   0.714
  147   HD11  LEU  22          HD11      LEU  22  15.487  -5.615   0.985
  148   HD12  LEU  22          HD12      LEU  22  14.643  -4.307   0.132
  149   HD13  LEU  22          HD13      LEU  22  14.524  -5.963  -0.470
  150   HD21  LEU  22          HD21      LEU  22  12.413  -7.291   2.233
  151   HD22  LEU  22          HD22      LEU  22  14.175  -7.362   2.231
  152   HD23  LEU  22          HD23      LEU  22  13.261  -7.678   0.730
  153    H    ALA  23           H        ALA  23  11.414  -4.241   4.520
  154    HA   ALA  23           HA       ALA  23  12.583  -2.432   6.494
  155    HB1  ALA  23           HB1      ALA  23   9.574  -2.476   6.009
  156    HB2  ALA  23           HB2      ALA  23  10.402  -1.660   7.350
  157    HB3  ALA  23           HB3      ALA  23  10.670  -1.103   5.680
  158    H    ASP  24           H        ASP  24  11.718  -5.469   5.608
  159    HA   ASP  24           HA       ASP  24  11.693  -6.742   8.154
  160    HB2  ASP  24           HB3      ASP  24   9.242  -6.221   7.346
  161    HB3  ASP  24           HB2      ASP  24   9.576  -7.339   6.039
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   1.169  -0.527   0.509
    2    HA2  GLY   1           HA3      GLY   1   0.453   0.852  -2.003
    3    HA3  GLY   1           HA2      GLY   1   2.088   1.000  -1.324
    4    HA   PRO   2           HA       PRO   2   2.087  -2.844  -3.926
    5    HB2  PRO   2           HB3      PRO   2   3.846  -2.183  -5.827
    6    HB3  PRO   2           HB2      PRO   2   2.306  -1.271  -5.693
    7    HG2  PRO   2           HG3      PRO   2   5.022  -0.496  -4.534
    8    HG3  PRO   2           HG2      PRO   2   3.957   0.489  -5.585
    9    HD2  PRO   2           HD3      PRO   2   3.919   0.625  -2.818
   10    HD3  PRO   2           HD2      PRO   2   2.480   0.935  -3.833
   11    H    THR   3           H        THR   3   4.446  -1.763  -1.788
   12    HA   THR   3           HA       THR   3   6.846  -2.955  -2.782
   13    HB   THR   3           HB       THR   3   7.869  -1.997  -0.901
   14    HG1  THR   3           HG1      THR   3   5.328  -2.253   0.297
   15   HG21  THR   3          HG21      THR   3   5.360  -0.289  -0.995
   16   HG22  THR   3          HG22      THR   3   6.632  -0.228  -2.237
   17   HG23  THR   3          HG23      THR   3   6.997   0.190  -0.559
   18    HA   PRO   4           HA       PRO   4   6.670  -7.027  -1.176
   19    HB2  PRO   4           HB3      PRO   4   9.159  -7.793  -0.442
   20    HB3  PRO   4           HB2      PRO   4   8.813  -7.153  -2.071
   21    HG2  PRO   4           HG3      PRO   4   9.840  -5.619   0.329
   22    HG3  PRO   4           HG2      PRO   4  10.586  -5.703  -1.300
   23    HD2  PRO   4           HD3      PRO   4   8.927  -3.683  -0.559
   24    HD3  PRO   4           HD2      PRO   4   8.912  -4.311  -2.235
   25    H    MET   5           H        MET   5   5.774  -5.203   0.943
   26    HA   MET   5           HA       MET   5   6.102  -6.990   3.298
   27    HB2  MET   5           HB3      MET   5   6.545  -3.995   3.464
   28    HB3  MET   5           HB2      MET   5   6.362  -5.071   4.856
   29    HG2  MET   5           HG3      MET   5   8.328  -6.385   3.950
   30    HG3  MET   5           HG2      MET   5   8.570  -5.078   2.781
   31    HE1  MET   5           HE1      MET   5  10.667  -6.288   5.010
   32    HE2  MET   5           HE2      MET   5  11.042  -5.167   3.687
   33    HE3  MET   5           HE3      MET   5  11.527  -4.763   5.347
   34    H    VAL   6           H        VAL   6   4.442  -5.256   5.082
   35    HA   VAL   6           HA       VAL   6   1.849  -5.191   3.704
   36    HB   VAL   6           HB       VAL   6   2.159  -7.566   4.283
   37   HG11  VAL   6          HG11      VAL   6   3.498  -7.353   6.346
   38   HG12  VAL   6          HG12      VAL   6   2.106  -6.656   7.195
   39   HG13  VAL   6          HG13      VAL   6   2.047  -8.330   6.604
   40   HG21  VAL   6          HG21      VAL   6   0.002  -7.950   5.240
   41   HG22  VAL   6          HG22      VAL   6  -0.069  -6.322   5.935
   42   HG23  VAL   6          HG23      VAL   6  -0.109  -6.547   4.171
   43    H    GLY   7           H        GLY   7   0.268  -3.987   4.726
   44    HA2  GLY   7           HA3      GLY   7  -0.755  -2.691   6.368
   45    HA3  GLY   7           HA2      GLY   7   0.584  -3.000   7.489
   46    H    LEU   8           H        LEU   8   0.017  -0.582   7.699
   47    HA   LEU   8           HA       LEU   8   0.656   1.577   7.641
   48    HB2  LEU   8           HB3      LEU   8   2.995   0.411   7.168
   49    HB3  LEU   8           HB2      LEU   8   2.805   1.137   5.591
   50    HG   LEU   8           HG       LEU   8   4.158   2.591   6.816
   51   HD11  LEU   8          HD11      LEU   8   3.010   4.689   7.042
   52   HD12  LEU   8          HD12      LEU   8   1.440   3.894   7.193
   53   HD13  LEU   8          HD13      LEU   8   2.316   3.841   5.656
   54   HD21  LEU   8          HD21      LEU   8   3.740   1.640   9.040
   55   HD22  LEU   8          HD22      LEU   8   2.180   2.493   9.123
   56   HD23  LEU   8          HD23      LEU   8   3.698   3.414   9.067
   57    H    ASP   9           H        ASP   9   0.860   0.306   4.364
   58    HA   ASP   9           HA       ASP   9   0.889   2.211   2.672
   59    HB2  ASP   9           HB2      ASP   9   0.437  -0.239   2.311
   60    HB3  ASP   9           HB3      ASP   9  -1.269   0.179   2.267
   61    H    SER  10           H        SER  10   0.230   4.239   2.824
   62    HA   SER  10           HA       SER  10  -2.014   5.211   4.107
   63    HB2  SER  10           HB3      SER  10  -0.422   6.520   1.864
   64    HB3  SER  10           HB2      SER  10  -1.454   7.362   3.026
   65    HG   SER  10           HG       SER  10   0.981   5.971   3.510
   66    H    VAL  11           H        VAL  11  -2.296   3.628   1.206
   67    HA   VAL  11           HA       VAL  11  -4.618   5.265   0.224
   68    HB   VAL  11           HB       VAL  11  -2.768   3.419  -1.325
   69   HG11  VAL  11          HG11      VAL  11  -4.969   3.449  -2.386
   70   HG12  VAL  11          HG12      VAL  11  -5.034   5.221  -2.273
   71   HG13  VAL  11          HG13      VAL  11  -3.854   4.427  -3.334
   72   HG21  VAL  11          HG21      VAL  11  -1.983   5.523  -2.405
   73   HG22  VAL  11          HG22      VAL  11  -2.994   6.465  -1.284
   74   HG23  VAL  11          HG23      VAL  11  -1.622   5.512  -0.685
   75    H    SER  12           H        SER  12  -3.622   1.985   1.156
   76    HA   SER  12           HA       SER  12  -6.478   1.159   1.255
   77    HB2  SER  12           HB3      SER  12  -4.513  -0.020  -0.730
   78    HB3  SER  12           HB2      SER  12  -5.991  -0.862  -0.236
   79    HG   SER  12           HG       SER  12  -6.337   1.783  -0.951
   80    H    GLY  13           H        GLY  13  -3.725   1.119   2.986
   81    HA2  GLY  13           HA3      GLY  13  -3.241  -0.077   4.907
   82    HA3  GLY  13           HA2      GLY  13  -4.492  -1.266   4.527
   83    H    GLN  14           H        GLN  14  -3.912  -2.325   2.327
   84    HA   GLN  14           HA       GLN  14  -2.576  -3.897   1.198
   85    HB2  GLN  14           HB3      GLN  14  -2.725  -1.086   0.560
   86    HB3  GLN  14           HB2      GLN  14  -1.240  -1.677  -0.102
   87    HG2  GLN  14           HG3      GLN  14  -4.009  -2.792  -0.601
   88    HG3  GLN  14           HG2      GLN  14  -3.002  -1.894  -1.737
   89   HE21  GLN  14          HE21      GLN  14  -0.588  -3.099  -2.033
   90   HE22  GLN  14          HE22      GLN  14  -0.808  -4.851  -2.075
   91    H    TYR  15           H        TYR  15   0.042  -2.931  -0.031
   92    HA   TYR  15           HA       TYR  15   1.739  -4.480   1.825
   93    HB2  TYR  15           HB3      TYR  15   2.069  -4.152  -1.149
   94    HB3  TYR  15           HB2      TYR  15   2.931  -5.229  -0.077
   95    HD1  TYR  15           HD2      TYR  15   0.323  -6.187   1.480
   96    HD2  TYR  15           HD1      TYR  15   1.497  -5.903  -2.658
   97    HE1  TYR  15           HE2      TYR  15  -1.315  -7.970   0.892
   98    HE2  TYR  15           HE1      TYR  15  -0.135  -7.696  -3.241
   99    HH   TYR  15           HH       TYR  15  -1.766  -9.064  -2.455
  100    H    TRP  16           H        TRP  16   1.760  -2.181   2.834
  101    HA   TRP  16           HA       TRP  16   3.165  -0.578   3.636
  102    HB2  TRP  16           HB3      TRP  16   4.227  -2.694   4.013
  103    HB3  TRP  16           HB2      TRP  16   5.074  -2.596   2.503
  104    HD1  TRP  16           HD1      TRP  16   7.293  -1.363   2.427
  105    HE1  TRP  16           HE1      TRP  16   8.999  -0.944   4.272
  106    HE3  TRP  16           HE3      TRP  16   4.160  -1.510   6.450
  107    HZ2  TRP  16           HZ2      TRP  16   9.043  -0.769   7.142
  108    HZ3  TRP  16           HZ3      TRP  16   5.054  -1.185   8.752
  109    HH2  TRP  16           HH2      TRP  16   7.488  -0.845   9.120
  110    H    ASP  17           H        ASP  17   5.106   0.762   3.364
  111    HA   ASP  17           HA       ASP  17   4.428   2.581   1.070
  112    HB2  ASP  17           HB3      ASP  17   3.023   2.294   3.509
  113    HB3  ASP  17           HB2      ASP  17   4.059   3.655   3.821
  114    H    GLN  18           H        GLN  18   6.904   1.471   2.948
  115    HA   GLN  18           HA       GLN  18   7.569   4.118   4.081
  116    HB2  GLN  18           HB3      GLN  18   6.465   2.102   5.344
  117    HB3  GLN  18           HB2      GLN  18   8.131   1.582   5.550
  118    HG2  GLN  18           HG3      GLN  18   7.483   4.463   6.209
  119    HG3  GLN  18           HG2      GLN  18   6.758   3.241   7.229
  120   HE21  GLN  18          HE21      GLN  18   8.541   1.358   7.740
  121   HE22  GLN  18          HE22      GLN  18   9.985   2.101   8.459
  122    H    HIS  19           H        HIS  19   8.850   3.305   1.745
  123    HA   HIS  19           HA       HIS  19  10.770   3.972   0.806
  124    HB2  HIS  19           HB3      HIS  19  11.513   6.157   1.581
  125    HB3  HIS  19           HB2      HIS  19   9.767   5.966   1.401
  126    HD1  HIS  19           HD1      HIS  19  11.344   4.729   4.589
  127    HD2  HIS  19           HD2      HIS  19   9.258   8.022   3.022
  128    HE1  HIS  19           HE1      HIS  19  10.601   6.133   6.648
  129    HE2  HIS  19           HE2      HIS  19   9.320   8.177   5.666
  130    H    ALA  20           H        ALA  20  12.057   2.209   0.959
  131    HA   ALA  20           HA       ALA  20  14.671   2.604   1.778
  132    HB1  ALA  20           HB1      ALA  20  15.011   0.817   3.503
  133    HB2  ALA  20           HB2      ALA  20  13.871   2.021   4.110
  134    HB3  ALA  20           HB3      ALA  20  13.284   0.464   3.500
  135    HA   PRO  21           HA       PRO  21  14.876  -0.232  -1.520
  136    HB2  PRO  21           HB3      PRO  21  17.290  -1.567  -1.351
  137    HB3  PRO  21           HB2      PRO  21  17.102   0.179  -1.677
  138    HG2  PRO  21           HG3      PRO  21  17.617  -1.154   0.996
  139    HG3  PRO  21           HG2      PRO  21  18.512   0.214   0.252
  140    HD2  PRO  21           HD3      PRO  21  16.575   0.645   2.067
  141    HD3  PRO  21           HD2      PRO  21  16.723   1.718   0.647
  142    H    LEU  22           H        LEU  22  13.621  -1.449   0.918
  143    HA   LEU  22           HA       LEU  22  12.976  -4.045  -0.239
  144    HB2  LEU  22           HB3      LEU  22  13.714  -3.778   2.705
  145    HB3  LEU  22           HB2      LEU  22  12.967  -5.197   1.983
  146    HG   LEU  22           HG       LEU  22  15.736  -4.170   1.215
  147   HD11  LEU  22          HD11      LEU  22  15.673  -4.922   3.546
  148   HD12  LEU  22          HD12      LEU  22  16.578  -6.055   2.524
  149   HD13  LEU  22          HD13      LEU  22  14.921  -6.457   3.043
  150   HD21  LEU  22          HD21      LEU  22  14.684  -5.528  -0.563
  151   HD22  LEU  22          HD22      LEU  22  14.278  -6.789   0.616
  152   HD23  LEU  22          HD23      LEU  22  15.975  -6.435   0.220
  153    H    ALA  23           H        ALA  23  11.878  -1.238   0.175
  154    HA   ALA  23           HA       ALA  23   9.215  -1.668   1.306
  155    HB1  ALA  23           HB1      ALA  23   9.706   0.206   2.956
  156    HB2  ALA  23           HB2      ALA  23  10.660  -1.281   3.286
  157    HB3  ALA  23           HB3      ALA  23  11.389   0.129   2.480
  158    H    ASP  24           H        ASP  24  10.369  -0.979  -1.308
  159    HA   ASP  24           HA       ASP  24   9.279   1.667  -1.927
  160    HB2  ASP  24           HB3      ASP  24  11.813   0.450  -3.104
  161    HB3  ASP  24           HB2      ASP  24  11.057   1.960  -3.589
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   1.056   1.953   0.277
    2    HA2  GLY   1           HA3      GLY   1  -0.242   0.257  -1.502
    3    HA3  GLY   1           HA2      GLY   1   0.693   1.701  -1.831
    4    HA   PRO   2           HA       PRO   2   2.354  -1.548  -4.339
    5    HB2  PRO   2           HB3      PRO   2   3.578  -0.174  -6.308
    6    HB3  PRO   2           HB2      PRO   2   1.810  -0.139  -6.048
    7    HG2  PRO   2           HG3      PRO   2   3.864   1.867  -5.069
    8    HG3  PRO   2           HG2      PRO   2   2.344   2.194  -5.967
    9    HD2  PRO   2           HD3      PRO   2   2.480   2.370  -3.239
   10    HD3  PRO   2           HD2      PRO   2   1.019   1.765  -4.074
   11    H    THR   3           H        THR   3   3.717  -2.500  -2.770
   12    HA   THR   3           HA       THR   3   6.510  -2.793  -3.574
   13    HB   THR   3           HB       THR   3   5.597  -1.550  -0.981
   14    HG1  THR   3           HG1      THR   3   6.360  -0.429  -2.929
   15   HG21  THR   3          HG21      THR   3   8.425  -2.543  -1.347
   16   HG22  THR   3          HG22      THR   3   7.210  -3.256  -0.218
   17   HG23  THR   3          HG23      THR   3   7.782  -1.611  -0.018
   18    HA   PRO   4           HA       PRO   4   4.934  -6.711  -1.698
   19    HB2  PRO   4           HB3      PRO   4   7.050  -8.324  -1.339
   20    HB3  PRO   4           HB2      PRO   4   6.629  -7.679  -2.953
   21    HG2  PRO   4           HG3      PRO   4   8.668  -6.563  -0.996
   22    HG3  PRO   4           HG2      PRO   4   8.921  -7.001  -2.714
   23    HD2  PRO   4           HD3      PRO   4   8.360  -4.470  -1.987
   24    HD3  PRO   4           HD2      PRO   4   7.690  -5.149  -3.481
   25    H    MET   5           H        MET   5   6.033  -4.563   0.489
   26    HA   MET   5           HA       MET   5   6.522  -6.391   2.795
   27    HB2  MET   5           HB3      MET   5   7.044  -3.532   2.193
   28    HB3  MET   5           HB2      MET   5   6.371  -3.802   3.783
   29    HG2  MET   5           HG3      MET   5   8.773  -3.742   3.868
   30    HG3  MET   5           HG2      MET   5   8.131  -5.278   4.419
   31    HE1  MET   5           HE1      MET   5   9.513  -3.452   1.262
   32    HE2  MET   5           HE2      MET   5  10.404  -4.734   0.410
   33    HE3  MET   5           HE3      MET   5   8.639  -4.727   0.382
   34    H    VAL   6           H        VAL   6   5.186  -5.993   4.845
   35    HA   VAL   6           HA       VAL   6   2.325  -5.645   4.034
   36    HB   VAL   6           HB       VAL   6   2.939  -7.897   4.600
   37   HG11  VAL   6          HG11      VAL   6   3.319  -8.642   6.872
   38   HG12  VAL   6          HG12      VAL   6   4.606  -7.512   6.426
   39   HG13  VAL   6          HG13      VAL   6   3.281  -6.981   7.488
   40   HG21  VAL   6          HG21      VAL   6   0.965  -6.646   6.544
   41   HG22  VAL   6          HG22      VAL   6   0.638  -7.079   4.845
   42   HG23  VAL   6          HG23      VAL   6   1.021  -8.339   6.023
   43    H    GLY   7           H        GLY   7   1.325  -3.906   4.618
   44    HA2  GLY   7           HA3      GLY   7   0.291  -2.771   6.573
   45    HA3  GLY   7           HA2      GLY   7   1.896  -2.674   7.296
   46    H    LEU   8           H        LEU   8   1.557  -0.471   7.506
   47    HA   LEU   8           HA       LEU   8   1.880   1.705   7.138
   48    HB2  LEU   8           HB3      LEU   8   3.918   0.563   6.004
   49    HB3  LEU   8           HB2      LEU   8   3.200   1.061   4.493
   50    HG   LEU   8           HG       LEU   8   4.845   2.609   5.010
   51   HD11  LEU   8          HD11      LEU   8   2.695   3.709   4.344
   52   HD12  LEU   8          HD12      LEU   8   3.863   4.735   5.184
   53   HD13  LEU   8          HD13      LEU   8   2.450   4.106   6.060
   54   HD21  LEU   8          HD21      LEU   8   5.155   3.776   7.128
   55   HD22  LEU   8          HD22      LEU   8   5.224   2.017   7.345
   56   HD23  LEU   8          HD23      LEU   8   3.764   2.915   7.824
   57    H    ASP   9           H        ASP   9   0.896   0.452   3.920
   58    HA   ASP   9           HA       ASP   9   0.490   2.771   2.671
   59    HB2  ASP   9           HB2      ASP   9  -1.490   0.475   2.400
   60    HB3  ASP   9           HB3      ASP   9  -1.369   1.798   1.273
   61    H    SER  10           H        SER  10  -2.230   1.322   4.381
   62    HA   SER  10           HA       SER  10  -4.241   2.023   5.140
   63    HB2  SER  10           HB3      SER  10  -2.982   4.731   5.544
   64    HB3  SER  10           HB2      SER  10  -4.307   3.985   6.453
   65    HG   SER  10           HG       SER  10  -1.596   3.108   6.361
   66    H    VAL  11           H        VAL  11  -3.145   4.028   2.504
   67    HA   VAL  11           HA       VAL  11  -6.012   4.412   1.671
   68    HB   VAL  11           HB       VAL  11  -3.828   6.447   1.103
   69   HG11  VAL  11          HG11      VAL  11  -5.754   7.898   0.549
   70   HG12  VAL  11          HG12      VAL  11  -5.762   6.444  -0.455
   71   HG13  VAL  11          HG13      VAL  11  -6.877   6.567   0.921
   72   HG21  VAL  11          HG21      VAL  11  -4.133   6.522   3.505
   73   HG22  VAL  11          HG22      VAL  11  -4.960   7.902   2.790
   74   HG23  VAL  11          HG23      VAL  11  -5.904   6.490   3.331
   75    H    SER  12           H        SER  12  -2.653   4.407   0.473
   76    HA   SER  12           HA       SER  12  -3.143   3.699  -2.265
   77    HB2  SER  12           HB3      SER  12  -1.095   4.657  -0.851
   78    HB3  SER  12           HB2      SER  12  -0.740   2.942  -0.661
   79    HG   SER  12           HG       SER  12   0.410   3.819  -2.264
   80    H    GLY  13           H        GLY  13  -4.086   2.010   0.230
   81    HA2  GLY  13           HA3      GLY  13  -3.317  -0.234   1.114
   82    HA3  GLY  13           HA2      GLY  13  -4.923  -0.178   0.410
   83    H    GLN  14           H        GLN  14  -1.617  -1.303  -0.021
   84    HA   GLN  14           HA       GLN  14  -2.671  -3.572  -1.530
   85    HB2  GLN  14           HB3      GLN  14  -2.065  -1.846  -3.191
   86    HB3  GLN  14           HB2      GLN  14  -0.406  -1.848  -2.661
   87    HG2  GLN  14           HG3      GLN  14  -1.787  -4.377  -3.635
   88    HG3  GLN  14           HG2      GLN  14  -1.237  -3.163  -4.779
   89   HE21  GLN  14          HE21      GLN  14   1.385  -2.798  -2.835
   90   HE22  GLN  14          HE22      GLN  14   2.224  -4.250  -3.343
   91    H    TYR  15           H        TYR  15   0.680  -2.514  -0.958
   92    HA   TYR  15           HA       TYR  15   1.225  -4.212   1.280
   93    HB2  TYR  15           HB3      TYR  15   2.063  -5.172  -1.463
   94    HB3  TYR  15           HB2      TYR  15   2.959  -5.606  -0.044
   95    HD1  TYR  15           HD2      TYR  15   1.849  -6.855   1.824
   96    HD2  TYR  15           HD1      TYR  15   0.134  -6.449  -2.096
   97    HE1  TYR  15           HE2      TYR  15   0.339  -8.787   2.291
   98    HE2  TYR  15           HE1      TYR  15  -1.395  -8.370  -1.630
   99    HH   TYR  15           HH       TYR  15  -1.310 -10.085   1.487
  100    H    TRP  16           H        TRP  16   1.559  -1.699   1.318
  101    HA   TRP  16           HA       TRP  16   3.114  -0.505   2.580
  102    HB2  TRP  16           HB3      TRP  16   4.513  -2.566   2.512
  103    HB3  TRP  16           HB2      TRP  16   5.348  -1.900   1.122
  104    HD1  TRP  16           HD1      TRP  16   7.192  -0.189   1.474
  105    HE1  TRP  16           HE1      TRP  16   8.699   0.166   3.497
  106    HE3  TRP  16           HE3      TRP  16   4.220  -2.239   5.082
  107    HZ2  TRP  16           HZ2      TRP  16   8.450   0.026   6.397
  108    HZ3  TRP  16           HZ3      TRP  16   4.899  -2.152   7.478
  109    HH2  TRP  16           HH2      TRP  16   6.984  -0.987   8.146
  110    H    ASP  17           H        ASP  17   3.522   1.603   2.320
  111    HA   ASP  17           HA       ASP  17   4.275   2.732  -0.373
  112    HB2  ASP  17           HB3      ASP  17   2.874   3.898   2.052
  113    HB3  ASP  17           HB2      ASP  17   3.567   4.938   0.831
  114    H    GLN  18           H        GLN  18   5.868   1.966   2.528
  115    HA   GLN  18           HA       GLN  18   6.874   4.551   3.215
  116    HB2  GLN  18           HB3      GLN  18   6.864   2.196   4.527
  117    HB3  GLN  18           HB2      GLN  18   8.524   2.167   3.947
  118    HG2  GLN  18           HG3      GLN  18   7.880   4.750   5.177
  119    HG3  GLN  18           HG2      GLN  18   7.531   3.403   6.259
  120   HE21  GLN  18          HE21      GLN  18   9.314   2.111   7.089
  121   HE22  GLN  18          HE22      GLN  18  10.966   2.546   6.697
  122    H    HIS  19           H        HIS  19   8.827   5.532   2.936
  123    HA   HIS  19           HA       HIS  19   9.941   5.324   0.335
  124    HB2  HIS  19           HB3      HIS  19  11.075   7.343   0.829
  125    HB3  HIS  19           HB2      HIS  19   9.494   7.424   1.580
  126    HD1  HIS  19           HD1      HIS  19  11.166   5.518   4.135
  127    HD2  HIS  19           HD2      HIS  19  11.713   9.380   2.508
  128    HE1  HIS  19           HE1      HIS  19  12.545   6.809   5.838
  129    HE2  HIS  19           HE2      HIS  19  12.876   9.191   4.868
  130    H    ALA  20           H        ALA  20  10.676   2.873   1.220
  131    HA   ALA  20           HA       ALA  20  13.578   2.898   0.904
  132    HB1  ALA  20           HB1      ALA  20  12.237   1.578   3.318
  133    HB2  ALA  20           HB2      ALA  20  13.943   1.410   2.867
  134    HB3  ALA  20           HB3      ALA  20  13.319   2.990   3.369
  135    HA   PRO  21           HA       PRO  21  12.231  -0.448  -1.656
  136    HB2  PRO  21           HB3      PRO  21  14.507  -1.888  -2.117
  137    HB3  PRO  21           HB2      PRO  21  14.282  -0.213  -2.708
  138    HG2  PRO  21           HG3      PRO  21  15.713  -1.110  -0.180
  139    HG3  PRO  21           HG2      PRO  21  16.319  -0.004  -1.457
  140    HD2  PRO  21           HD3      PRO  21  15.179   0.945   0.826
  141    HD3  PRO  21           HD2      PRO  21  14.890   1.744  -0.750
  142    H    LEU  22           H        LEU  22  13.572  -1.225   1.437
  143    HA   LEU  22           HA       LEU  22  11.657  -3.313   1.814
  144    HB2  LEU  22           HB3      LEU  22  13.146  -4.986   2.729
  145    HB3  LEU  22           HB2      LEU  22  13.544  -4.669   1.059
  146    HG   LEU  22           HG       LEU  22  15.213  -2.889   2.546
  147   HD11  LEU  22          HD11      LEU  22  15.240  -5.680   3.767
  148   HD12  LEU  22          HD12      LEU  22  14.744  -4.209   4.595
  149   HD13  LEU  22          HD13      LEU  22  16.429  -4.397   4.073
  150   HD21  LEU  22          HD21      LEU  22  17.033  -4.299   1.710
  151   HD22  LEU  22          HD22      LEU  22  15.802  -4.038   0.454
  152   HD23  LEU  22          HD23      LEU  22  15.871  -5.588   1.326
  153    H    ALA  23           H        ALA  23  11.708  -3.900   4.237
  154    HA   ALA  23           HA       ALA  23  12.713  -1.777   6.006
  155    HB1  ALA  23           HB1      ALA  23  10.602  -0.833   5.115
  156    HB2  ALA  23           HB2      ALA  23   9.731  -2.289   5.668
  157    HB3  ALA  23           HB3      ALA  23  10.479  -1.200   6.852
  158    H    ASP  24           H        ASP  24  12.221  -4.996   5.469
  159    HA   ASP  24           HA       ASP  24  12.595  -5.920   8.144
  160    HB2  ASP  24           HB3      ASP  24  10.055  -5.942   7.515
  161    HB3  ASP  24           HB2      ASP  24  10.485  -7.120   6.293
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   0.956   2.170   0.597
    2    HA2  GLY   1           HA3      GLY   1   0.342   1.343  -1.744
    3    HA3  GLY   1           HA2      GLY   1   1.881   2.092  -1.408
    4    HA   PRO   2           HA       PRO   2   2.146  -1.811  -3.839
    5    HB2  PRO   2           HB3      PRO   2   2.989  -0.915  -6.230
    6    HB3  PRO   2           HB2      PRO   2   1.334  -0.595  -5.629
    7    HG2  PRO   2           HG3      PRO   2   3.733   1.269  -5.477
    8    HG3  PRO   2           HG2      PRO   2   2.094   1.627  -6.112
    9    HD2  PRO   2           HD3      PRO   2   2.848   2.197  -3.528
   10    HD3  PRO   2           HD2      PRO   2   1.173   1.728  -3.954
   11    H    THR   3           H        THR   3   3.850  -2.412  -2.213
   12    HA   THR   3           HA       THR   3   6.293  -2.962  -3.738
   13    HB   THR   3           HB       THR   3   6.320  -0.985  -1.791
   14    HG1  THR   3           HG1      THR   3   8.424  -0.958  -2.256
   15   HG21  THR   3          HG21      THR   3   7.652  -1.538   0.005
   16   HG22  THR   3          HG22      THR   3   8.114  -3.105  -0.637
   17   HG23  THR   3          HG23      THR   3   6.480  -2.868  -0.016
   18    HA   PRO   4           HA       PRO   4   5.529  -6.934  -1.802
   19    HB2  PRO   4           HB3      PRO   4   7.938  -8.164  -1.379
   20    HB3  PRO   4           HB2      PRO   4   7.307  -7.731  -2.986
   21    HG2  PRO   4           HG3      PRO   4   9.245  -6.146  -1.275
   22    HG3  PRO   4           HG2      PRO   4   9.428  -6.635  -2.986
   23    HD2  PRO   4           HD3      PRO   4   8.509  -4.188  -2.379
   24    HD3  PRO   4           HD2      PRO   4   7.787  -5.107  -3.712
   25    H    MET   5           H        MET   5   5.836  -4.766   0.501
   26    HA   MET   5           HA       MET   5   6.559  -6.620   2.754
   27    HB2  MET   5           HB3      MET   5   7.147  -3.769   2.296
   28    HB3  MET   5           HB2      MET   5   6.370  -4.035   3.834
   29    HG2  MET   5           HG3      MET   5   8.723  -4.122   4.145
   30    HG3  MET   5           HG2      MET   5   8.022  -5.684   4.495
   31    HE1  MET   5           HE1      MET   5   9.403  -3.649   1.487
   32    HE2  MET   5           HE2      MET   5  10.395  -4.839   0.598
   33    HE3  MET   5           HE3      MET   5   8.628  -4.925   0.535
   34    H    VAL   6           H        VAL   6   5.147  -5.550   4.915
   35    HA   VAL   6           HA       VAL   6   2.379  -5.118   3.924
   36    HB   VAL   6           HB       VAL   6   2.600  -7.527   4.353
   37   HG11  VAL   6          HG11      VAL   6   4.154  -7.497   6.284
   38   HG12  VAL   6          HG12      VAL   6   2.888  -6.763   7.294
   39   HG13  VAL   6          HG13      VAL   6   2.667  -8.398   6.629
   40   HG21  VAL   6          HG21      VAL   6   0.420  -6.364   4.496
   41   HG22  VAL   6          HG22      VAL   6   0.524  -7.758   5.581
   42   HG23  VAL   6          HG23      VAL   6   0.673  -6.125   6.247
   43    H    GLY   7           H        GLY   7   1.165  -3.760   4.967
   44    HA2  GLY   7           HA3      GLY   7   0.527  -2.498   7.019
   45    HA3  GLY   7           HA2      GLY   7   2.245  -2.437   7.435
   46    H    LEU   8           H        LEU   8   1.800  -0.172   7.591
   47    HA   LEU   8           HA       LEU   8   1.928   1.968   7.067
   48    HB2  LEU   8           HB3      LEU   8   4.017   0.801   5.873
   49    HB3  LEU   8           HB2      LEU   8   3.285   1.493   4.447
   50    HG   LEU   8           HG       LEU   8   4.945   2.989   5.220
   51   HD11  LEU   8          HD11      LEU   8   3.853   5.064   5.657
   52   HD12  LEU   8          HD12      LEU   8   2.421   4.255   6.315
   53   HD13  LEU   8          HD13      LEU   8   2.801   4.133   4.583
   54   HD21  LEU   8          HD21      LEU   8   3.701   2.943   7.992
   55   HD22  LEU   8          HD22      LEU   8   5.108   3.891   7.486
   56   HD23  LEU   8          HD23      LEU   8   5.198   2.120   7.507
   57    H    ASP   9           H        ASP   9   0.955   0.495   3.930
   58    HA   ASP   9           HA       ASP   9   0.387   2.725   2.510
   59    HB2  ASP   9           HB2      ASP   9  -1.331   0.223   2.501
   60    HB3  ASP   9           HB3      ASP   9  -1.567   1.552   1.382
   61    H    SER  10           H        SER  10  -2.177   1.329   4.500
   62    HA   SER  10           HA       SER  10  -4.122   2.110   5.381
   63    HB2  SER  10           HB3      SER  10  -2.697   4.777   5.482
   64    HB3  SER  10           HB2      SER  10  -4.036   4.223   6.508
   65    HG   SER  10           HG       SER  10  -1.357   3.280   6.404
   66    H    VAL  11           H        VAL  11  -3.163   3.695   2.551
   67    HA   VAL  11           HA       VAL  11  -5.889   4.671   1.822
   68    HB   VAL  11           HB       VAL  11  -3.221   6.041   1.247
   69   HG11  VAL  11          HG11      VAL  11  -4.625   7.947   0.598
   70   HG12  VAL  11          HG12      VAL  11  -5.034   6.531  -0.374
   71   HG13  VAL  11          HG13      VAL  11  -6.093   7.017   0.966
   72   HG21  VAL  11          HG21      VAL  11  -5.265   6.685   3.409
   73   HG22  VAL  11          HG22      VAL  11  -3.557   6.246   3.630
   74   HG23  VAL  11          HG23      VAL  11  -3.966   7.783   2.884
   75    H    SER  12           H        SER  12  -2.600   4.083   0.349
   76    HA   SER  12           HA       SER  12  -3.750   3.352  -2.218
   77    HB2  SER  12           HB3      SER  12  -1.517   4.465  -1.885
   78    HB3  SER  12           HB2      SER  12  -0.925   2.950  -1.199
   79    HG   SER  12           HG       SER  12  -1.734   2.002  -3.252
   80    H    GLY  13           H        GLY  13  -4.245   1.659   0.304
   81    HA2  GLY  13           HA3      GLY  13  -3.954  -0.646   1.060
   82    HA3  GLY  13           HA2      GLY  13  -5.270  -0.534  -0.104
   83    H    GLN  14           H        GLN  14  -1.720  -1.286  -0.006
   84    HA   GLN  14           HA       GLN  14  -2.301  -3.644  -1.663
   85    HB2  GLN  14           HB3      GLN  14  -1.415  -1.380  -2.880
   86    HB3  GLN  14           HB2      GLN  14   0.124  -2.050  -2.475
   87    HG2  GLN  14           HG3      GLN  14  -2.086  -3.503  -3.989
   88    HG3  GLN  14           HG2      GLN  14  -0.806  -2.573  -4.750
   89   HE21  GLN  14          HE21      GLN  14   1.511  -3.535  -3.148
   90   HE22  GLN  14          HE22      GLN  14   1.630  -5.193  -3.695
   91    H    TYR  15           H        TYR  15   0.937  -2.437  -0.793
   92    HA   TYR  15           HA       TYR  15   1.350  -4.275   1.397
   93    HB2  TYR  15           HB3      TYR  15   2.118  -5.030  -1.416
   94    HB3  TYR  15           HB2      TYR  15   3.085  -5.610  -0.120
   95    HD1  TYR  15           HD2      TYR  15   1.465  -6.598   1.955
   96    HD2  TYR  15           HD1      TYR  15   0.692  -6.683  -2.278
   97    HE1  TYR  15           HE2      TYR  15   0.088  -8.632   2.255
   98    HE2  TYR  15           HE1      TYR  15  -0.705  -8.717  -1.979
   99    HH   TYR  15           HH       TYR  15  -1.100 -10.242   1.213
  100    H    TRP  16           H        TRP  16   1.761  -1.637   1.370
  101    HA   TRP  16           HA       TRP  16   3.218  -0.555   2.867
  102    HB2  TRP  16           HB3      TRP  16   4.584  -2.579   3.091
  103    HB3  TRP  16           HB2      TRP  16   5.506  -2.089   1.689
  104    HD1  TRP  16           HD1      TRP  16   7.317  -0.316   1.857
  105    HE1  TRP  16           HE1      TRP  16   8.831   0.252   3.846
  106    HE3  TRP  16           HE3      TRP  16   4.374  -2.035   5.630
  107    HZ2  TRP  16           HZ2      TRP  16   8.665   0.185   6.752
  108    HZ3  TRP  16           HZ3      TRP  16   5.090  -1.848   8.003
  109    HH2  TRP  16           HH2      TRP  16   7.215  -0.696   8.577
  110    H    ASP  17           H        ASP  17   3.089   1.472   2.357
  111    HA   ASP  17           HA       ASP  17   3.908   2.690  -0.147
  112    HB2  ASP  17           HB3      ASP  17   2.357   3.383   2.268
  113    HB3  ASP  17           HB2      ASP  17   3.318   4.731   1.754
  114    H    GLN  18           H        GLN  18   5.902   2.020   2.505
  115    HA   GLN  18           HA       GLN  18   6.770   4.708   2.998
  116    HB2  GLN  18           HB3      GLN  18   6.997   2.400   4.415
  117    HB3  GLN  18           HB2      GLN  18   8.625   2.494   3.730
  118    HG2  GLN  18           HG3      GLN  18   8.282   5.069   4.675
  119    HG3  GLN  18           HG2      GLN  18   7.309   4.146   5.826
  120   HE21  GLN  18          HE21      GLN  18   8.501   2.284   7.000
  121   HE22  GLN  18          HE22      GLN  18  10.253   2.372   7.022
  122    H    HIS  19           H        HIS  19   8.568   5.812   2.481
  123    HA   HIS  19           HA       HIS  19   9.856   5.689   0.042
  124    HB2  HIS  19           HB3      HIS  19  11.089   7.587   0.809
  125    HB3  HIS  19           HB2      HIS  19   9.500   7.673   1.539
  126    HD1  HIS  19           HD1      HIS  19  10.883   5.283   3.841
  127    HD2  HIS  19           HD2      HIS  19  11.873   9.289   2.859
  128    HE1  HIS  19           HE1      HIS  19  12.245   6.134   5.752
  129    HE2  HIS  19           HE2      HIS  19  12.867   8.599   5.205
  130    H    ALA  20           H        ALA  20  10.541   3.056   1.181
  131    HA   ALA  20           HA       ALA  20  13.496   3.120   1.035
  132    HB1  ALA  20           HB1      ALA  20  13.652   1.628   3.003
  133    HB2  ALA  20           HB2      ALA  20  12.879   3.156   3.462
  134    HB3  ALA  20           HB3      ALA  20  11.896   1.699   3.214
  135    HA   PRO  21           HA       PRO  21  12.536  -0.154  -1.740
  136    HB2  PRO  21           HB3      PRO  21  14.817  -1.669  -1.843
  137    HB3  PRO  21           HB2      PRO  21  14.716   0.001  -2.479
  138    HG2  PRO  21           HG3      PRO  21  15.754  -0.892   0.237
  139    HG3  PRO  21           HG2      PRO  21  16.546   0.200  -0.946
  140    HD2  PRO  21           HD3      PRO  21  15.115   1.178   1.148
  141    HD3  PRO  21           HD2      PRO  21  15.044   1.963  -0.459
  142    H    LEU  22           H        LEU  22  13.393  -1.039   1.497
  143    HA   LEU  22           HA       LEU  22  11.361  -2.978   1.655
  144    HB2  LEU  22           HB3      LEU  22  12.707  -4.880   2.493
  145    HB3  LEU  22           HB2      LEU  22  12.992  -4.540   0.812
  146    HG   LEU  22           HG       LEU  22  14.939  -3.012   2.323
  147   HD11  LEU  22          HD11      LEU  22  14.819  -5.943   3.119
  148   HD12  LEU  22          HD12      LEU  22  14.596  -4.562   4.186
  149   HD13  LEU  22          HD13      LEU  22  16.175  -4.837   3.431
  150   HD21  LEU  22          HD21      LEU  22  15.275  -5.512   0.637
  151   HD22  LEU  22          HD22      LEU  22  16.539  -4.332   1.053
  152   HD23  LEU  22          HD23      LEU  22  15.180  -3.852   0.009
  153    H    ALA  23           H        ALA  23  11.494  -3.919   4.064
  154    HA   ALA  23           HA       ALA  23  12.654  -2.046   5.993
  155    HB1  ALA  23           HB1      ALA  23  10.602  -0.857   5.277
  156    HB2  ALA  23           HB2      ALA  23   9.633  -2.294   5.710
  157    HB3  ALA  23           HB3      ALA  23  10.496  -1.391   6.969
  158    H    ASP  24           H        ASP  24  12.006  -5.186   5.233
  159    HA   ASP  24           HA       ASP  24  12.188  -6.268   7.882
  160    HB2  ASP  24           HB3      ASP  24   9.687  -6.102   7.084
  161    HB3  ASP  24           HB2      ASP  24  10.135  -7.296   5.884
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1   0.996   1.905   0.264
    2    HA2  GLY   1           HA3      GLY   1  -0.292   0.134  -1.511
    3    HA3  GLY   1           HA2      GLY   1   0.429   1.692  -1.825
    4    HA   PRO   2           HA       PRO   2   2.376  -1.319  -4.387
    5    HB2  PRO   2           HB3      PRO   2   3.537   0.177  -6.339
    6    HB3  PRO   2           HB2      PRO   2   1.783   0.019  -6.097
    7    HG2  PRO   2           HG3      PRO   2   3.593   2.238  -5.096
    8    HG3  PRO   2           HG2      PRO   2   2.040   2.382  -5.987
    9    HD2  PRO   2           HD3      PRO   2   2.177   2.574  -3.289
   10    HD3  PRO   2           HD2      PRO   2   0.784   1.786  -4.088
   11    H    THR   3           H        THR   3   3.816  -1.968  -2.488
   12    HA   THR   3           HA       THR   3   6.202  -2.660  -3.945
   13    HB   THR   3           HB       THR   3   6.743  -0.692  -2.303
   14    HG1  THR   3           HG1      THR   3   8.806  -1.536  -2.123
   15   HG21  THR   3          HG21      THR   3   7.626  -1.201  -0.211
   16   HG22  THR   3          HG22      THR   3   7.425  -2.949  -0.430
   17   HG23  THR   3          HG23      THR   3   6.022  -1.941  -0.215
   18    HA   PRO   4           HA       PRO   4   4.722  -6.383  -1.769
   19    HB2  PRO   4           HB3      PRO   4   6.704  -8.135  -1.431
   20    HB3  PRO   4           HB2      PRO   4   6.416  -7.381  -3.032
   21    HG2  PRO   4           HG3      PRO   4   8.392  -6.477  -0.900
   22    HG3  PRO   4           HG2      PRO   4   8.741  -6.880  -2.615
   23    HD2  PRO   4           HD3      PRO   4   8.272  -4.336  -1.825
   24    HD3  PRO   4           HD2      PRO   4   7.692  -4.931  -3.402
   25    H    MET   5           H        MET   5   6.206  -4.416   0.531
   26    HA   MET   5           HA       MET   5   6.440  -6.423   2.692
   27    HB2  MET   5           HB3      MET   5   7.191  -3.574   2.343
   28    HB3  MET   5           HB2      MET   5   6.590  -3.970   3.945
   29    HG2  MET   5           HG3      MET   5   8.971  -4.193   3.938
   30    HG3  MET   5           HG2      MET   5   8.216  -5.740   4.228
   31    HE1  MET   5           HE1      MET   5   9.692  -3.440   1.484
   32    HE2  MET   5           HE2      MET   5  10.365  -4.577   0.285
   33    HE3  MET   5           HE3      MET   5   8.615  -4.368   0.417
   34    H    VAL   6           H        VAL   6   5.293  -6.193   4.795
   35    HA   VAL   6           HA       VAL   6   2.438  -6.048   4.061
   36    HB   VAL   6           HB       VAL   6   3.259  -8.160   4.642
   37   HG11  VAL   6          HG11      VAL   6   3.776  -7.262   7.494
   38   HG12  VAL   6          HG12      VAL   6   3.916  -8.895   6.825
   39   HG13  VAL   6          HG13      VAL   6   5.023  -7.628   6.290
   40   HG21  VAL   6          HG21      VAL   6   0.905  -7.580   5.048
   41   HG22  VAL   6          HG22      VAL   6   1.494  -8.858   6.124
   42   HG23  VAL   6          HG23      VAL   6   1.290  -7.207   6.743
   43    H    GLY   7           H        GLY   7   2.137  -3.797   4.204
   44    HA2  GLY   7           HA3      GLY   7   0.282  -3.148   5.990
   45    HA3  GLY   7           HA2      GLY   7   1.690  -2.796   6.979
   46    H    LEU   8           H        LEU   8   1.632  -0.716   7.189
   47    HA   LEU   8           HA       LEU   8   1.741   1.488   6.964
   48    HB2  LEU   8           HB3      LEU   8   3.756   0.561   5.590
   49    HB3  LEU   8           HB2      LEU   8   2.883   1.141   4.197
   50    HG   LEU   8           HG       LEU   8   4.609   2.645   4.804
   51   HD11  LEU   8          HD11      LEU   8   2.067   4.078   5.589
   52   HD12  LEU   8          HD12      LEU   8   2.467   3.625   3.915
   53   HD13  LEU   8          HD13      LEU   8   3.513   4.734   4.808
   54   HD21  LEU   8          HD21      LEU   8   4.724   3.849   6.902
   55   HD22  LEU   8          HD22      LEU   8   4.735   2.100   7.215
   56   HD23  LEU   8          HD23      LEU   8   3.256   3.047   7.496
   57    H    ASP   9           H        ASP   9   0.521   0.387   3.793
   58    HA   ASP   9           HA       ASP   9   0.343   2.768   2.666
   59    HB2  ASP   9           HB2      ASP   9  -1.747   0.615   2.242
   60    HB3  ASP   9           HB3      ASP   9  -1.468   1.929   1.137
   61    H    SER  10           H        SER  10  -2.353   1.672   4.597
   62    HA   SER  10           HA       SER  10  -4.172   2.630   5.552
   63    HB2  SER  10           HB3      SER  10  -2.499   5.148   5.340
   64    HB3  SER  10           HB2      SER  10  -3.910   4.912   6.387
   65    HG   SER  10           HG       SER  10  -1.475   3.427   6.441
   66    H    VAL  11           H        VAL  11  -3.375   4.357   2.637
   67    HA   VAL  11           HA       VAL  11  -6.278   4.487   1.926
   68    HB   VAL  11           HB       VAL  11  -4.327   6.750   1.320
   69   HG11  VAL  11          HG11      VAL  11  -7.330   6.492   0.863
   70   HG12  VAL  11          HG12      VAL  11  -6.362   7.956   0.572
   71   HG13  VAL  11          HG13      VAL  11  -6.080   6.509  -0.401
   72   HG21  VAL  11          HG21      VAL  11  -4.889   6.850   3.702
   73   HG22  VAL  11          HG22      VAL  11  -5.762   8.124   2.843
   74   HG23  VAL  11          HG23      VAL  11  -6.615   6.640   3.329
   75    H    SER  12           H        SER  12  -2.886   4.410   0.868
   76    HA   SER  12           HA       SER  12  -3.370   3.898  -1.938
   77    HB2  SER  12           HB3      SER  12  -1.329   4.899  -0.575
   78    HB3  SER  12           HB2      SER  12  -0.851   3.210  -0.453
   79    HG   SER  12           HG       SER  12   0.147   4.012  -2.123
   80    H    GLY  13           H        GLY  13  -4.480   1.952   0.167
   81    HA2  GLY  13           HA3      GLY  13  -3.349  -0.265   0.976
   82    HA3  GLY  13           HA2      GLY  13  -4.969  -0.321   0.323
   83    H    GLN  14           H        GLN  14  -1.656  -1.271  -0.099
   84    HA   GLN  14           HA       GLN  14  -2.553  -3.495  -1.718
   85    HB2  GLN  14           HB3      GLN  14  -1.880  -1.733  -3.360
   86    HB3  GLN  14           HB2      GLN  14  -0.255  -1.771  -2.756
   87    HG2  GLN  14           HG3      GLN  14  -1.643  -4.238  -3.876
   88    HG3  GLN  14           HG2      GLN  14  -0.892  -3.044  -4.918
   89   HE21  GLN  14          HE21      GLN  14   1.547  -2.649  -2.999
   90   HE22  GLN  14          HE22      GLN  14   2.414  -4.120  -3.353
   91    H    TYR  15           H        TYR  15   0.813  -2.466  -1.156
   92    HA   TYR  15           HA       TYR  15   1.215  -3.931   1.292
   93    HB2  TYR  15           HB3      TYR  15   2.254  -5.020  -1.336
   94    HB3  TYR  15           HB2      TYR  15   3.095  -5.321   0.150
   95    HD1  TYR  15           HD1      TYR  15   2.002  -6.597   1.990
   96    HD2  TYR  15           HD2      TYR  15   0.339  -6.340  -1.956
   97    HE1  TYR  15           HE1      TYR  15   0.567  -8.579   2.475
   98    HE2  TYR  15           HE2      TYR  15  -1.102  -8.312  -1.495
   99    HH   TYR  15           HH       TYR  15  -1.059  -9.924   1.687
  100    H    TRP  16           H        TRP  16   1.562  -1.565   1.535
  101    HA   TRP  16           HA       TRP  16   2.971  -0.218   2.662
  102    HB2  TRP  16           HB3      TRP  16   3.845  -2.306   3.339
  103    HB3  TRP  16           HB2      TRP  16   4.938  -2.392   1.990
  104    HD1  TRP  16           HD1      TRP  16   7.126  -0.907   2.049
  105    HE1  TRP  16           HE1      TRP  16   8.748  -0.831   4.033
  106    HE3  TRP  16           HE3      TRP  16   3.927  -2.038   5.853
  107    HZ2  TRP  16           HZ2      TRP  16   8.599  -0.810   6.924
  108    HZ3  TRP  16           HZ3      TRP  16   4.703  -2.060   8.204
  109    HH2  TRP  16           HH2      TRP  16   7.038  -1.438   8.749
  110    H    ASP  17           H        ASP  17   2.766   1.767   1.354
  111    HA   ASP  17           HA       ASP  17   4.642   2.476  -0.675
  112    HB2  ASP  17           HB3      ASP  17   3.467   4.566   1.156
  113    HB3  ASP  17           HB2      ASP  17   3.890   4.693  -0.537
  114    H    GLN  18           H        GLN  18   5.829   1.701   2.200
  115    HA   GLN  18           HA       GLN  18   6.883   4.131   3.309
  116    HB2  GLN  18           HB3      GLN  18   6.603   1.673   4.277
  117    HB3  GLN  18           HB2      GLN  18   8.263   1.504   3.706
  118    HG2  GLN  18           HG3      GLN  18   7.522   3.827   5.497
  119    HG3  GLN  18           HG2      GLN  18   7.700   2.216   6.185
  120   HE21  GLN  18          HE21      GLN  18   9.788   1.108   6.027
  121   HE22  GLN  18          HE22      GLN  18  11.234   2.049   5.729
  122    H    HIS  19           H        HIS  19   8.637   5.257   2.843
  123    HA   HIS  19           HA       HIS  19   9.817   5.114   0.327
  124    HB2  HIS  19           HB3      HIS  19  10.827   7.175   0.802
  125    HB3  HIS  19           HB2      HIS  19   9.303   7.152   1.663
  126    HD1  HIS  19           HD1      HIS  19  10.787   5.401   4.217
  127    HD2  HIS  19           HD2      HIS  19  11.840   9.060   2.368
  128    HE1  HIS  19           HE1      HIS  19  12.276   6.636   5.884
  129    HE2  HIS  19           HE2      HIS  19  12.923   8.892   4.763
  130    H    ALA  20           H        ALA  20  10.722   2.657   1.359
  131    HA   ALA  20           HA       ALA  20  13.559   2.871   0.673
  132    HB1  ALA  20           HB1      ALA  20  13.636   2.921   3.130
  133    HB2  ALA  20           HB2      ALA  20  12.545   1.518   3.220
  134    HB3  ALA  20           HB3      ALA  20  14.182   1.322   2.573
  135    HA   PRO  21           HA       PRO  21  12.262  -0.631  -1.715
  136    HB2  PRO  21           HB3      PRO  21  14.536  -2.056  -2.203
  137    HB3  PRO  21           HB2      PRO  21  14.279  -0.405  -2.839
  138    HG2  PRO  21           HG3      PRO  21  15.795  -1.203  -0.333
  139    HG3  PRO  21           HG2      PRO  21  16.349  -0.135  -1.662
  140    HD2  PRO  21           HD3      PRO  21  15.276   0.876   0.625
  141    HD3  PRO  21           HD2      PRO  21  14.927   1.625  -0.962
  142    H    LEU  22           H        LEU  22  13.503  -1.201   1.416
  143    HA   LEU  22           HA       LEU  22  11.854  -3.499   1.830
  144    HB2  LEU  22           HB3      LEU  22  13.531  -4.970   2.781
  145    HB3  LEU  22           HB2      LEU  22  13.835  -4.647   1.094
  146    HG   LEU  22           HG       LEU  22  15.569  -2.868   1.922
  147   HD11  LEU  22          HD11      LEU  22  16.657  -3.575   4.094
  148   HD12  LEU  22          HD12      LEU  22  15.226  -4.556   4.441
  149   HD13  LEU  22          HD13      LEU  22  15.093  -2.789   4.311
  150   HD21  LEU  22          HD21      LEU  22  17.297  -4.598   2.063
  151   HD22  LEU  22          HD22      LEU  22  16.129  -4.977   0.781
  152   HD23  LEU  22          HD23      LEU  22  16.050  -5.836   2.335
  153    H    ALA  23           H        ALA  23  12.218  -4.059   4.372
  154    HA   ALA  23           HA       ALA  23  12.979  -1.703   5.924
  155    HB1  ALA  23           HB1      ALA  23  10.608  -1.215   5.401
  156    HB2  ALA  23           HB2      ALA  23  10.139  -2.808   6.054
  157    HB3  ALA  23           HB3      ALA  23  10.835  -1.582   7.132
  158    H    ASP  24           H        ASP  24  11.439  -4.912   6.001
  159    HA   ASP  24           HA       ASP  24  12.818  -5.829   8.382
  160    HB2  ASP  24           HB3      ASP  24  11.125  -7.471   6.483
  161    HB3  ASP  24           HB2      ASP  24  11.303  -7.623   8.231
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   1.260  -0.484   0.236
    2    HA2  GLY   1           HA3      GLY   1   0.464   1.224  -2.027
    3    HA3  GLY   1           HA2      GLY   1   2.068   1.519  -1.338
    4    HA   PRO   2           HA       PRO   2   2.286  -1.755  -4.625
    5    HB2  PRO   2           HB3      PRO   2   3.484  -0.456  -6.686
    6    HB3  PRO   2           HB2      PRO   2   1.782  -0.166  -6.247
    7    HG2  PRO   2           HG3      PRO   2   4.196   1.471  -5.382
    8    HG3  PRO   2           HG2      PRO   2   2.686   2.047  -6.165
    9    HD2  PRO   2           HD3      PRO   2   3.024   2.090  -3.455
   10    HD3  PRO   2           HD2      PRO   2   1.435   1.760  -4.209
   11    H    THR   3           H        THR   3   3.838  -2.355  -2.590
   12    HA   THR   3           HA       THR   3   6.433  -3.013  -3.826
   13    HB   THR   3           HB       THR   3   6.180  -0.922  -1.992
   14    HG1  THR   3           HG1      THR   3   8.341  -0.878  -2.214
   15   HG21  THR   3          HG21      THR   3   7.385  -1.348  -0.088
   16   HG22  THR   3          HG22      THR   3   7.890  -2.948  -0.584
   17   HG23  THR   3          HG23      THR   3   6.201  -2.669  -0.093
   18    HA   PRO   4           HA       PRO   4   5.433  -6.830  -1.798
   19    HB2  PRO   4           HB3      PRO   4   7.768  -8.066  -1.045
   20    HB3  PRO   4           HB2      PRO   4   7.241  -7.780  -2.726
   21    HG2  PRO   4           HG3      PRO   4   9.173  -6.157  -1.070
   22    HG3  PRO   4           HG2      PRO   4   9.346  -6.696  -2.761
   23    HD2  PRO   4           HD3      PRO   4   8.524  -4.182  -2.160
   24    HD3  PRO   4           HD2      PRO   4   7.868  -5.063  -3.557
   25    H    MET   5           H        MET   5   6.441  -4.620   0.637
   26    HA   MET   5           HA       MET   5   6.359  -6.647   2.828
   27    HB2  MET   5           HB3      MET   5   7.306  -3.797   2.611
   28    HB3  MET   5           HB2      MET   5   6.728  -4.341   4.172
   29    HG2  MET   5           HG3      MET   5   9.111  -4.645   4.062
   30    HG3  MET   5           HG2      MET   5   8.299  -6.185   4.240
   31    HE1  MET   5           HE1      MET   5   8.647  -4.564   0.450
   32    HE2  MET   5           HE2      MET   5   9.551  -3.672   1.677
   33    HE3  MET   5           HE3      MET   5  10.416  -4.639   0.448
   34    H    VAL   6           H        VAL   6   5.094  -6.091   4.879
   35    HA   VAL   6           HA       VAL   6   2.361  -5.211   4.035
   36    HB   VAL   6           HB       VAL   6   2.584  -7.613   4.463
   37   HG11  VAL   6          HG11      VAL   6   4.217  -7.595   6.334
   38   HG12  VAL   6          HG12      VAL   6   2.998  -6.850   7.387
   39   HG13  VAL   6          HG13      VAL   6   2.744  -8.484   6.746
   40   HG21  VAL   6          HG21      VAL   6   0.423  -6.427   4.690
   41   HG22  VAL   6          HG22      VAL   6   0.557  -7.847   5.735
   42   HG23  VAL   6          HG23      VAL   6   0.736  -6.232   6.437
   43    H    GLY   7           H        GLY   7   1.144  -3.890   5.219
   44    HA2  GLY   7           HA3      GLY   7   0.610  -2.604   7.230
   45    HA3  GLY   7           HA2      GLY   7   2.327  -2.599   7.653
   46    H    LEU   8           H        LEU   8   1.579  -0.289   7.836
   47    HA   LEU   8           HA       LEU   8   1.829   1.874   7.358
   48    HB2  LEU   8           HB3      LEU   8   4.017   0.778   6.379
   49    HB3  LEU   8           HB2      LEU   8   3.362   1.253   4.835
   50    HG   LEU   8           HG       LEU   8   4.931   2.865   5.520
   51   HD11  LEU   8          HD11      LEU   8   2.850   3.837   4.525
   52   HD12  LEU   8          HD12      LEU   8   3.782   4.954   5.537
   53   HD13  LEU   8          HD13      LEU   8   2.303   4.222   6.178
   54   HD21  LEU   8          HD21      LEU   8   4.882   4.102   7.617
   55   HD22  LEU   8          HD22      LEU   8   5.002   2.354   7.911
   56   HD23  LEU   8          HD23      LEU   8   3.454   3.192   8.149
   57    H    ASP   9           H        ASP   9   1.117   0.280   4.271
   58    HA   ASP   9           HA       ASP   9   0.790   2.432   2.701
   59    HB2  ASP   9           HB2      ASP   9   0.833  -0.086   2.236
   60    HB3  ASP   9           HB3      ASP   9  -0.918  -0.026   2.342
   61    H    SER  10           H        SER  10  -1.949   1.045   4.407
   62    HA   SER  10           HA       SER  10  -4.007   1.751   5.055
   63    HB2  SER  10           HB3      SER  10  -2.445   4.302   5.466
   64    HB3  SER  10           HB2      SER  10  -3.917   3.805   6.327
   65    HG   SER  10           HG       SER  10  -1.316   2.775   6.428
   66    H    VAL  11           H        VAL  11  -3.080   3.426   2.255
   67    HA   VAL  11           HA       VAL  11  -5.793   4.645   1.885
   68    HB   VAL  11           HB       VAL  11  -3.134   5.992   1.239
   69   HG11  VAL  11          HG11      VAL  11  -4.526   7.986   0.849
   70   HG12  VAL  11          HG12      VAL  11  -5.037   6.671  -0.212
   71   HG13  VAL  11          HG13      VAL  11  -5.992   7.053   1.235
   72   HG21  VAL  11          HG21      VAL  11  -5.033   6.546   3.554
   73   HG22  VAL  11          HG22      VAL  11  -3.347   5.987   3.663
   74   HG23  VAL  11          HG23      VAL  11  -3.689   7.603   3.050
   75    H    SER  12           H        SER  12  -2.666   3.980   0.133
   76    HA   SER  12           HA       SER  12  -3.899   3.838  -2.421
   77    HB2  SER  12           HB3      SER  12  -1.273   2.622  -1.534
   78    HB3  SER  12           HB2      SER  12  -1.747   3.039  -3.181
   79    HG   SER  12           HG       SER  12  -0.464   4.500  -1.514
   80    H    GLY  13           H        GLY  13  -3.698   1.465   0.066
   81    HA2  GLY  13           HA3      GLY  13  -5.389  -0.235   0.185
   82    HA3  GLY  13           HA2      GLY  13  -5.486  -0.248  -1.573
   83    H    GLN  14           H        GLN  14  -2.259  -0.513  -0.269
   84    HA   GLN  14           HA       GLN  14  -2.215  -3.395  -1.055
   85    HB2  GLN  14           HB3      GLN  14  -2.049  -1.205  -2.781
   86    HB3  GLN  14           HB2      GLN  14  -0.395  -1.553  -2.545
   87    HG2  GLN  14           HG3      GLN  14  -2.506  -3.562  -3.443
   88    HG3  GLN  14           HG2      GLN  14  -1.533  -2.592  -4.531
   89   HE21  GLN  14          HE21      GLN  14   1.108  -2.937  -2.997
   90   HE22  GLN  14          HE22      GLN  14   1.461  -4.617  -3.377
   91    H    TYR  15           H        TYR  15   0.445  -3.847  -1.341
   92    HA   TYR  15           HA       TYR  15   1.419  -4.047   1.363
   93    HB2  TYR  15           HB3      TYR  15   2.302  -4.968  -1.356
   94    HB3  TYR  15           HB2      TYR  15   3.252  -5.314   0.068
   95    HD1  TYR  15           HD1      TYR  15   2.033  -6.500   2.038
   96    HD2  TYR  15           HD2      TYR  15   0.586  -6.454  -2.015
   97    HE1  TYR  15           HE1      TYR  15   0.498  -8.403   2.561
   98    HE2  TYR  15           HE2      TYR  15  -0.926  -8.348  -1.505
   99    HH   TYR  15           HH       TYR  15  -1.026  -9.865   1.713
  100    H    TRP  16           H        TRP  16   1.852  -1.996   2.049
  101    HA   TRP  16           HA       TRP  16   3.236  -0.406   2.896
  102    HB2  TRP  16           HB3      TRP  16   4.338  -2.452   3.385
  103    HB3  TRP  16           HB2      TRP  16   5.285  -2.355   1.916
  104    HD1  TRP  16           HD1      TRP  16   7.276  -0.552   1.881
  105    HE1  TRP  16           HE1      TRP  16   8.875   0.075   3.778
  106    HE3  TRP  16           HE3      TRP  16   4.458  -2.019   5.868
  107    HZ2  TRP  16           HZ2      TRP  16   8.773   0.303   6.663
  108    HZ3  TRP  16           HZ3      TRP  16   5.246  -1.620   8.194
  109    HH2  TRP  16           HH2      TRP  16   7.373  -0.417   8.604
  110    H    ASP  17           H        ASP  17   2.770   1.436   1.795
  111    HA   ASP  17           HA       ASP  17   4.197   2.439  -0.498
  112    HB2  ASP  17           HB3      ASP  17   2.024   3.233   1.286
  113    HB3  ASP  17           HB2      ASP  17   3.045   4.616   1.019
  114    H    GLN  18           H        GLN  18   5.852   1.895   2.219
  115    HA   GLN  18           HA       GLN  18   6.613   4.602   2.969
  116    HB2  GLN  18           HB3      GLN  18   6.732   2.254   4.294
  117    HB3  GLN  18           HB2      GLN  18   8.383   2.302   3.684
  118    HG2  GLN  18           HG3      GLN  18   7.845   4.902   4.782
  119    HG3  GLN  18           HG2      GLN  18   7.189   3.724   5.921
  120   HE21  GLN  18          HE21      GLN  18   8.737   2.462   7.184
  121   HE22  GLN  18          HE22      GLN  18  10.464   2.696   6.914
  122    H    HIS  19           H        HIS  19   8.501   5.681   2.647
  123    HA   HIS  19           HA       HIS  19   9.748   5.630   0.146
  124    HB2  HIS  19           HB3      HIS  19  10.949   7.531   0.838
  125    HB3  HIS  19           HB2      HIS  19   9.395   7.607   1.643
  126    HD1  HIS  19           HD1      HIS  19  10.878   5.388   3.994
  127    HD2  HIS  19           HD2      HIS  19  11.833   9.298   2.686
  128    HE1  HIS  19           HE1      HIS  19  12.288   6.408   5.827
  129    HE2  HIS  19           HE2      HIS  19  12.893   8.813   5.056
  130    H    ALA  20           H        ALA  20  10.429   3.007   1.266
  131    HA   ALA  20           HA       ALA  20  13.371   3.083   0.989
  132    HB1  ALA  20           HB1      ALA  20  12.888   3.089   3.433
  133    HB2  ALA  20           HB2      ALA  20  11.875   1.639   3.227
  134    HB3  ALA  20           HB3      ALA  20  13.618   1.553   2.924
  135    HA   PRO  21           HA       PRO  21  12.385  -0.261  -1.723
  136    HB2  PRO  21           HB3      PRO  21  14.688  -1.740  -1.822
  137    HB3  PRO  21           HB2      PRO  21  14.566  -0.083  -2.496
  138    HG2  PRO  21           HG3      PRO  21  15.639  -0.916   0.226
  139    HG3  PRO  21           HG2      PRO  21  16.411   0.168  -0.978
  140    HD2  PRO  21           HD3      PRO  21  14.984   1.147   1.119
  141    HD3  PRO  21           HD2      PRO  21  14.907   1.930  -0.490
  142    H    LEU  22           H        LEU  22  13.520  -1.081   1.486
  143    HA   LEU  22           HA       LEU  22  11.453  -2.992   1.814
  144    HB2  LEU  22           HB3      LEU  22  12.805  -4.865   2.628
  145    HB3  LEU  22           HB2      LEU  22  13.098  -4.546   0.943
  146    HG   LEU  22           HG       LEU  22  15.033  -2.998   2.459
  147   HD11  LEU  22          HD11      LEU  22  14.645  -4.581   4.314
  148   HD12  LEU  22          HD12      LEU  22  16.259  -4.784   3.610
  149   HD13  LEU  22          HD13      LEU  22  14.957  -5.938   3.238
  150   HD21  LEU  22          HD21      LEU  22  15.311  -3.840   0.153
  151   HD22  LEU  22          HD22      LEU  22  15.377  -5.504   0.779
  152   HD23  LEU  22          HD23      LEU  22  16.649  -4.340   1.214
  153    H    ALA  23           H        ALA  23  11.620  -3.850   4.189
  154    HA   ALA  23           HA       ALA  23  12.748  -1.924   6.098
  155    HB1  ALA  23           HB1      ALA  23  10.651  -0.827   5.347
  156    HB2  ALA  23           HB2      ALA  23   9.739  -2.301   5.776
  157    HB3  ALA  23           HB3      ALA  23  10.543  -1.355   7.044
  158    H    ASP  24           H        ASP  24  12.084  -5.072   5.298
  159    HA   ASP  24           HA       ASP  24  12.310  -6.267   7.880
  160    HB2  ASP  24           HB3      ASP  24   9.783  -5.956   7.195
  161    HB3  ASP  24           HB2      ASP  24  10.132  -7.088   5.904
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1   1.006  -0.400   0.114
    2    HA2  GLY   1           HA3      GLY   1   0.081   1.074  -2.212
    3    HA3  GLY   1           HA2      GLY   1   1.545   1.722  -1.490
    4    HA   PRO   2           HA       PRO   2   2.462  -1.583  -4.661
    5    HB2  PRO   2           HB3      PRO   2   3.889  -0.175  -6.473
    6    HB3  PRO   2           HB2      PRO   2   2.119  -0.004  -6.315
    7    HG2  PRO   2           HG3      PRO   2   4.265   1.774  -5.085
    8    HG3  PRO   2           HG2      PRO   2   2.839   2.275  -6.045
    9    HD2  PRO   2           HD3      PRO   2   2.839   2.251  -3.301
   10    HD3  PRO   2           HD2      PRO   2   1.370   1.868  -4.250
   11    H    THR   3           H        THR   3   3.716  -2.417  -2.682
   12    HA   THR   3           HA       THR   3   6.531  -2.814  -3.481
   13    HB   THR   3           HB       THR   3   5.577  -1.463  -0.948
   14    HG1  THR   3           HG1      THR   3   6.450  -0.514  -2.971
   15   HG21  THR   3          HG21      THR   3   7.084  -3.176  -0.029
   16   HG22  THR   3          HG22      THR   3   7.793  -1.565   0.038
   17   HG23  THR   3          HG23      THR   3   8.364  -2.656  -1.185
   18    HA   PRO   4           HA       PRO   4   5.240  -6.806  -1.753
   19    HB2  PRO   4           HB3      PRO   4   7.565  -8.087  -0.997
   20    HB3  PRO   4           HB2      PRO   4   7.014  -7.829  -2.677
   21    HG2  PRO   4           HG3      PRO   4   9.002  -6.184  -1.095
   22    HG3  PRO   4           HG2      PRO   4   9.144  -6.799  -2.765
   23    HD2  PRO   4           HD3      PRO   4   8.375  -4.272  -2.360
   24    HD3  PRO   4           HD2      PRO   4   7.580  -5.249  -3.596
   25    H    MET   5           H        MET   5   6.536  -4.699   0.668
   26    HA   MET   5           HA       MET   5   6.313  -6.657   2.860
   27    HB2  MET   5           HB3      MET   5   7.247  -3.805   2.627
   28    HB3  MET   5           HB2      MET   5   6.680  -4.361   4.195
   29    HG2  MET   5           HG3      MET   5   9.061  -4.675   4.045
   30    HG3  MET   5           HG2      MET   5   8.224  -6.190   4.248
   31    HE1  MET   5           HE1      MET   5   8.689  -4.568   0.435
   32    HE2  MET   5           HE2      MET   5   9.571  -3.751   1.733
   33    HE3  MET   5           HE3      MET   5  10.453  -4.732   0.522
   34    H    VAL   6           H        VAL   6   5.061  -5.865   4.942
   35    HA   VAL   6           HA       VAL   6   2.289  -5.156   4.041
   36    HB   VAL   6           HB       VAL   6   2.603  -7.538   4.477
   37   HG11  VAL   6          HG11      VAL   6   2.774  -8.419   6.741
   38   HG12  VAL   6          HG12      VAL   6   4.226  -7.492   6.337
   39   HG13  VAL   6          HG13      VAL   6   2.999  -6.783   7.400
   40   HG21  VAL   6          HG21      VAL   6   0.707  -6.222   6.450
   41   HG22  VAL   6          HG22      VAL   6   0.399  -6.440   4.711
   42   HG23  VAL   6          HG23      VAL   6   0.589  -7.851   5.766
   43    H    GLY   7           H        GLY   7   1.114  -3.754   5.084
   44    HA2  GLY   7           HA3      GLY   7   0.440  -2.454   7.067
   45    HA3  GLY   7           HA2      GLY   7   2.115  -2.493   7.621
   46    H    LEU   8           H        LEU   8   1.612  -0.189   7.755
   47    HA   LEU   8           HA       LEU   8   1.915   1.953   7.254
   48    HB2  LEU   8           HB3      LEU   8   4.053   0.801   6.248
   49    HB3  LEU   8           HB2      LEU   8   3.379   1.263   4.699
   50    HG   LEU   8           HG       LEU   8   4.957   2.902   5.352
   51   HD11  LEU   8          HD11      LEU   8   2.869   3.867   4.393
   52   HD12  LEU   8          HD12      LEU   8   3.766   4.982   5.435
   53   HD13  LEU   8          HD13      LEU   8   2.301   4.204   6.043
   54   HD21  LEU   8          HD21      LEU   8   5.081   2.380   7.742
   55   HD22  LEU   8          HD22      LEU   8   3.536   3.213   8.022
   56   HD23  LEU   8          HD23      LEU   8   4.944   4.123   7.464
   57    H    ASP   9           H        ASP   9   1.320   0.569   4.074
   58    HA   ASP   9           HA       ASP   9   0.656   2.675   2.586
   59    HB2  ASP   9           HB2      ASP   9   0.879   0.160   2.110
   60    HB3  ASP   9           HB3      ASP   9  -0.845   0.038   2.396
   61    H    SER  10           H        SER  10  -2.064   0.907   4.032
   62    HA   SER  10           HA       SER  10  -4.122   1.543   4.776
   63    HB2  SER  10           HB3      SER  10  -2.784   4.189   5.412
   64    HB3  SER  10           HB2      SER  10  -4.238   3.514   6.160
   65    HG   SER  10           HG       SER  10  -1.548   2.700   6.362
   66    H    VAL  11           H        VAL  11  -3.046   3.409   2.164
   67    HA   VAL  11           HA       VAL  11  -5.743   4.646   1.715
   68    HB   VAL  11           HB       VAL  11  -3.037   5.899   1.109
   69   HG11  VAL  11          HG11      VAL  11  -4.350   7.972   0.853
   70   HG12  VAL  11          HG12      VAL  11  -4.883   6.749  -0.303
   71   HG13  VAL  11          HG13      VAL  11  -5.855   7.068   1.152
   72   HG21  VAL  11          HG21      VAL  11  -3.544   7.449   3.003
   73   HG22  VAL  11          HG22      VAL  11  -4.914   6.404   3.459
   74   HG23  VAL  11          HG23      VAL  11  -3.243   5.802   3.536
   75    H    SER  12           H        SER  12  -2.710   3.639   0.018
   76    HA   SER  12           HA       SER  12  -4.099   3.423  -2.563
   77    HB2  SER  12           HB3      SER  12  -1.711   4.034  -2.437
   78    HB3  SER  12           HB2      SER  12  -1.351   2.456  -1.739
   79    HG   SER  12           HG       SER  12  -2.585   1.679  -3.703
   80    H    GLY  13           H        GLY  13  -4.016   1.512   0.213
   81    HA2  GLY  13           HA3      GLY  13  -5.447  -0.312   0.650
   82    HA3  GLY  13           HA2      GLY  13  -5.774  -0.427  -1.079
   83    H    GLN  14           H        GLN  14  -2.404  -0.530  -0.114
   84    HA   GLN  14           HA       GLN  14  -2.361  -3.399  -0.969
   85    HB2  GLN  14           HB3      GLN  14  -2.310  -1.226  -2.630
   86    HB3  GLN  14           HB2      GLN  14  -0.618  -1.442  -2.413
   87    HG2  GLN  14           HG3      GLN  14  -2.604  -3.564  -3.347
   88    HG3  GLN  14           HG2      GLN  14  -1.733  -2.485  -4.432
   89   HE21  GLN  14          HE21      GLN  14   0.969  -2.790  -2.955
   90   HE22  GLN  14          HE22      GLN  14   1.383  -4.430  -3.434
   91    H    TYR  15           H        TYR  15   0.219  -3.932  -1.350
   92    HA   TYR  15           HA       TYR  15   1.269  -4.195   1.306
   93    HB2  TYR  15           HB3      TYR  15   2.073  -5.131  -1.452
   94    HB3  TYR  15           HB2      TYR  15   3.042  -5.493  -0.051
   95    HD1  TYR  15           HD1      TYR  15   1.929  -6.672   1.939
   96    HD2  TYR  15           HD2      TYR  15   0.194  -6.517  -1.998
   97    HE1  TYR  15           HE1      TYR  15   0.448  -8.582   2.524
   98    HE2  TYR  15           HE2      TYR  15  -1.304  -8.428  -1.411
   99    HH   TYR  15           HH       TYR  15  -1.146  -9.982   1.791
  100    H    TRP  16           H        TRP  16   1.676  -2.009   1.877
  101    HA   TRP  16           HA       TRP  16   3.178  -0.576   2.745
  102    HB2  TRP  16           HB3      TRP  16   4.524  -2.620   2.887
  103    HB3  TRP  16           HB2      TRP  16   5.317  -2.218   1.377
  104    HD1  TRP  16           HD1      TRP  16   7.096  -0.211   1.448
  105    HE1  TRP  16           HE1      TRP  16   8.691   0.410   3.339
  106    HE3  TRP  16           HE3      TRP  16   4.473  -2.134   5.384
  107    HZ2  TRP  16           HZ2      TRP  16   8.666   0.397   6.249
  108    HZ3  TRP  16           HZ3      TRP  16   5.263  -1.808   7.705
  109    HH2  TRP  16           HH2      TRP  16   7.353  -0.554   8.158
  110    H    ASP  17           H        ASP  17   4.503   1.168   2.521
  111    HA   ASP  17           HA       ASP  17   4.560   2.537  -0.140
  112    HB2  ASP  17           HB3      ASP  17   2.381   2.468   1.643
  113    HB3  ASP  17           HB2      ASP  17   3.060   4.046   1.920
  114    H    GLN  18           H        GLN  18   6.362   2.011   2.475
  115    HA   GLN  18           HA       GLN  18   6.948   4.782   3.273
  116    HB2  GLN  18           HB3      GLN  18   7.141   2.530   4.689
  117    HB3  GLN  18           HB2      GLN  18   8.748   2.481   3.966
  118    HG2  GLN  18           HG3      GLN  18   8.452   5.138   4.934
  119    HG3  GLN  18           HG2      GLN  18   7.698   4.123   6.163
  120   HE21  GLN  18          HE21      GLN  18   9.134   2.514   7.318
  121   HE22  GLN  18          HE22      GLN  18  10.867   2.629   7.034
  122    H    HIS  19           H        HIS  19   8.883   5.857   2.878
  123    HA   HIS  19           HA       HIS  19  10.001   5.728   0.307
  124    HB2  HIS  19           HB3      HIS  19  11.326   7.609   0.952
  125    HB3  HIS  19           HB2      HIS  19   9.742   7.761   1.691
  126    HD1  HIS  19           HD1      HIS  19  11.340   5.473   4.058
  127    HD2  HIS  19           HD2      HIS  19  11.819   9.534   2.944
  128    HE1  HIS  19           HE1      HIS  19  12.535   6.576   5.975
  129    HE2  HIS  19           HE2      HIS  19  12.850   9.077   5.330
  130    H    ALA  20           H        ALA  20  10.647   3.140   1.380
  131    HA   ALA  20           HA       ALA  20  13.573   3.081   1.055
  132    HB1  ALA  20           HB1      ALA  20  12.077   1.772   3.383
  133    HB2  ALA  20           HB2      ALA  20  13.779   1.497   2.988
  134    HB3  ALA  20           HB3      ALA  20  13.246   3.109   3.507
  135    HA   PRO  21           HA       PRO  21  12.336  -0.210  -1.630
  136    HB2  PRO  21           HB3      PRO  21  14.596  -1.740  -1.851
  137    HB3  PRO  21           HB2      PRO  21  14.497  -0.068  -2.486
  138    HG2  PRO  21           HG3      PRO  21  15.634  -0.978   0.182
  139    HG3  PRO  21           HG2      PRO  21  16.404   0.088  -1.039
  140    HD2  PRO  21           HD3      PRO  21  15.089   1.107   1.107
  141    HD3  PRO  21           HD2      PRO  21  14.964   1.893  -0.499
  142    H    LEU  22           H        LEU  22  13.401  -1.018   1.574
  143    HA   LEU  22           HA       LEU  22  11.485  -3.092   1.825
  144    HB2  LEU  22           HB3      LEU  22  12.970  -4.874   2.614
  145    HB3  LEU  22           HB2      LEU  22  13.237  -4.482   0.941
  146    HG   LEU  22           HG       LEU  22  15.104  -2.836   2.292
  147   HD11  LEU  22          HD11      LEU  22  14.711  -4.133   4.384
  148   HD12  LEU  22          HD12      LEU  22  16.353  -4.367   3.746
  149   HD13  LEU  22          HD13      LEU  22  15.111  -5.618   3.526
  150   HD21  LEU  22          HD21      LEU  22  15.513  -5.576   1.055
  151   HD22  LEU  22          HD22      LEU  22  16.772  -4.351   1.326
  152   HD23  LEU  22          HD23      LEU  22  15.455  -4.034   0.171
  153    H    ALA  23           H        ALA  23  11.674  -3.978   4.152
  154    HA   ALA  23           HA       ALA  23  12.604  -2.012   6.129
  155    HB1  ALA  23           HB1      ALA  23  10.380  -1.856   7.199
  156    HB2  ALA  23           HB2      ALA  23  10.343  -1.209   5.543
  157    HB3  ALA  23           HB3      ALA  23   9.668  -2.819   5.889
  158    H    ASP  24           H        ASP  24  11.517  -5.205   5.228
  159    HA   ASP  24           HA       ASP  24  12.712  -6.469   7.576
  160    HB2  ASP  24           HB3      ASP  24  10.495  -7.621   5.850
  161    HB3  ASP  24           HB2      ASP  24  11.058  -8.177   7.417
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   0.994   2.216   0.538
    2    HA2  GLY   1           HA3      GLY   1   0.381   1.360  -1.798
    3    HA3  GLY   1           HA2      GLY   1   1.937   2.096  -1.459
    4    HA   PRO   2           HA       PRO   2   2.133  -1.872  -3.825
    5    HB2  PRO   2           HB3      PRO   2   2.960  -1.061  -6.253
    6    HB3  PRO   2           HB2      PRO   2   1.317  -0.716  -5.650
    7    HG2  PRO   2           HG3      PRO   2   3.726   1.146  -5.558
    8    HG3  PRO   2           HG2      PRO   2   2.087   1.490  -6.192
    9    HD2  PRO   2           HD3      PRO   2   2.881   2.122  -3.635
   10    HD3  PRO   2           HD2      PRO   2   1.192   1.681  -4.044
   11    H    THR   3           H        THR   3   3.862  -2.481  -2.226
   12    HA   THR   3           HA       THR   3   6.305  -3.017  -3.769
   13    HB   THR   3           HB       THR   3   6.245  -1.049  -1.806
   14    HG1  THR   3           HG1      THR   3   8.353  -0.950  -2.272
   15   HG21  THR   3          HG21      THR   3   7.597  -1.538  -0.029
   16   HG22  THR   3          HG22      THR   3   8.125  -3.088  -0.665
   17   HG23  THR   3          HG23      THR   3   6.482  -2.911  -0.029
   18    HA   PRO   4           HA       PRO   4   5.607  -6.982  -1.789
   19    HB2  PRO   4           HB3      PRO   4   8.038  -8.132  -1.223
   20    HB3  PRO   4           HB2      PRO   4   7.413  -7.823  -2.865
   21    HG2  PRO   4           HG3      PRO   4   9.318  -6.123  -1.242
   22    HG3  PRO   4           HG2      PRO   4   9.481  -6.658  -2.943
   23    HD2  PRO   4           HD3      PRO   4   8.545  -4.199  -2.375
   24    HD3  PRO   4           HD2      PRO   4   7.833  -5.156  -3.692
   25    H    MET   5           H        MET   5   6.056  -4.722   0.502
   26    HA   MET   5           HA       MET   5   6.498  -6.611   2.809
   27    HB2  MET   5           HB3      MET   5   7.225  -3.754   2.342
   28    HB3  MET   5           HB2      MET   5   6.492  -4.060   3.897
   29    HG2  MET   5           HG3      MET   5   8.840  -4.195   4.144
   30    HG3  MET   5           HG2      MET   5   8.125  -5.773   4.437
   31    HE1  MET   5           HE1      MET   5  10.418  -4.774   0.532
   32    HE2  MET   5           HE2      MET   5   8.650  -4.844   0.522
   33    HE3  MET   5           HE3      MET   5   9.467  -3.619   1.508
   34    H    VAL   6           H        VAL   6   5.152  -5.781   4.909
   35    HA   VAL   6           HA       VAL   6   2.375  -5.167   3.944
   36    HB   VAL   6           HB       VAL   6   2.665  -7.548   4.402
   37   HG11  VAL   6          HG11      VAL   6   4.224  -7.462   6.328
   38   HG12  VAL   6          HG12      VAL   6   2.938  -6.766   7.333
   39   HG13  VAL   6          HG13      VAL   6   2.773  -8.405   6.676
   40   HG21  VAL   6          HG21      VAL   6   0.597  -7.815   5.628
   41   HG22  VAL   6          HG22      VAL   6   0.706  -6.168   6.274
   42   HG23  VAL   6          HG23      VAL   6   0.468  -6.438   4.527
   43    H    GLY   7           H        GLY   7   1.159  -3.763   4.904
   44    HA2  GLY   7           HA3      GLY   7   0.495  -2.467   6.917
   45    HA3  GLY   7           HA2      GLY   7   2.201  -2.363   7.347
   46    H    LEU   8           H        LEU   8   1.794  -0.161   7.470
   47    HA   LEU   8           HA       LEU   8   1.929   1.973   6.982
   48    HB2  LEU   8           HB3      LEU   8   3.998   0.785   5.734
   49    HB3  LEU   8           HB2      LEU   8   3.268   1.548   4.347
   50    HG   LEU   8           HG       LEU   8   4.946   2.985   5.167
   51   HD11  LEU   8          HD11      LEU   8   2.810   4.169   4.573
   52   HD12  LEU   8          HD12      LEU   8   3.894   5.057   5.655
   53   HD13  LEU   8          HD13      LEU   8   2.448   4.274   6.307
   54   HD21  LEU   8          HD21      LEU   8   5.175   2.000   7.414
   55   HD22  LEU   8          HD22      LEU   8   3.713   2.849   7.941
   56   HD23  LEU   8          HD23      LEU   8   5.146   3.776   7.466
   57    H    ASP   9           H        ASP   9   0.913   0.544   3.846
   58    HA   ASP   9           HA       ASP   9   0.361   2.811   2.426
   59    HB2  ASP   9           HB2      ASP   9  -1.303   0.281   2.437
   60    HB3  ASP   9           HB3      ASP   9  -1.557   1.586   1.297
   61    H    SER  10           H        SER  10  -2.123   1.409   4.530
   62    HA   SER  10           HA       SER  10  -4.056   2.184   5.471
   63    HB2  SER  10           HB3      SER  10  -2.600   4.841   5.435
   64    HB3  SER  10           HB2      SER  10  -3.930   4.372   6.504
   65    HG   SER  10           HG       SER  10  -1.289   3.357   6.381
   66    H    VAL  11           H        VAL  11  -3.280   3.679   2.573
   67    HA   VAL  11           HA       VAL  11  -6.055   4.568   1.913
   68    HB   VAL  11           HB       VAL  11  -3.463   6.042   1.244
   69   HG11  VAL  11          HG11      VAL  11  -4.960   7.876   0.589
   70   HG12  VAL  11          HG12      VAL  11  -5.317   6.424  -0.353
   71   HG13  VAL  11          HG13      VAL  11  -6.384   6.886   0.996
   72   HG21  VAL  11          HG21      VAL  11  -4.249   7.796   2.849
   73   HG22  VAL  11          HG22      VAL  11  -5.468   6.647   3.447
   74   HG23  VAL  11          HG23      VAL  11  -3.733   6.305   3.620
   75    H    SER  12           H        SER  12  -2.769   4.101   0.500
   76    HA   SER  12           HA       SER  12  -3.597   3.425  -2.099
   77    HB2  SER  12           HB3      SER  12  -0.981   2.676  -0.797
   78    HB3  SER  12           HB2      SER  12  -1.259   3.113  -2.494
   79    HG   SER  12           HG       SER  12  -0.411   4.628  -0.628
   80    H    GLY  13           H        GLY  13  -4.263   1.530   0.361
   81    HA2  GLY  13           HA3      GLY  13  -4.301  -0.804   0.881
   82    HA3  GLY  13           HA2      GLY  13  -5.405  -0.528  -0.449
   83    H    GLN  14           H        GLN  14  -1.808  -1.256  -0.152
   84    HA   GLN  14           HA       GLN  14  -2.290  -3.707  -1.714
   85    HB2  GLN  14           HB3      GLN  14  -1.431  -1.405  -2.918
   86    HB3  GLN  14           HB2      GLN  14   0.111  -2.091  -2.519
   87    HG2  GLN  14           HG3      GLN  14  -2.112  -3.543  -4.024
   88    HG3  GLN  14           HG2      GLN  14  -0.848  -2.606  -4.807
   89   HE21  GLN  14          HE21      GLN  14   1.476  -3.550  -3.186
   90   HE22  GLN  14          HE22      GLN  14   1.604  -5.214  -3.714
   91    H    TYR  15           H        TYR  15   0.898  -2.415  -0.846
   92    HA   TYR  15           HA       TYR  15   1.384  -4.225   1.344
   93    HB2  TYR  15           HB3      TYR  15   2.178  -5.005  -1.462
   94    HB3  TYR  15           HB2      TYR  15   3.146  -5.538  -0.139
   95    HD1  TYR  15           HD2      TYR  15   1.651  -6.583   1.910
   96    HD2  TYR  15           HD1      TYR  15   0.673  -6.638  -2.284
   97    HE1  TYR  15           HE2      TYR  15   0.298  -8.644   2.249
   98    HE2  TYR  15           HE1      TYR  15  -0.665  -8.695  -1.949
   99    HH   TYR  15           HH       TYR  15  -0.984 -10.209   1.260
  100    H    TRP  16           H        TRP  16   1.789  -1.807   1.696
  101    HA   TRP  16           HA       TRP  16   3.309  -0.580   2.885
  102    HB2  TRP  16           HB3      TRP  16   4.527  -2.629   3.188
  103    HB3  TRP  16           HB2      TRP  16   5.471  -2.314   1.750
  104    HD1  TRP  16           HD1      TRP  16   7.317  -0.435   1.827
  105    HE1  TRP  16           HE1      TRP  16   8.839   0.210   3.787
  106    HE3  TRP  16           HE3      TRP  16   4.406  -2.063   5.667
  107    HZ2  TRP  16           HZ2      TRP  16   8.708   0.190   6.690
  108    HZ3  TRP  16           HZ3      TRP  16   5.105  -1.753   8.029
  109    HH2  TRP  16           HH2      TRP  16   7.252  -0.623   8.556
  110    H    ASP  17           H        ASP  17   3.102   1.394   2.267
  111    HA   ASP  17           HA       ASP  17   3.962   2.566  -0.226
  112    HB2  ASP  17           HB3      ASP  17   2.334   3.229   2.102
  113    HB3  ASP  17           HB2      ASP  17   3.374   4.574   1.790
  114    H    GLN  18           H        GLN  18   5.943   1.931   2.441
  115    HA   GLN  18           HA       GLN  18   6.741   4.624   2.974
  116    HB2  GLN  18           HB3      GLN  18   6.947   2.329   4.382
  117    HB3  GLN  18           HB2      GLN  18   8.590   2.411   3.752
  118    HG2  GLN  18           HG3      GLN  18   8.133   5.002   4.743
  119    HG3  GLN  18           HG2      GLN  18   7.265   3.980   5.884
  120   HE21  GLN  18          HE21      GLN  18   8.583   2.285   7.083
  121   HE22  GLN  18          HE22      GLN  18  10.330   2.439   7.041
  122    H    HIS  19           H        HIS  19   8.571   5.759   2.563
  123    HA   HIS  19           HA       HIS  19   9.847   5.680   0.091
  124    HB2  HIS  19           HB3      HIS  19  11.060   7.592   0.838
  125    HB3  HIS  19           HB2      HIS  19   9.467   7.667   1.570
  126    HD1  HIS  19           HD1      HIS  19  10.838   5.338   3.912
  127    HD2  HIS  19           HD2      HIS  19  11.856   9.308   2.825
  128    HE1  HIS  19           HE1      HIS  19  12.189   6.231   5.811
  129    HE2  HIS  19           HE2      HIS  19  12.839   8.679   5.198
  130    H    ALA  20           H        ALA  20  10.571   3.060   1.247
  131    HA   ALA  20           HA       ALA  20  13.518   3.161   1.069
  132    HB1  ALA  20           HB1      ALA  20  12.901   3.189   3.508
  133    HB2  ALA  20           HB2      ALA  20  11.990   1.679   3.266
  134    HB3  ALA  20           HB3      ALA  20  13.744   1.699   3.039
  135    HA   PRO  21           HA       PRO  21  12.568  -0.096  -1.741
  136    HB2  PRO  21           HB3      PRO  21  14.849  -1.623  -1.829
  137    HB3  PRO  21           HB2      PRO  21  14.745   0.035  -2.491
  138    HG2  PRO  21           HG3      PRO  21  15.790  -0.827   0.228
  139    HG3  PRO  21           HG2      PRO  21  16.574   0.268  -0.955
  140    HD2  PRO  21           HD3      PRO  21  15.148   1.226   1.148
  141    HD3  PRO  21           HD2      PRO  21  15.063   2.028  -0.453
  142    H    LEU  22           H        LEU  22  13.502  -1.034   1.484
  143    HA   LEU  22           HA       LEU  22  11.434  -2.950   1.635
  144    HB2  LEU  22           HB3      LEU  22  12.751  -4.872   2.422
  145    HB3  LEU  22           HB2      LEU  22  13.066  -4.467   0.755
  146    HG   LEU  22           HG       LEU  22  15.094  -3.037   1.982
  147   HD11  LEU  22          HD11      LEU  22  14.562  -3.960   4.229
  148   HD12  LEU  22          HD12      LEU  22  16.139  -4.515   3.649
  149   HD13  LEU  22          HD13      LEU  22  14.738  -5.596   3.587
  150   HD21  LEU  22          HD21      LEU  22  16.571  -4.863   1.268
  151   HD22  LEU  22          HD22      LEU  22  15.327  -4.525   0.049
  152   HD23  LEU  22          HD23      LEU  22  15.165  -5.942   1.110
  153    H    ALA  23           H        ALA  23  11.546  -3.895   4.039
  154    HA   ALA  23           HA       ALA  23  12.732  -2.038   5.962
  155    HB1  ALA  23           HB1      ALA  23  10.664  -0.843   5.240
  156    HB2  ALA  23           HB2      ALA  23   9.701  -2.267   5.716
  157    HB3  ALA  23           HB3      ALA  23  10.595  -1.351   6.943
  158    H    ASP  24           H        ASP  24  11.925  -5.178   5.165
  159    HA   ASP  24           HA       ASP  24  12.015  -6.310   7.798
  160    HB2  ASP  24           HB3      ASP  24   9.528  -5.915   6.796
  161    HB3  ASP  24           HB2      ASP  24   9.951  -7.303   5.822
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1   1.283   0.016   0.314
    2    HA2  GLY   1           HA3      GLY   1   0.160   1.244  -2.067
    3    HA3  GLY   1           HA2      GLY   1   1.628   2.019  -1.495
    4    HA   PRO   2           HA       PRO   2   2.229  -1.688  -4.199
    5    HB2  PRO   2           HB3      PRO   2   3.287  -0.694  -6.468
    6    HB3  PRO   2           HB2      PRO   2   1.599  -0.366  -5.991
    7    HG2  PRO   2           HG3      PRO   2   4.011   1.418  -5.507
    8    HG3  PRO   2           HG2      PRO   2   2.463   1.861  -6.290
    9    HD2  PRO   2           HD3      PRO   2   2.918   2.295  -3.628
   10    HD3  PRO   2           HD2      PRO   2   1.302   1.831  -4.241
   11    H    THR   3           H        THR   3   3.837  -2.319  -2.370
   12    HA   THR   3           HA       THR   3   6.320  -2.984  -3.798
   13    HB   THR   3           HB       THR   3   6.320  -0.918  -1.999
   14    HG1  THR   3           HG1      THR   3   8.415  -0.965  -2.361
   15   HG21  THR   3          HG21      THR   3   7.853  -3.058  -0.535
   16   HG22  THR   3          HG22      THR   3   6.262  -2.485  -0.018
   17   HG23  THR   3          HG23      THR   3   7.621  -1.361  -0.138
   18    HA   PRO   4           HA       PRO   4   5.503  -6.883  -1.780
   19    HB2  PRO   4           HB3      PRO   4   7.893  -8.036  -1.016
   20    HB3  PRO   4           HB2      PRO   4   7.334  -7.810  -2.697
   21    HG2  PRO   4           HG3      PRO   4   9.238  -6.107  -1.099
   22    HG3  PRO   4           HG2      PRO   4   9.384  -6.647  -2.795
   23    HD2  PRO   4           HD3      PRO   4   8.520  -4.164  -2.175
   24    HD3  PRO   4           HD2      PRO   4   7.849  -5.057  -3.557
   25    H    MET   5           H        MET   5   6.249  -4.653   0.654
   26    HA   MET   5           HA       MET   5   6.298  -6.730   2.833
   27    HB2  MET   5           HB3      MET   5   7.256  -3.883   2.655
   28    HB3  MET   5           HB2      MET   5   6.609  -4.407   4.200
   29    HG2  MET   5           HG3      MET   5   8.982  -4.732   4.192
   30    HG3  MET   5           HG2      MET   5   8.147  -6.273   4.336
   31    HE1  MET   5           HE1      MET   5   8.650  -4.671   0.561
   32    HE2  MET   5           HE2      MET   5   9.531  -3.791   1.818
   33    HE3  MET   5           HE3      MET   5  10.418  -4.775   0.615
   34    H    VAL   6           H        VAL   6   5.041  -5.951   4.954
   35    HA   VAL   6           HA       VAL   6   2.312  -5.077   4.065
   36    HB   VAL   6           HB       VAL   6   2.439  -7.503   4.360
   37   HG11  VAL   6          HG11      VAL   6   2.834  -6.954   7.327
   38   HG12  VAL   6          HG12      VAL   6   2.558  -8.527   6.562
   39   HG13  VAL   6          HG13      VAL   6   4.054  -7.646   6.242
   40   HG21  VAL   6          HG21      VAL   6   0.633  -6.124   6.381
   41   HG22  VAL   6          HG22      VAL   6   0.319  -6.278   4.632
   42   HG23  VAL   6          HG23      VAL   6   0.400  -7.723   5.654
   43    H    GLY   7           H        GLY   7   1.313  -3.570   5.070
   44    HA2  GLY   7           HA3      GLY   7   0.700  -2.484   7.282
   45    HA3  GLY   7           HA2      GLY   7   2.442  -2.420   7.600
   46    H    LEU   8           H        LEU   8   1.704  -0.106   7.824
   47    HA   LEU   8           HA       LEU   8   1.948   2.050   7.298
   48    HB2  LEU   8           HB3      LEU   8   4.064   0.848   6.299
   49    HB3  LEU   8           HB2      LEU   8   3.389   1.295   4.758
   50    HG   LEU   8           HG       LEU   8   5.022   2.866   5.266
   51   HD11  LEU   8          HD11      LEU   8   2.907   3.948   4.470
   52   HD12  LEU   8          HD12      LEU   8   3.982   5.019   5.393
   53   HD13  LEU   8          HD13      LEU   8   2.526   4.353   6.150
   54   HD21  LEU   8          HD21      LEU   8   5.272   2.351   7.660
   55   HD22  LEU   8          HD22      LEU   8   3.837   3.340   8.018
   56   HD23  LEU   8          HD23      LEU   8   5.290   4.094   7.330
   57    H    ASP   9           H        ASP   9   1.139   0.502   4.209
   58    HA   ASP   9           HA       ASP   9   0.572   2.668   2.674
   59    HB2  ASP   9           HB2      ASP   9   0.701   0.110   2.212
   60    HB3  ASP   9           HB3      ASP   9  -1.040   0.135   2.388
   61    H    SER  10           H        SER  10  -2.123   0.985   4.241
   62    HA   SER  10           HA       SER  10  -4.138   1.691   5.040
   63    HB2  SER  10           HB3      SER  10  -2.397   2.851   6.457
   64    HB3  SER  10           HB2      SER  10  -2.744   4.331   5.553
   65    HG   SER  10           HG       SER  10  -5.019   3.854   6.091
   66    H    VAL  11           H        VAL  11  -3.139   3.420   2.320
   67    HA   VAL  11           HA       VAL  11  -5.807   4.704   1.882
   68    HB   VAL  11           HB       VAL  11  -3.078   5.896   1.244
   69   HG11  VAL  11          HG11      VAL  11  -5.867   7.132   1.192
   70   HG12  VAL  11          HG12      VAL  11  -4.333   7.968   0.840
   71   HG13  VAL  11          HG13      VAL  11  -4.902   6.692  -0.236
   72   HG21  VAL  11          HG21      VAL  11  -3.581   7.569   3.028
   73   HG22  VAL  11          HG22      VAL  11  -4.957   6.563   3.547
   74   HG23  VAL  11          HG23      VAL  11  -3.282   5.952   3.657
   75    H    SER  12           H        SER  12  -2.743   3.703   0.118
   76    HA   SER  12           HA       SER  12  -4.235   3.684  -2.401
   77    HB2  SER  12           HB3      SER  12  -1.781   4.201  -2.293
   78    HB3  SER  12           HB2      SER  12  -1.509   2.495  -1.876
   79    HG   SER  12           HG       SER  12  -2.911   2.133  -3.845
   80    H    GLY  13           H        GLY  13  -3.802   1.400   0.128
   81    HA2  GLY  13           HA3      GLY  13  -5.252  -0.445   0.449
   82    HA3  GLY  13           HA2      GLY  13  -5.676  -0.416  -1.258
   83    H    GLN  14           H        GLN  14  -2.251  -0.435  -0.399
   84    HA   GLN  14           HA       GLN  14  -2.063  -3.286  -1.250
   85    HB2  GLN  14           HB3      GLN  14  -1.695  -0.983  -2.920
   86    HB3  GLN  14           HB2      GLN  14  -0.115  -1.674  -2.678
   87    HG2  GLN  14           HG3      GLN  14  -2.520  -3.262  -3.625
   88    HG3  GLN  14           HG2      GLN  14  -1.337  -2.511  -4.692
   89   HE21  GLN  14          HE21      GLN  14   1.196  -3.186  -3.669
   90   HE22  GLN  14          HE22      GLN  14   1.227  -4.941  -3.597
   91    H    TYR  15           H        TYR  15   0.455  -3.806  -1.465
   92    HA   TYR  15           HA       TYR  15   1.283  -4.098   1.255
   93    HB2  TYR  15           HB3      TYR  15   2.196  -5.012  -1.462
   94    HB3  TYR  15           HB2      TYR  15   3.143  -5.411  -0.060
   95    HD1  TYR  15           HD2      TYR  15   1.753  -6.481   1.977
   96    HD2  TYR  15           HD1      TYR  15   0.609  -6.582  -2.176
   97    HE1  TYR  15           HE2      TYR  15   0.334  -8.472   2.413
   98    HE2  TYR  15           HE1      TYR  15  -0.827  -8.550  -1.736
   99    HH   TYR  15           HH       TYR  15  -0.985 -10.074   1.474
  100    H    TRP  16           H        TRP  16   1.769  -1.978   1.911
  101    HA   TRP  16           HA       TRP  16   3.276  -0.701   2.988
  102    HB2  TRP  16           HB3      TRP  16   4.327  -2.761   3.410
  103    HB3  TRP  16           HB2      TRP  16   5.295  -2.646   1.948
  104    HD1  TRP  16           HD1      TRP  16   7.283  -0.866   1.942
  105    HE1  TRP  16           HE1      TRP  16   8.791  -0.086   3.861
  106    HE3  TRP  16           HE3      TRP  16   4.352  -2.189   5.879
  107    HZ2  TRP  16           HZ2      TRP  16   8.538   0.335   6.751
  108    HZ3  TRP  16           HZ3      TRP  16   5.013  -1.644   8.213
  109    HH2  TRP  16           HH2      TRP  16   7.087  -0.359   8.651
  110    H    ASP  17           H        ASP  17   3.673   1.218   2.735
  111    HA   ASP  17           HA       ASP  17   4.488   2.323   0.116
  112    HB2  ASP  17           HB3      ASP  17   2.283   2.495   1.737
  113    HB3  ASP  17           HB2      ASP  17   3.070   4.003   2.122
  114    H    GLN  18           H        GLN  18   6.389   1.762   2.551
  115    HA   GLN  18           HA       GLN  18   7.179   4.432   3.389
  116    HB2  GLN  18           HB3      GLN  18   7.803   2.470   4.773
  117    HB3  GLN  18           HB2      GLN  18   8.933   1.947   3.486
  118    HG2  GLN  18           HG3      GLN  18  10.230   3.979   3.696
  119    HG3  GLN  18           HG2      GLN  18   8.994   4.708   4.739
  120   HE21  GLN  18          HE21      GLN  18  10.325   1.366   5.377
  121   HE22  GLN  18          HE22      GLN  18  11.155   1.977   6.792
  122    H    HIS  19           H        HIS  19   8.334   5.853   2.335
  123    HA   HIS  19           HA       HIS  19   9.802   5.870   0.002
  124    HB2  HIS  19           HB3      HIS  19  10.803   7.853   0.807
  125    HB3  HIS  19           HB2      HIS  19   9.209   7.798   1.524
  126    HD1  HIS  19           HD1      HIS  19   9.519   6.440   4.246
  127    HD2  HIS  19           HD2      HIS  19  12.657   8.548   2.390
  128    HE1  HIS  19           HE1      HIS  19  11.271   6.829   6.070
  129    HE2  HIS  19           HE2      HIS  19  13.165   8.204   4.954
  130    H    ALA  20           H        ALA  20  10.592   3.270   1.063
  131    HA   ALA  20           HA       ALA  20  13.513   3.406   0.933
  132    HB1  ALA  20           HB1      ALA  20  12.028   1.980   3.197
  133    HB2  ALA  20           HB2      ALA  20  13.779   1.999   2.948
  134    HB3  ALA  20           HB3      ALA  20  12.942   3.499   3.386
  135    HA   PRO  21           HA       PRO  21  12.542  -0.011  -1.672
  136    HB2  PRO  21           HB3      PRO  21  14.773  -1.606  -1.675
  137    HB3  PRO  21           HB2      PRO  21  14.736   0.030  -2.398
  138    HG2  PRO  21           HG3      PRO  21  15.711  -0.772   0.365
  139    HG3  PRO  21           HG2      PRO  21  16.549   0.252  -0.844
  140    HD2  PRO  21           HD3      PRO  21  15.128   1.343   1.196
  141    HD3  PRO  21           HD2      PRO  21  15.099   2.082  -0.433
  142    H    LEU  22           H        LEU  22  13.351  -0.837   1.625
  143    HA   LEU  22           HA       LEU  22  11.310  -2.803   1.714
  144    HB2  LEU  22           HB3      LEU  22  12.667  -4.692   2.582
  145    HB3  LEU  22           HB2      LEU  22  12.984  -4.313   0.916
  146    HG   LEU  22           HG       LEU  22  14.904  -2.779   2.383
  147   HD11  LEU  22          HD11      LEU  22  14.762  -5.643   3.403
  148   HD12  LEU  22          HD12      LEU  22  14.451  -4.196   4.360
  149   HD13  LEU  22          HD13      LEU  22  16.074  -4.484   3.704
  150   HD21  LEU  22          HD21      LEU  22  15.201  -5.412   0.904
  151   HD22  LEU  22          HD22      LEU  22  16.518  -4.288   1.303
  152   HD23  LEU  22          HD23      LEU  22  15.238  -3.792   0.174
  153    H    ALA  23           H        ALA  23  11.550  -3.879   4.141
  154    HA   ALA  23           HA       ALA  23  12.505  -1.984   6.131
  155    HB1  ALA  23           HB1      ALA  23   9.506  -2.429   5.825
  156    HB2  ALA  23           HB2      ALA  23  10.304  -1.515   7.121
  157    HB3  ALA  23           HB3      ALA  23  10.372  -0.917   5.450
  158    H    ASP  24           H        ASP  24  11.927  -5.160   5.238
  159    HA   ASP  24           HA       ASP  24  12.243  -6.346   7.817
  160    HB2  ASP  24           HB3      ASP  24   9.700  -6.145   7.202
  161    HB3  ASP  24           HB2      ASP  24  10.054  -7.254   5.891
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   2.011   0.486  -0.116
    2    HA2  GLY   1           HA3      GLY   1   1.583   2.356  -2.412
    3    HA3  GLY   1           HA2      GLY   1   3.111   2.078  -1.570
    4    HA   PRO   2           HA       PRO   2   2.889  -0.764  -5.300
    5    HB2  PRO   2           HB3      PRO   2   4.567   0.416  -7.059
    6    HB3  PRO   2           HB2      PRO   2   2.909   1.014  -6.780
    7    HG2  PRO   2           HG3      PRO   2   5.467   2.035  -5.481
    8    HG3  PRO   2           HG2      PRO   2   4.236   2.990  -6.375
    9    HD2  PRO   2           HD3      PRO   2   4.204   2.743  -3.652
   10    HD3  PRO   2           HD2      PRO   2   2.685   2.812  -4.592
   11    H    THR   3           H        THR   3   4.063  -1.479  -3.021
   12    HA   THR   3           HA       THR   3   6.808  -2.502  -3.594
   13    HB   THR   3           HB       THR   3   5.699  -0.804  -1.357
   14    HG1  THR   3           HG1      THR   3   7.375   0.407  -1.756
   15   HG21  THR   3          HG21      THR   3   7.609  -1.027   0.017
   16   HG22  THR   3          HG22      THR   3   8.378  -2.178  -1.066
   17   HG23  THR   3          HG23      THR   3   6.877  -2.620  -0.160
   18    HA   PRO   4           HA       PRO   4   4.715  -6.098  -1.827
   19    HB2  PRO   4           HB3      PRO   4   6.691  -7.800  -1.083
   20    HB3  PRO   4           HB2      PRO   4   6.430  -7.270  -2.772
   21    HG2  PRO   4           HG3      PRO   4   8.388  -6.144  -0.752
   22    HG3  PRO   4           HG2      PRO   4   8.720  -6.661  -2.430
   23    HD2  PRO   4           HD3      PRO   4   8.281  -4.078  -1.803
   24    HD3  PRO   4           HD2      PRO   4   7.670  -4.757  -3.320
   25    H    MET   5           H        MET   5   6.404  -4.363   0.716
   26    HA   MET   5           HA       MET   5   5.779  -6.313   2.820
   27    HB2  MET   5           HB3      MET   5   7.053  -3.573   2.779
   28    HB3  MET   5           HB2      MET   5   6.518  -4.270   4.296
   29    HG2  MET   5           HG3      MET   5   8.801  -4.779   4.083
   30    HG3  MET   5           HG2      MET   5   7.881  -6.262   3.944
   31    HE1  MET   5           HE1      MET   5  10.042  -4.221   0.381
   32    HE2  MET   5           HE2      MET   5   8.334  -3.884   0.681
   33    HE3  MET   5           HE3      MET   5   9.535  -3.407   1.889
   34    H    VAL   6           H        VAL   6   4.577  -5.591   4.899
   35    HA   VAL   6           HA       VAL   6   1.934  -4.653   3.929
   36    HB   VAL   6           HB       VAL   6   2.112  -6.883   4.901
   37   HG11  VAL   6          HG11      VAL   6   2.270  -7.250   7.287
   38   HG12  VAL   6          HG12      VAL   6   3.745  -6.451   6.725
   39   HG13  VAL   6          HG13      VAL   6   2.512  -5.518   7.593
   40   HG21  VAL   6          HG21      VAL   6   0.070  -6.771   6.176
   41   HG22  VAL   6          HG22      VAL   6   0.285  -5.038   6.484
   42   HG23  VAL   6          HG23      VAL   6  -0.021  -5.632   4.832
   43    H    GLY   7           H        GLY   7   0.815  -2.944   4.669
   44    HA2  GLY   7           HA3      GLY   7   0.141  -1.303   6.304
   45    HA3  GLY   7           HA2      GLY   7   1.735  -1.403   7.063
   46    H    LEU   8           H        LEU   8   1.525   0.963   6.910
   47    HA   LEU   8           HA       LEU   8   1.993   3.025   6.237
   48    HB2  LEU   8           HB3      LEU   8   4.120   1.453   5.440
   49    HB3  LEU   8           HB2      LEU   8   3.766   2.310   3.965
   50    HG   LEU   8           HG       LEU   8   5.513   3.395   5.171
   51   HD11  LEU   8          HD11      LEU   8   4.713   5.669   5.346
   52   HD12  LEU   8          HD12      LEU   8   3.031   5.118   5.479
   53   HD13  LEU   8          HD13      LEU   8   3.929   4.874   3.972
   54   HD21  LEU   8          HD21      LEU   8   3.625   3.746   7.522
   55   HD22  LEU   8          HD22      LEU   8   5.293   4.323   7.403
   56   HD23  LEU   8          HD23      LEU   8   4.963   2.584   7.430
   57    H    ASP   9           H        ASP   9   1.389   1.193   3.291
   58    HA   ASP   9           HA       ASP   9   0.450   3.275   1.572
   59    HB2  ASP   9           HB2      ASP   9   0.742   0.424   1.514
   60    HB3  ASP   9           HB3      ASP   9  -0.955   0.710   1.274
   61    H    SER  10           H        SER  10  -1.187   4.605   1.933
   62    HA   SER  10           HA       SER  10  -1.938   4.698   4.516
   63    HB2  SER  10           HB3      SER  10  -3.282   6.313   2.319
   64    HB3  SER  10           HB2      SER  10  -3.098   6.764   4.025
   65    HG   SER  10           HG       SER  10  -0.717   6.335   3.492
   66    H    VAL  11           H        VAL  11  -3.663   2.839   2.555
   67    HA   VAL  11           HA       VAL  11  -5.295   2.057   4.737
   68    HB   VAL  11           HB       VAL  11  -6.842   2.522   2.140
   69   HG11  VAL  11          HG11      VAL  11  -7.635   1.183   4.760
   70   HG12  VAL  11          HG12      VAL  11  -8.774   1.612   3.461
   71   HG13  VAL  11          HG13      VAL  11  -7.515   0.413   3.165
   72   HG21  VAL  11          HG21      VAL  11  -7.270   3.756   4.887
   73   HG22  VAL  11          HG22      VAL  11  -6.715   4.605   3.433
   74   HG23  VAL  11          HG23      VAL  11  -8.348   3.935   3.482
   75    H    SER  12           H        SER  12  -5.226   1.511   1.257
   76    HA   SER  12           HA       SER  12  -3.233  -0.450   1.120
   77    HB2  SER  12           HB3      SER  12  -4.515  -2.473   0.551
   78    HB3  SER  12           HB2      SER  12  -4.732  -2.026   2.248
   79    HG   SER  12           HG       SER  12  -6.474  -1.344   0.127
   80    H    GLY  13           H        GLY  13  -2.667   0.897  -0.708
   81    HA2  GLY  13           HA3      GLY  13  -4.419   0.779  -3.118
   82    HA3  GLY  13           HA2      GLY  13  -2.841   1.584  -2.956
   83    H    GLN  14           H        GLN  14  -1.250  -0.128  -1.923
   84    HA   GLN  14           HA       GLN  14  -1.755  -2.932  -2.588
   85    HB2  GLN  14           HB3      GLN  14   0.330  -1.329  -3.943
   86    HB3  GLN  14           HB2      GLN  14   0.979  -2.769  -3.191
   87    HG2  GLN  14           HG3      GLN  14  -1.459  -2.957  -4.978
   88    HG3  GLN  14           HG2      GLN  14   0.152  -2.789  -5.669
   89   HE21  GLN  14          HE21      GLN  14   1.789  -4.461  -4.038
   90   HE22  GLN  14          HE22      GLN  14   1.088  -6.076  -4.264
   91    H    TYR  15           H        TYR  15   1.304  -1.523  -1.534
   92    HA   TYR  15           HA       TYR  15   1.177  -2.642   1.200
   93    HB2  TYR  15           HB3      TYR  15   2.168  -3.887  -1.348
   94    HB3  TYR  15           HB2      TYR  15   3.078  -4.233   0.072
   95    HD1  TYR  15           HD1      TYR  15   0.597  -4.491   2.016
   96    HD2  TYR  15           HD2      TYR  15   1.574  -6.070  -1.864
   97    HE1  TYR  15           HE1      TYR  15  -0.935  -6.420   2.412
   98    HE2  TYR  15           HE2      TYR  15   0.051  -7.992  -1.474
   99    HH   TYR  15           HH       TYR  15  -1.424  -8.913  -0.077
  100    H    TRP  16           H        TRP  16   2.301  -1.058   2.267
  101    HA   TRP  16           HA       TRP  16   3.938   0.263   3.026
  102    HB2  TRP  16           HB3      TRP  16   4.684  -2.016   3.168
  103    HB3  TRP  16           HB2      TRP  16   5.663  -1.817   1.729
  104    HD1  TRP  16           HD1      TRP  16   8.079  -1.140   2.194
  105    HE1  TRP  16           HE1      TRP  16   9.473  -0.870   4.331
  106    HE3  TRP  16           HE3      TRP  16   4.320  -0.931   5.625
  107    HZ2  TRP  16           HZ2      TRP  16   8.998  -0.207   7.121
  108    HZ3  TRP  16           HZ3      TRP  16   4.803  -0.494   8.021
  109    HH2  TRP  16           HH2      TRP  16   7.138  -0.123   8.776
  110    H    ASP  17           H        ASP  17   3.257   2.063   1.716
  111    HA   ASP  17           HA       ASP  17   4.925   3.287  -0.275
  112    HB2  ASP  17           HB3      ASP  17   2.845   4.181   1.713
  113    HB3  ASP  17           HB2      ASP  17   3.833   5.419   0.967
  114    H    GLN  18           H        GLN  18   6.577   2.108   1.901
  115    HA   GLN  18           HA       GLN  18   7.623   4.367   3.462
  116    HB2  GLN  18           HB3      GLN  18   7.492   1.998   4.296
  117    HB3  GLN  18           HB2      GLN  18   8.728   1.569   3.095
  118    HG2  GLN  18           HG3      GLN  18   9.719   1.828   5.319
  119    HG3  GLN  18           HG2      GLN  18  10.354   3.042   4.217
  120   HE21  GLN  18          HE21      GLN  18   7.873   2.588   6.822
  121   HE22  GLN  18          HE22      GLN  18   7.919   4.290   7.281
  122    H    HIS  19           H        HIS  19   9.367   5.497   3.061
  123    HA   HIS  19           HA       HIS  19  10.737   5.564   0.525
  124    HB2  HIS  19           HB3      HIS  19  11.856   7.452   1.331
  125    HB3  HIS  19           HB2      HIS  19  10.261   7.523   2.055
  126    HD1  HIS  19           HD1      HIS  19  10.410   6.294   4.827
  127    HD2  HIS  19           HD2      HIS  19  13.815   7.863   2.867
  128    HE1  HIS  19           HE1      HIS  19  12.132   6.703   6.637
  129    HE2  HIS  19           HE2      HIS  19  14.247   7.653   5.456
  130    H    ALA  20           H        ALA  20  11.113   2.944   1.641
  131    HA   ALA  20           HA       ALA  20  14.026   2.696   1.569
  132    HB1  ALA  20           HB1      ALA  20  13.499   2.883   4.008
  133    HB2  ALA  20           HB2      ALA  20  12.362   1.517   3.850
  134    HB3  ALA  20           HB3      ALA  20  14.091   1.262   3.593
  135    HA   PRO  21           HA       PRO  21  12.734  -0.537  -1.057
  136    HB2  PRO  21           HB3      PRO  21  14.874  -2.237  -1.193
  137    HB3  PRO  21           HB2      PRO  21  14.941  -0.551  -1.778
  138    HG2  PRO  21           HG3      PRO  21  15.840  -1.614   0.923
  139    HG3  PRO  21           HG2      PRO  21  16.765  -0.584  -0.217
  140    HD2  PRO  21           HD3      PRO  21  15.404   0.486   1.875
  141    HD3  PRO  21           HD2      PRO  21  15.441   1.317   0.288
  142    H    LEU  22           H        LEU  22  13.605  -1.600   2.145
  143    HA   LEU  22           HA       LEU  22  11.615  -3.711   2.198
  144    HB2  LEU  22           HB3      LEU  22  14.551  -4.289   2.796
  145    HB3  LEU  22           HB2      LEU  22  13.223  -5.249   3.390
  146    HG   LEU  22           HG       LEU  22  12.599  -5.235   0.710
  147   HD11  LEU  22          HD11      LEU  22  14.812  -4.129   0.207
  148   HD12  LEU  22          HD12      LEU  22  14.633  -5.737  -0.524
  149   HD13  LEU  22          HD13      LEU  22  15.625  -5.530   0.941
  150   HD21  LEU  22          HD21      LEU  22  14.345  -7.202   2.229
  151   HD22  LEU  22          HD22      LEU  22  13.467  -7.541   0.708
  152   HD23  LEU  22          HD23      LEU  22  12.582  -7.169   2.202
  153    H    ALA  23           H        ALA  23  11.888  -4.601   4.701
  154    HA   ALA  23           HA       ALA  23  12.671  -2.569   6.596
  155    HB1  ALA  23           HB1      ALA  23  10.451  -2.526   7.753
  156    HB2  ALA  23           HB2      ALA  23  10.407  -1.748   6.152
  157    HB3  ALA  23           HB3      ALA  23   9.723  -3.378   6.377
  158    H    ASP  24           H        ASP  24  10.482  -5.361   6.374
  159    HA   ASP  24           HA       ASP  24  11.823  -7.134   8.198
  160    HB2  ASP  24           HB3      ASP  24  10.072  -7.972   5.880
  161    HB3  ASP  24           HB2      ASP  24  10.170  -8.651   7.498
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1   1.194  -0.517   0.258
    2    HA2  GLY   1           HA3      GLY   1   0.748   1.500  -1.892
    3    HA3  GLY   1           HA2      GLY   1   2.306   1.375  -1.084
    4    HA   PRO   2           HA       PRO   2   2.197  -1.604  -4.672
    5    HB2  PRO   2           HB3      PRO   2   3.492  -0.319  -6.676
    6    HB3  PRO   2           HB2      PRO   2   1.814   0.086  -6.231
    7    HG2  PRO   2           HG3      PRO   2   4.350   1.483  -5.300
    8    HG3  PRO   2           HG2      PRO   2   2.894   2.215  -6.057
    9    HD2  PRO   2           HD3      PRO   2   3.241   2.114  -3.332
   10    HD3  PRO   2           HD2      PRO   2   1.632   1.975  -4.098
   11    H    THR   3           H        THR   3   3.765  -2.201  -2.533
   12    HA   THR   3           HA       THR   3   6.325  -3.003  -3.779
   13    HB   THR   3           HB       THR   3   6.116  -0.877  -1.980
   14    HG1  THR   3           HG1      THR   3   8.297  -0.914  -2.168
   15   HG21  THR   3          HG21      THR   3   6.068  -2.461  -0.024
   16   HG22  THR   3          HG22      THR   3   7.411  -1.309  -0.100
   17   HG23  THR   3          HG23      THR   3   7.686  -2.993  -0.520
   18    HA   PRO   4           HA       PRO   4   5.275  -6.805  -1.787
   19    HB2  PRO   4           HB3      PRO   4   7.583  -8.053  -0.979
   20    HB3  PRO   4           HB2      PRO   4   7.130  -7.748  -2.678
   21    HG2  PRO   4           HG3      PRO   4   8.960  -6.121  -0.910
   22    HG3  PRO   4           HG2      PRO   4   9.247  -6.670  -2.587
   23    HD2  PRO   4           HD3      PRO   4   8.379  -4.164  -2.084
   24    HD3  PRO   4           HD2      PRO   4   7.765  -5.073  -3.479
   25    H    MET   5           H        MET   5   6.372  -4.627   0.691
   26    HA   MET   5           HA       MET   5   6.210  -6.684   2.831
   27    HB2  MET   5           HB3      MET   5   7.183  -3.850   2.679
   28    HB3  MET   5           HB2      MET   5   6.579  -4.407   4.231
   29    HG2  MET   5           HG3      MET   5   8.956  -4.779   4.132
   30    HG3  MET   5           HG2      MET   5   8.099  -6.299   4.253
   31    HE1  MET   5           HE1      MET   5   9.545  -3.730   1.923
   32    HE2  MET   5           HE2      MET   5  10.368  -4.641   0.620
   33    HE3  MET   5           HE3      MET   5   8.608  -4.429   0.597
   34    H    VAL   6           H        VAL   6   4.994  -6.091   4.915
   35    HA   VAL   6           HA       VAL   6   2.213  -5.301   4.101
   36    HB   VAL   6           HB       VAL   6   2.483  -7.679   4.456
   37   HG11  VAL   6          HG11      VAL   6   4.200  -7.681   6.264
   38   HG12  VAL   6          HG12      VAL   6   2.994  -7.054   7.398
   39   HG13  VAL   6          HG13      VAL   6   2.782  -8.657   6.666
   40   HG21  VAL   6          HG21      VAL   6   0.322  -6.538   4.809
   41   HG22  VAL   6          HG22      VAL   6   0.506  -7.993   5.799
   42   HG23  VAL   6          HG23      VAL   6   0.689  -6.395   6.545
   43    H    GLY   7           H        GLY   7   1.208  -3.742   5.043
   44    HA2  GLY   7           HA3      GLY   7   0.541  -2.621   7.197
   45    HA3  GLY   7           HA2      GLY   7   2.264  -2.575   7.600
   46    H    LEU   8           H        LEU   8   1.774  -0.259   7.795
   47    HA   LEU   8           HA       LEU   8   1.988   1.893   7.259
   48    HB2  LEU   8           HB3      LEU   8   4.112   0.729   6.413
   49    HB3  LEU   8           HB2      LEU   8   3.503   1.008   4.796
   50    HG   LEU   8           HG       LEU   8   5.143   2.622   5.290
   51   HD11  LEU   8          HD11      LEU   8   4.092   4.743   4.991
   52   HD12  LEU   8          HD12      LEU   8   2.565   4.171   5.670
   53   HD13  LEU   8          HD13      LEU   8   3.132   3.538   4.114
   54   HD21  LEU   8          HD21      LEU   8   5.098   4.135   7.199
   55   HD22  LEU   8          HD22      LEU   8   5.110   2.445   7.740
   56   HD23  LEU   8          HD23      LEU   8   3.606   3.390   7.799
   57    H    ASP   9           H        ASP   9   1.315   0.439   4.118
   58    HA   ASP   9           HA       ASP   9   0.785   2.524   2.494
   59    HB2  ASP   9           HB2      ASP   9   0.770  -0.077   2.233
   60    HB3  ASP   9           HB3      ASP   9  -0.962   0.065   2.380
   61    H    SER  10           H        SER  10  -1.887   0.954   4.175
   62    HA   SER  10           HA       SER  10  -3.962   1.552   4.874
   63    HB2  SER  10           HB3      SER  10  -2.328   2.655   6.411
   64    HB3  SER  10           HB2      SER  10  -2.626   4.177   5.546
   65    HG   SER  10           HG       SER  10  -4.918   3.728   6.015
   66    H    VAL  11           H        VAL  11  -2.979   3.478   2.258
   67    HA   VAL  11           HA       VAL  11  -5.771   4.504   1.836
   68    HB   VAL  11           HB       VAL  11  -3.209   6.078   1.332
   69   HG11  VAL  11          HG11      VAL  11  -6.156   6.852   1.150
   70   HG12  VAL  11          HG12      VAL  11  -4.787   7.977   0.985
   71   HG13  VAL  11          HG13      VAL  11  -5.015   6.694  -0.207
   72   HG21  VAL  11          HG21      VAL  11  -4.021   7.590   3.156
   73   HG22  VAL  11          HG22      VAL  11  -5.252   6.374   3.575
   74   HG23  VAL  11          HG23      VAL  11  -3.517   6.003   3.733
   75    H    SER  12           H        SER  12  -2.558   3.994   0.181
   76    HA   SER  12           HA       SER  12  -3.701   3.887  -2.407
   77    HB2  SER  12           HB3      SER  12  -1.174   2.432  -1.656
   78    HB3  SER  12           HB2      SER  12  -1.580   3.244  -3.160
   79    HG   SER  12           HG       SER  12  -0.317   4.184  -0.993
   80    H    GLY  13           H        GLY  13  -3.704   1.541   0.065
   81    HA2  GLY  13           HA3      GLY  13  -5.433  -0.084   0.161
   82    HA3  GLY  13           HA2      GLY  13  -5.509  -0.104  -1.594
   83    H    GLN  14           H        GLN  14  -2.301  -0.480  -0.350
   84    HA   GLN  14           HA       GLN  14  -2.347  -3.375  -1.065
   85    HB2  GLN  14           HB3      GLN  14  -2.149  -1.357  -2.879
   86    HB3  GLN  14           HB2      GLN  14  -0.482  -1.514  -2.516
   87    HG2  GLN  14           HG3      GLN  14  -2.330  -3.767  -3.437
   88    HG3  GLN  14           HG2      GLN  14  -1.463  -2.715  -4.538
   89   HE21  GLN  14          HE21      GLN  14   1.233  -2.835  -3.034
   90   HE22  GLN  14          HE22      GLN  14   1.708  -4.473  -3.441
   91    H    TYR  15           H        TYR  15   0.406  -3.739  -1.379
   92    HA   TYR  15           HA       TYR  15   1.218  -4.006   1.388
   93    HB2  TYR  15           HB3      TYR  15   2.132  -5.024  -1.282
   94    HB3  TYR  15           HB2      TYR  15   3.058  -5.355   0.146
   95    HD1  TYR  15           HD2      TYR  15   1.703  -6.417   2.177
   96    HD2  TYR  15           HD1      TYR  15   0.451  -6.499  -1.932
   97    HE1  TYR  15           HE2      TYR  15   0.169  -8.340   2.678
   98    HE2  TYR  15           HE1      TYR  15  -1.085  -8.374  -1.450
   99    HH   TYR  15           HH       TYR  15  -1.782  -9.848   0.105
  100    H    TRP  16           H        TRP  16   1.651  -1.940   2.039
  101    HA   TRP  16           HA       TRP  16   3.094  -0.467   2.989
  102    HB2  TRP  16           HB3      TRP  16   4.105  -2.555   3.445
  103    HB3  TRP  16           HB2      TRP  16   5.057  -2.501   1.979
  104    HD1  TRP  16           HD1      TRP  16   7.084  -0.751   1.938
  105    HE1  TRP  16           HE1      TRP  16   8.722  -0.218   3.832
  106    HE3  TRP  16           HE3      TRP  16   4.285  -2.207   5.933
  107    HZ2  TRP  16           HZ2      TRP  16   8.569   0.173   6.731
  108    HZ3  TRP  16           HZ3      TRP  16   5.075  -1.801   8.258
  109    HH2  TRP  16           HH2      TRP  16   7.175  -0.543   8.660
  110    H    ASP  17           H        ASP  17   2.885   1.517   2.148
  111    HA   ASP  17           HA       ASP  17   4.263   2.483  -0.215
  112    HB2  ASP  17           HB3      ASP  17   2.473   3.658   1.909
  113    HB3  ASP  17           HB2      ASP  17   3.389   4.772   0.935
  114    H    GLN  18           H        GLN  18   6.072   1.695   2.394
  115    HA   GLN  18           HA       GLN  18   7.040   4.281   3.162
  116    HB2  GLN  18           HB3      GLN  18   7.545   2.308   4.583
  117    HB3  GLN  18           HB2      GLN  18   8.754   1.790   3.361
  118    HG2  GLN  18           HG3      GLN  18  10.056   3.791   3.665
  119    HG3  GLN  18           HG2      GLN  18   8.764   4.545   4.605
  120   HE21  GLN  18          HE21      GLN  18  10.394   1.265   5.173
  121   HE22  GLN  18          HE22      GLN  18  10.931   1.854   6.734
  122    H    HIS  19           H        HIS  19   8.214   5.654   2.197
  123    HA   HIS  19           HA       HIS  19   9.638   5.835  -0.116
  124    HB2  HIS  19           HB3      HIS  19  10.650   7.786   0.826
  125    HB3  HIS  19           HB2      HIS  19   9.064   7.641   1.557
  126    HD1  HIS  19           HD1      HIS  19   9.148   6.663   4.257
  127    HD2  HIS  19           HD2      HIS  19  12.764   7.679   2.339
  128    HE1  HIS  19           HE1      HIS  19  10.962   6.571   6.071
  129    HE2  HIS  19           HE2      HIS  19  13.164   7.284   4.915
  130    H    ALA  20           H        ALA  20  10.554   3.215   1.169
  131    HA   ALA  20           HA       ALA  20  13.457   3.431   0.781
  132    HB1  ALA  20           HB1      ALA  20  13.162   3.642   3.230
  133    HB2  ALA  20           HB2      ALA  20  12.096   2.218   3.237
  134    HB3  ALA  20           HB3      ALA  20  13.811   2.037   2.852
  135    HA   PRO  21           HA       PRO  21  12.449  -0.043  -1.663
  136    HB2  PRO  21           HB3      PRO  21  14.680  -1.628  -1.714
  137    HB3  PRO  21           HB2      PRO  21  14.638   0.019  -2.420
  138    HG2  PRO  21           HG3      PRO  21  15.628  -0.794   0.338
  139    HG3  PRO  21           HG2      PRO  21  16.484   0.195  -0.890
  140    HD2  PRO  21           HD3      PRO  21  15.098   1.356   1.130
  141    HD3  PRO  21           HD2      PRO  21  15.052   2.053  -0.519
  142    H    LEU  22           H        LEU  22  13.180  -0.737   1.656
  143    HA   LEU  22           HA       LEU  22  11.439  -2.984   1.769
  144    HB2  LEU  22           HB3      LEU  22  13.019  -4.681   2.453
  145    HB3  LEU  22           HB2      LEU  22  13.371  -4.100   0.872
  146    HG   LEU  22           HG       LEU  22  15.039  -2.462   2.375
  147   HD11  LEU  22          HD11      LEU  22  14.579  -3.737   4.469
  148   HD12  LEU  22          HD12      LEU  22  16.260  -3.924   3.946
  149   HD13  LEU  22          HD13      LEU  22  15.079  -5.219   3.669
  150   HD21  LEU  22          HD21      LEU  22  15.646  -5.200   1.217
  151   HD22  LEU  22          HD22      LEU  22  16.844  -3.936   1.573
  152   HD23  LEU  22          HD23      LEU  22  15.614  -3.669   0.316
  153    H    ALA  23           H        ALA  23  12.016  -4.009   4.288
  154    HA   ALA  23           HA       ALA  23  12.449  -1.817   6.143
  155    HB1  ALA  23           HB1      ALA  23  10.080  -1.432   5.661
  156    HB2  ALA  23           HB2      ALA  23   9.692  -3.137   5.970
  157    HB3  ALA  23           HB3      ALA  23  10.260  -2.105   7.298
  158    H    ASP  24           H        ASP  24  10.670  -4.889   6.338
  159    HA   ASP  24           HA       ASP  24  12.724  -6.467   7.654
  160    HB2  ASP  24           HB3      ASP  24  10.603  -7.502   5.771
  161    HB3  ASP  24           HB2      ASP  24  11.267  -8.255   7.211
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1   1.915  -0.193   0.294
    2    HA2  GLY   1           HA3      GLY   1   0.923   1.376  -2.040
    3    HA3  GLY   1           HA2      GLY   1   2.595   1.293  -1.491
    4    HA   PRO   2           HA       PRO   2   2.203  -1.849  -4.892
    5    HB2  PRO   2           HB3      PRO   2   3.493  -0.599  -6.930
    6    HB3  PRO   2           HB2      PRO   2   1.815  -0.195  -6.495
    7    HG2  PRO   2           HG3      PRO   2   4.347   1.253  -5.632
    8    HG3  PRO   2           HG2      PRO   2   2.868   1.949  -6.369
    9    HD2  PRO   2           HD3      PRO   2   3.300   1.895  -3.645
   10    HD3  PRO   2           HD2      PRO   2   1.669   1.768  -4.368
   11    H    THR   3           H        THR   3   3.706  -2.371  -2.773
   12    HA   THR   3           HA       THR   3   6.445  -2.988  -3.760
   13    HB   THR   3           HB       THR   3   5.671  -0.992  -1.793
   14    HG1  THR   3           HG1      THR   3   7.808  -0.470  -2.078
   15   HG21  THR   3          HG21      THR   3   7.177  -1.320  -0.041
   16   HG22  THR   3          HG22      THR   3   7.849  -2.779  -0.745
   17   HG23  THR   3          HG23      THR   3   6.180  -2.785  -0.095
   18    HA   PRO   4           HA       PRO   4   5.469  -6.829  -1.852
   19    HB2  PRO   4           HB3      PRO   4   7.876  -8.011  -1.235
   20    HB3  PRO   4           HB2      PRO   4   7.267  -7.707  -2.883
   21    HG2  PRO   4           HG3      PRO   4   9.220  -6.061  -1.280
   22    HG3  PRO   4           HG2      PRO   4   9.335  -6.557  -2.988
   23    HD2  PRO   4           HD3      PRO   4   8.457  -4.079  -2.285
   24    HD3  PRO   4           HD2      PRO   4   7.783  -4.949  -3.680
   25    H    MET   5           H        MET   5   6.448  -4.607   0.536
   26    HA   MET   5           HA       MET   5   6.443  -6.647   2.733
   27    HB2  MET   5           HB3      MET   5   7.393  -3.788   2.549
   28    HB3  MET   5           HB2      MET   5   6.925  -4.441   4.103
   29    HG2  MET   5           HG3      MET   5   9.290  -4.671   3.851
   30    HG3  MET   5           HG2      MET   5   8.529  -6.246   3.953
   31    HE1  MET   5           HE1      MET   5   8.615  -4.419   0.251
   32    HE2  MET   5           HE2      MET   5   9.559  -3.524   1.452
   33    HE3  MET   5           HE3      MET   5  10.381  -4.410   0.137
   34    H    VAL   6           H        VAL   6   5.119  -6.260   4.682
   35    HA   VAL   6           HA       VAL   6   2.428  -5.342   3.836
   36    HB   VAL   6           HB       VAL   6   2.700  -7.664   4.513
   37   HG11  VAL   6          HG11      VAL   6   4.380  -7.452   6.314
   38   HG12  VAL   6          HG12      VAL   6   3.190  -6.613   7.333
   39   HG13  VAL   6          HG13      VAL   6   2.931  -8.307   6.864
   40   HG21  VAL   6          HG21      VAL   6   0.862  -6.172   6.414
   41   HG22  VAL   6          HG22      VAL   6   0.515  -6.496   4.695
   42   HG23  VAL   6          HG23      VAL   6   0.709  -7.835   5.833
   43    H    GLY   7           H        GLY   7   1.127  -3.954   4.964
   44    HA2  GLY   7           HA3      GLY   7   0.518  -2.604   6.882
   45    HA3  GLY   7           HA2      GLY   7   2.220  -2.525   7.357
   46    H    LEU   8           H        LEU   8   1.482  -0.218   7.469
   47    HA   LEU   8           HA       LEU   8   1.614   1.939   6.944
   48    HB2  LEU   8           HB3      LEU   8   3.883   0.711   6.103
   49    HB3  LEU   8           HB2      LEU   8   3.414   1.489   4.618
   50    HG   LEU   8           HG       LEU   8   4.991   2.830   5.685
   51   HD11  LEU   8          HD11      LEU   8   2.429   4.262   6.378
   52   HD12  LEU   8          HD12      LEU   8   3.062   4.088   4.726
   53   HD13  LEU   8          HD13      LEU   8   4.003   4.958   5.944
   54   HD21  LEU   8          HD21      LEU   8   4.812   3.749   7.947
   55   HD22  LEU   8          HD22      LEU   8   4.927   1.983   7.940
   56   HD23  LEU   8          HD23      LEU   8   3.358   2.770   8.235
   57    H    ASP   9           H        ASP   9   0.817   0.149   4.031
   58    HA   ASP   9           HA       ASP   9   0.269   2.261   2.255
   59    HB2  ASP   9           HB2      ASP   9   0.780  -0.366   2.059
   60    HB3  ASP   9           HB3      ASP   9  -0.948  -0.473   1.908
   61    H    SER  10           H        SER  10  -1.130   2.895   4.427
   62    HA   SER  10           HA       SER  10  -3.702   2.050   4.976
   63    HB2  SER  10           HB3      SER  10  -2.570   4.817   5.504
   64    HB3  SER  10           HB2      SER  10  -3.787   3.963   6.461
   65    HG   SER  10           HG       SER  10  -1.018   3.378   6.181
   66    H    VAL  11           H        VAL  11  -3.130   3.517   2.168
   67    HA   VAL  11           HA       VAL  11  -5.870   4.598   1.861
   68    HB   VAL  11           HB       VAL  11  -3.471   6.190   0.859
   69   HG11  VAL  11          HG11      VAL  11  -5.138   7.871   0.211
   70   HG12  VAL  11          HG12      VAL  11  -5.476   6.346  -0.596
   71   HG13  VAL  11          HG13      VAL  11  -6.454   6.827   0.801
   72   HG21  VAL  11          HG21      VAL  11  -5.373   6.835   3.148
   73   HG22  VAL  11          HG22      VAL  11  -3.626   6.531   3.265
   74   HG23  VAL  11          HG23      VAL  11  -4.201   7.971   2.425
   75    H    SER  12           H        SER  12  -2.730   4.028   0.149
   76    HA   SER  12           HA       SER  12  -3.826   3.481  -2.360
   77    HB2  SER  12           HB3      SER  12  -1.236   2.360  -1.312
   78    HB3  SER  12           HB2      SER  12  -1.651   2.788  -2.975
   79    HG   SER  12           HG       SER  12  -0.517   4.212  -1.059
   80    H    GLY  13           H        GLY  13  -3.693   1.354   0.400
   81    HA2  GLY  13           HA3      GLY  13  -5.413  -0.214   0.673
   82    HA3  GLY  13           HA2      GLY  13  -5.658  -0.262  -1.070
   83    H    GLN  14           H        GLN  14  -2.415  -0.775  -0.069
   84    HA   GLN  14           HA       GLN  14  -2.579  -3.649  -0.788
   85    HB2  GLN  14           HB3      GLN  14  -2.030  -1.296  -2.355
   86    HB3  GLN  14           HB2      GLN  14  -0.550  -2.146  -2.259
   87    HG2  GLN  14           HG3      GLN  14  -3.129  -3.510  -3.100
   88    HG3  GLN  14           HG2      GLN  14  -2.118  -2.596  -4.209
   89   HE21  GLN  14          HE21      GLN  14   0.550  -3.464  -3.173
   90   HE22  GLN  14          HE22      GLN  14   0.563  -5.154  -3.704
   91    H    TYR  15           H        TYR  15   0.572  -2.175  -0.910
   92    HA   TYR  15           HA       TYR  15   1.413  -3.523   1.608
   93    HB2  TYR  15           HB3      TYR  15   2.108  -4.164  -1.254
   94    HB3  TYR  15           HB2      TYR  15   3.120  -4.696   0.077
   95    HD1  TYR  15           HD2      TYR  15   1.019  -5.584   2.073
   96    HD2  TYR  15           HD1      TYR  15   1.475  -6.226  -2.150
   97    HE1  TYR  15           HE2      TYR  15  -0.237  -7.713   2.268
   98    HE2  TYR  15           HE1      TYR  15   0.168  -8.347  -1.970
   99    HH   TYR  15           HH       TYR  15  -1.017  -9.529   1.171
  100    H    TRP  16           H        TRP  16   2.317  -1.888   2.628
  101    HA   TRP  16           HA       TRP  16   3.708  -0.249   3.282
  102    HB2  TRP  16           HB3      TRP  16   4.788  -2.408   3.410
  103    HB3  TRP  16           HB2      TRP  16   5.617  -2.100   1.902
  104    HD1  TRP  16           HD1      TRP  16   7.759  -0.585   2.031
  105    HE1  TRP  16           HE1      TRP  16   9.324  -0.045   3.994
  106    HE3  TRP  16           HE3      TRP  16   4.647  -1.725   5.915
  107    HZ2  TRP  16           HZ2      TRP  16   9.115   0.223   6.874
  108    HZ3  TRP  16           HZ3      TRP  16   5.345  -1.319   8.265
  109    HH2  TRP  16           HH2      TRP  16   7.557  -0.312   8.758
  110    H    ASP  17           H        ASP  17   2.743   1.415   1.973
  111    HA   ASP  17           HA       ASP  17   3.993   2.786  -0.188
  112    HB2  ASP  17           HB3      ASP  17   2.176   3.514   2.114
  113    HB3  ASP  17           HB2      ASP  17   2.890   4.825   1.216
  114    H    GLN  18           H        GLN  18   5.845   1.992   2.293
  115    HA   GLN  18           HA       GLN  18   6.693   4.615   3.292
  116    HB2  GLN  18           HB3      GLN  18   6.671   2.109   4.383
  117    HB3  GLN  18           HB2      GLN  18   8.334   2.189   3.820
  118    HG2  GLN  18           HG3      GLN  18   7.566   4.613   5.316
  119    HG3  GLN  18           HG2      GLN  18   7.265   3.145   6.234
  120   HE21  GLN  18          HE21      GLN  18   8.974   2.330   7.374
  121   HE22  GLN  18          HE22      GLN  18  10.654   2.734   7.043
  122    H    HIS  19           H        HIS  19   8.557   5.639   2.835
  123    HA   HIS  19           HA       HIS  19   9.646   5.511   0.253
  124    HB2  HIS  19           HB3      HIS  19  10.950   7.405   0.856
  125    HB3  HIS  19           HB2      HIS  19   9.407   7.546   1.675
  126    HD1  HIS  19           HD1      HIS  19  10.837   5.306   4.032
  127    HD2  HIS  19           HD2      HIS  19  11.888   9.187   2.697
  128    HE1  HIS  19           HE1      HIS  19  12.298   6.295   5.847
  129    HE2  HIS  19           HE2      HIS  19  12.948   8.687   5.064
  130    H    ALA  20           H        ALA  20  10.371   2.906   1.370
  131    HA   ALA  20           HA       ALA  20  13.330   2.994   1.116
  132    HB1  ALA  20           HB1      ALA  20  11.790   1.493   3.278
  133    HB2  ALA  20           HB2      ALA  20  13.539   1.429   3.021
  134    HB3  ALA  20           HB3      ALA  20  12.781   2.944   3.543
  135    HA   PRO  21           HA       PRO  21  12.462  -0.320  -1.685
  136    HB2  PRO  21           HB3      PRO  21  14.797  -1.751  -1.745
  137    HB3  PRO  21           HB2      PRO  21  14.653  -0.095  -2.411
  138    HG2  PRO  21           HG3      PRO  21  15.697  -0.920   0.319
  139    HG3  PRO  21           HG2      PRO  21  16.456   0.195  -0.862
  140    HD2  PRO  21           HD3      PRO  21  14.968   1.111   1.222
  141    HD3  PRO  21           HD2      PRO  21  14.906   1.911  -0.376
  142    H    LEU  22           H        LEU  22  13.550  -1.145   1.541
  143    HA   LEU  22           HA       LEU  22  11.551  -3.148   1.844
  144    HB2  LEU  22           HB3      LEU  22  12.958  -4.999   2.556
  145    HB3  LEU  22           HB2      LEU  22  13.276  -4.571   0.896
  146    HG   LEU  22           HG       LEU  22  15.170  -3.029   2.340
  147   HD11  LEU  22          HD11      LEU  22  14.706  -4.362   4.385
  148   HD12  LEU  22          HD12      LEU  22  16.340  -4.663   3.761
  149   HD13  LEU  22          HD13      LEU  22  15.041  -5.846   3.494
  150   HD21  LEU  22          HD21      LEU  22  15.523  -4.175   0.185
  151   HD22  LEU  22          HD22      LEU  22  15.533  -5.742   1.028
  152   HD23  LEU  22          HD23      LEU  22  16.810  -4.548   1.354
  153    H    ALA  23           H        ALA  23  11.761  -4.036   4.195
  154    HA   ALA  23           HA       ALA  23  12.876  -2.153   6.145
  155    HB1  ALA  23           HB1      ALA  23   9.864  -2.498   5.817
  156    HB2  ALA  23           HB2      ALA  23  10.671  -1.612   7.124
  157    HB3  ALA  23           HB3      ALA  23  10.797  -1.019   5.452
  158    H    ASP  24           H        ASP  24  12.200  -5.278   5.270
  159    HA   ASP  24           HA       ASP  24  12.402  -6.539   7.824
  160    HB2  ASP  24           HB3      ASP  24   9.886  -6.184   7.132
  161    HB3  ASP  24           HB2      ASP  24  10.231  -7.285   5.816
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1   0.972   2.065   0.633
    2    HA2  GLY   1           HA3      GLY   1   0.183   1.108  -1.701
    3    HA3  GLY   1           HA2      GLY   1   1.596   2.076  -1.455
    4    HA   PRO   2           HA       PRO   2   2.590  -1.703  -3.861
    5    HB2  PRO   2           HB3      PRO   2   3.864  -0.640  -5.985
    6    HB3  PRO   2           HB2      PRO   2   2.095  -0.516  -5.760
    7    HG2  PRO   2           HG3      PRO   2   4.209   1.553  -5.082
    8    HG3  PRO   2           HG2      PRO   2   2.685   1.794  -5.987
    9    HD2  PRO   2           HD3      PRO   2   2.940   2.321  -3.293
   10    HD3  PRO   2           HD2      PRO   2   1.403   1.753  -4.012
   11    H    THR   3           H        THR   3   3.995  -2.604  -2.287
   12    HA   THR   3           HA       THR   3   6.808  -2.697  -3.127
   13    HB   THR   3           HB       THR   3   5.785  -1.730  -0.472
   14    HG1  THR   3           HG1      THR   3   6.534  -0.404  -2.210
   15   HG21  THR   3          HG21      THR   3   8.680  -2.621  -0.718
   16   HG22  THR   3          HG22      THR   3   7.433  -3.501   0.230
   17   HG23  THR   3          HG23      THR   3   7.900  -1.857   0.638
   18    HA   PRO   4           HA       PRO   4   5.893  -7.000  -1.893
   19    HB2  PRO   4           HB3      PRO   4   8.328  -8.019  -1.053
   20    HB3  PRO   4           HB2      PRO   4   7.916  -7.648  -2.746
   21    HG2  PRO   4           HG3      PRO   4   9.358  -5.845  -0.763
   22    HG3  PRO   4           HG2      PRO   4   9.908  -6.349  -2.400
   23    HD2  PRO   4           HD3      PRO   4   8.664  -4.016  -2.175
   24    HD3  PRO   4           HD2      PRO   4   8.148  -5.122  -3.451
   25    H    MET   5           H        MET   5   5.726  -4.878   0.535
   26    HA   MET   5           HA       MET   5   6.291  -6.839   2.728
   27    HB2  MET   5           HB3      MET   5   7.962  -4.878   2.335
   28    HB3  MET   5           HB2      MET   5   6.727  -3.864   3.061
   29    HG2  MET   5           HG3      MET   5   8.443  -4.592   4.667
   30    HG3  MET   5           HG2      MET   5   6.848  -5.172   5.131
   31    HE1  MET   5           HE1      MET   5  10.505  -6.116   4.039
   32    HE2  MET   5           HE2      MET   5  10.360  -7.817   3.583
   33    HE3  MET   5           HE3      MET   5   9.648  -6.570   2.547
   34    H    VAL   6           H        VAL   6   5.140  -5.714   4.971
   35    HA   VAL   6           HA       VAL   6   2.339  -5.122   4.086
   36    HB   VAL   6           HB       VAL   6   2.619  -7.524   4.464
   37   HG11  VAL   6          HG11      VAL   6   2.968  -6.824   7.410
   38   HG12  VAL   6          HG12      VAL   6   2.757  -8.442   6.711
   39   HG13  VAL   6          HG13      VAL   6   4.214  -7.511   6.348
   40   HG21  VAL   6          HG21      VAL   6   0.444  -6.369   4.643
   41   HG22  VAL   6          HG22      VAL   6   0.548  -7.788   5.689
   42   HG23  VAL   6          HG23      VAL   6   0.696  -6.168   6.395
   43    H    GLY   7           H        GLY   7   1.202  -3.754   5.108
   44    HA2  GLY   7           HA3      GLY   7   0.550  -2.542   7.201
   45    HA3  GLY   7           HA2      GLY   7   2.274  -2.410   7.563
   46    H    LEU   8           H        LEU   8   1.657  -0.156   7.707
   47    HA   LEU   8           HA       LEU   8   1.819   1.980   7.126
   48    HB2  LEU   8           HB3      LEU   8   3.864   0.762   5.903
   49    HB3  LEU   8           HB2      LEU   8   3.072   1.371   4.478
   50    HG   LEU   8           HG       LEU   8   4.729   2.937   5.051
   51   HD11  LEU   8          HD11      LEU   8   2.575   4.069   4.518
   52   HD12  LEU   8          HD12      LEU   8   3.635   5.023   5.566
   53   HD13  LEU   8          HD13      LEU   8   2.232   4.190   6.258
   54   HD21  LEU   8          HD21      LEU   8   3.702   2.907   7.914
   55   HD22  LEU   8          HD22      LEU   8   5.016   3.919   7.292
   56   HD23  LEU   8          HD23      LEU   8   5.187   2.150   7.316
   57    H    ASP   9           H        ASP   9   0.898   0.479   4.001
   58    HA   ASP   9           HA       ASP   9   0.356   2.642   2.555
   59    HB2  ASP   9           HB2      ASP   9  -1.372   0.172   2.587
   60    HB3  ASP   9           HB3      ASP   9  -1.650   1.480   1.466
   61    H    SER  10           H        SER  10  -2.335   1.355   4.456
   62    HA   SER  10           HA       SER  10  -4.280   2.208   5.265
   63    HB2  SER  10           HB3      SER  10  -2.769   4.842   5.409
   64    HB3  SER  10           HB2      SER  10  -4.220   4.374   6.319
   65    HG   SER  10           HG       SER  10  -1.619   3.250   6.458
   66    H    VAL  11           H        VAL  11  -3.125   3.831   2.467
   67    HA   VAL  11           HA       VAL  11  -5.869   4.703   1.647
   68    HB   VAL  11           HB       VAL  11  -3.287   6.214   1.060
   69   HG11  VAL  11          HG11      VAL  11  -4.822   7.998   0.376
   70   HG12  VAL  11          HG12      VAL  11  -5.199   6.525  -0.523
   71   HG13  VAL  11          HG13      VAL  11  -6.223   7.008   0.843
   72   HG21  VAL  11          HG21      VAL  11  -3.628   6.399   3.463
   73   HG22  VAL  11          HG22      VAL  11  -4.084   7.916   2.691
   74   HG23  VAL  11          HG23      VAL  11  -5.351   6.779   3.227
   75    H    SER  12           H        SER  12  -2.520   4.276   0.297
   76    HA   SER  12           HA       SER  12  -3.593   3.261  -2.229
   77    HB2  SER  12           HB3      SER  12  -1.502   4.636  -2.093
   78    HB3  SER  12           HB2      SER  12  -0.715   3.272  -1.271
   79    HG   SER  12           HG       SER  12  -1.382   1.989  -3.063
   80    H    GLY  13           H        GLY  13  -4.409   1.754   0.064
   81    HA2  GLY  13           HA3      GLY  13  -3.259  -0.347   1.224
   82    HA3  GLY  13           HA2      GLY  13  -4.886  -0.451   0.566
   83    H    GLN  14           H        GLN  14  -1.536  -1.439   0.141
   84    HA   GLN  14           HA       GLN  14  -2.458  -3.670  -1.512
   85    HB2  GLN  14           HB3      GLN  14  -1.815  -1.614  -2.947
   86    HB3  GLN  14           HB2      GLN  14  -0.159  -1.953  -2.534
   87    HG2  GLN  14           HG3      GLN  14  -2.080  -3.912  -3.891
   88    HG3  GLN  14           HG2      GLN  14  -1.042  -2.792  -4.753
   89   HE21  GLN  14          HE21      GLN  14   1.393  -3.117  -3.101
   90   HE22  GLN  14          HE22      GLN  14   1.917  -4.747  -3.515
   91    H    TYR  15           H        TYR  15   0.895  -2.541  -0.895
   92    HA   TYR  15           HA       TYR  15   1.389  -4.337   1.292
   93    HB2  TYR  15           HB3      TYR  15   2.308  -5.120  -1.477
   94    HB3  TYR  15           HB2      TYR  15   3.181  -5.660  -0.086
   95    HD1  TYR  15           HD2      TYR  15   1.527  -6.667   1.891
   96    HD2  TYR  15           HD1      TYR  15   0.859  -6.711  -2.361
   97    HE1  TYR  15           HE2      TYR  15  -0.008  -8.624   2.146
   98    HE2  TYR  15           HE1      TYR  15  -0.694  -8.615  -2.110
   99    HH   TYR  15           HH       TYR  15  -1.680 -10.017  -0.672
  100    H    TRP  16           H        TRP  16   1.701  -1.719   1.309
  101    HA   TRP  16           HA       TRP  16   3.087  -0.582   2.781
  102    HB2  TRP  16           HB3      TRP  16   4.565  -2.528   2.971
  103    HB3  TRP  16           HB2      TRP  16   5.466  -1.999   1.572
  104    HD1  TRP  16           HD1      TRP  16   7.181  -0.099   1.758
  105    HE1  TRP  16           HE1      TRP  16   8.740   0.352   3.736
  106    HE3  TRP  16           HE3      TRP  16   4.355  -2.099   5.499
  107    HZ2  TRP  16           HZ2      TRP  16   8.647   0.112   6.646
  108    HZ3  TRP  16           HZ3      TRP  16   5.120  -2.027   7.865
  109    HH2  TRP  16           HH2      TRP  16   7.262  -0.902   8.447
  110    H    ASP  17           H        ASP  17   3.472   1.526   2.594
  111    HA   ASP  17           HA       ASP  17   3.868   2.726  -0.111
  112    HB2  ASP  17           HB3      ASP  17   2.279   3.314   2.279
  113    HB3  ASP  17           HB2      ASP  17   3.159   4.726   1.805
  114    H    GLN  18           H        GLN  18   5.960   2.111   2.394
  115    HA   GLN  18           HA       GLN  18   6.696   4.810   3.055
  116    HB2  GLN  18           HB3      GLN  18   6.956   2.471   4.349
  117    HB3  GLN  18           HB2      GLN  18   8.586   2.569   3.657
  118    HG2  GLN  18           HG3      GLN  18   8.227   5.105   4.762
  119    HG3  GLN  18           HG2      GLN  18   7.297   4.087   5.861
  120   HE21  GLN  18          HE21      GLN  18   8.569   2.140   6.873
  121   HE22  GLN  18          HE22      GLN  18  10.320   2.345   6.939
  122    H    HIS  19           H        HIS  19   8.709   5.860   2.849
  123    HA   HIS  19           HA       HIS  19   9.799   6.028   0.269
  124    HB2  HIS  19           HB3      HIS  19  11.123   7.790   1.093
  125    HB3  HIS  19           HB2      HIS  19   9.627   7.853   2.000
  126    HD1  HIS  19           HD1      HIS  19  10.937   5.355   4.111
  127    HD2  HIS  19           HD2      HIS  19  12.454   9.140   2.955
  128    HE1  HIS  19           HE1      HIS  19  12.608   5.974   5.850
  129    HE2  HIS  19           HE2      HIS  19  13.567   8.299   5.196
  130    H    ALA  20           H        ALA  20  10.388   3.283   1.196
  131    HA   ALA  20           HA       ALA  20  13.236   3.150   0.559
  132    HB1  ALA  20           HB1      ALA  20  13.219   3.229   3.054
  133    HB2  ALA  20           HB2      ALA  20  12.098   1.844   3.084
  134    HB3  ALA  20           HB3      ALA  20  13.743   1.644   2.461
  135    HA   PRO  21           HA       PRO  21  11.528   0.024  -1.974
  136    HB2  PRO  21           HB3      PRO  21  13.623  -1.651  -2.545
  137    HB3  PRO  21           HB2      PRO  21  13.566   0.058  -3.075
  138    HG2  PRO  21           HG3      PRO  21  14.946  -1.072  -0.612
  139    HG3  PRO  21           HG2      PRO  21  15.640  -0.002  -1.874
  140    HD2  PRO  21           HD3      PRO  21  14.679   1.008   0.448
  141    HD3  PRO  21           HD2      PRO  21  14.404   1.866  -1.102
  142    H    LEU  22           H        LEU  22  12.422  -0.880   1.127
  143    HA   LEU  22           HA       LEU  22  10.608  -3.021   1.386
  144    HB2  LEU  22           HB3      LEU  22  12.256  -4.751   2.181
  145    HB3  LEU  22           HB2      LEU  22  12.240  -4.457   0.464
  146    HG   LEU  22           HG       LEU  22  14.330  -3.114   0.645
  147   HD11  LEU  22          HD11      LEU  22  14.340  -4.056   3.541
  148   HD12  LEU  22          HD12      LEU  22  14.286  -2.355   2.989
  149   HD13  LEU  22          HD13      LEU  22  15.719  -3.346   2.698
  150   HD21  LEU  22          HD21      LEU  22  15.804  -5.038   1.025
  151   HD22  LEU  22          HD22      LEU  22  14.362  -5.522   0.106
  152   HD23  LEU  22          HD23      LEU  22  14.487  -5.902   1.836
  153    H    ALA  23           H        ALA  23  11.374  -3.984   3.836
  154    HA   ALA  23           HA       ALA  23  12.450  -1.845   5.505
  155    HB1  ALA  23           HB1      ALA  23  10.119  -1.177   5.384
  156    HB2  ALA  23           HB2      ALA  23   9.587  -2.784   5.937
  157    HB3  ALA  23           HB3      ALA  23  10.512  -1.728   7.028
  158    H    ASP  24           H        ASP  24  12.162  -5.086   4.817
  159    HA   ASP  24           HA       ASP  24  13.795  -5.961   6.978
  160    HB2  ASP  24           HB3      ASP  24  11.269  -6.568   7.430
  161    HB3  ASP  24           HB2      ASP  24  11.424  -7.631   6.046
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   0.935   2.248   0.590
    2    HA2  GLY   1           HA3      GLY   1   0.297   1.440  -1.727
    3    HA3  GLY   1           HA2      GLY   1   1.861   2.177  -1.426
    4    HA   PRO   2           HA       PRO   2   2.016  -1.690  -3.890
    5    HB2  PRO   2           HB3      PRO   2   2.830  -0.804  -6.308
    6    HB3  PRO   2           HB2      PRO   2   1.195  -0.471  -5.677
    7    HG2  PRO   2           HG3      PRO   2   3.636   1.329  -5.538
    8    HG3  PRO   2           HG2      PRO   2   2.005   1.745  -6.147
    9    HD2  PRO   2           HD3      PRO   2   2.795   2.296  -3.577
   10    HD3  PRO   2           HD2      PRO   2   1.116   1.837  -3.968
   11    H    THR   3           H        THR   3   3.762  -2.315  -2.281
   12    HA   THR   3           HA       THR   3   6.169  -2.918  -3.871
   13    HB   THR   3           HB       THR   3   6.207  -0.892  -2.022
   14    HG1  THR   3           HG1      THR   3   8.345  -0.969  -2.371
   15   HG21  THR   3          HG21      THR   3   7.532  -1.354  -0.189
   16   HG22  THR   3          HG22      THR   3   7.851  -3.015  -0.649
   17   HG23  THR   3          HG23      THR   3   6.241  -2.558  -0.084
   18    HA   PRO   4           HA       PRO   4   5.432  -6.841  -1.817
   19    HB2  PRO   4           HB3      PRO   4   7.804  -8.105  -1.406
   20    HB3  PRO   4           HB2      PRO   4   7.180  -7.655  -3.014
   21    HG2  PRO   4           HG3      PRO   4   9.174  -6.143  -1.305
   22    HG3  PRO   4           HG2      PRO   4   9.317  -6.598  -3.027
   23    HD2  PRO   4           HD3      PRO   4   8.477  -4.138  -2.278
   24    HD3  PRO   4           HD2      PRO   4   7.785  -4.947  -3.702
   25    H    MET   5           H        MET   5   6.054  -4.615   0.463
   26    HA   MET   5           HA       MET   5   6.499  -6.557   2.723
   27    HB2  MET   5           HB3      MET   5   7.245  -3.706   2.302
   28    HB3  MET   5           HB2      MET   5   6.577  -4.070   3.884
   29    HG2  MET   5           HG3      MET   5   8.938  -4.198   4.005
   30    HG3  MET   5           HG2      MET   5   8.243  -5.776   4.303
   31    HE1  MET   5           HE1      MET   5   9.473  -3.538   1.374
   32    HE2  MET   5           HE2      MET   5  10.388  -4.667   0.339
   33    HE3  MET   5           HE3      MET   5   8.620  -4.741   0.393
   34    H    VAL   6           H        VAL   6   5.123  -6.110   4.778
   35    HA   VAL   6           HA       VAL   6   2.352  -5.376   3.910
   36    HB   VAL   6           HB       VAL   6   2.709  -7.729   4.382
   37   HG11  VAL   6          HG11      VAL   6   3.063  -6.928   7.301
   38   HG12  VAL   6          HG12      VAL   6   2.926  -8.572   6.651
   39   HG13  VAL   6          HG13      VAL   6   4.337  -7.581   6.258
   40   HG21  VAL   6          HG21      VAL   6   0.675  -8.022   5.654
   41   HG22  VAL   6          HG22      VAL   6   0.777  -6.372   6.298
   42   HG23  VAL   6          HG23      VAL   6   0.500  -6.644   4.559
   43    H    GLY   7           H        GLY   7   1.250  -3.824   4.807
   44    HA2  GLY   7           HA3      GLY   7   0.518  -2.695   6.926
   45    HA3  GLY   7           HA2      GLY   7   2.224  -2.562   7.352
   46    H    LEU   8           H        LEU   8   1.892  -0.348   7.530
   47    HA   LEU   8           HA       LEU   8   1.969   1.818   7.083
   48    HB2  LEU   8           HB3      LEU   8   3.995   0.647   5.785
   49    HB3  LEU   8           HB2      LEU   8   3.230   1.392   4.405
   50    HG   LEU   8           HG       LEU   8   4.951   2.815   5.143
   51   HD11  LEU   8          HD11      LEU   8   2.507   4.136   6.365
   52   HD12  LEU   8          HD12      LEU   8   2.822   4.044   4.619
   53   HD13  LEU   8          HD13      LEU   8   3.942   4.911   5.672
   54   HD21  LEU   8          HD21      LEU   8   5.227   3.670   7.409
   55   HD22  LEU   8          HD22      LEU   8   5.254   1.890   7.403
   56   HD23  LEU   8          HD23      LEU   8   3.812   2.769   7.966
   57    H    ASP   9           H        ASP   9   0.974   0.479   3.917
   58    HA   ASP   9           HA       ASP   9   0.413   2.742   2.542
   59    HB2  ASP   9           HB2      ASP   9  -1.285   0.236   2.502
   60    HB3  ASP   9           HB3      ASP   9  -1.530   1.584   1.406
   61    H    SER  10           H        SER  10  -2.180   1.319   4.486
   62    HA   SER  10           HA       SER  10  -4.107   2.129   5.394
   63    HB2  SER  10           HB3      SER  10  -2.699   4.806   5.517
   64    HB3  SER  10           HB2      SER  10  -4.042   4.227   6.518
   65    HG   SER  10           HG       SER  10  -1.371   3.256   6.419
   66    H    VAL  11           H        VAL  11  -3.126   3.731   2.571
   67    HA   VAL  11           HA       VAL  11  -5.871   4.655   1.852
   68    HB   VAL  11           HB       VAL  11  -3.263   6.108   1.218
   69   HG11  VAL  11          HG11      VAL  11  -6.177   6.987   1.068
   70   HG12  VAL  11          HG12      VAL  11  -4.753   7.950   0.595
   71   HG13  VAL  11          HG13      VAL  11  -5.181   6.500  -0.324
   72   HG21  VAL  11          HG21      VAL  11  -3.979   7.812   2.899
   73   HG22  VAL  11          HG22      VAL  11  -5.240   6.684   3.462
   74   HG23  VAL  11          HG23      VAL  11  -3.514   6.275   3.619
   75    H    SER  12           H        SER  12  -2.580   4.157   0.426
   76    HA   SER  12           HA       SER  12  -3.638   3.390  -2.167
   77    HB2  SER  12           HB3      SER  12  -1.468   4.541  -1.869
   78    HB3  SER  12           HB2      SER  12  -0.832   3.101  -1.061
   79    HG   SER  12           HG       SER  12  -1.634   1.990  -3.056
   80    H    GLY  13           H        GLY  13  -4.192   1.742   0.362
   81    HA2  GLY  13           HA3      GLY  13  -3.792  -0.572   1.145
   82    HA3  GLY  13           HA2      GLY  13  -5.231  -0.434   0.149
   83    H    GLN  14           H        GLN  14  -1.749  -1.287  -0.064
   84    HA   GLN  14           HA       GLN  14  -2.480  -3.641  -1.664
   85    HB2  GLN  14           HB3      GLN  14  -1.761  -1.492  -3.020
   86    HB3  GLN  14           HB2      GLN  14  -0.138  -1.915  -2.564
   87    HG2  GLN  14           HG3      GLN  14  -2.128  -3.716  -4.028
   88    HG3  GLN  14           HG2      GLN  14  -0.942  -2.686  -4.812
   89   HE21  GLN  14          HE21      GLN  14   1.434  -3.251  -3.219
   90   HE22  GLN  14          HE22      GLN  14   1.766  -4.926  -3.571
   91    H    TYR  15           H        TYR  15   0.758  -2.345  -0.883
   92    HA   TYR  15           HA       TYR  15   1.313  -4.093   1.320
   93    HB2  TYR  15           HB3      TYR  15   2.222  -4.909  -1.430
   94    HB3  TYR  15           HB2      TYR  15   3.154  -5.362  -0.045
   95    HD1  TYR  15           HD2      TYR  15   1.685  -6.470   1.938
   96    HD2  TYR  15           HD1      TYR  15   0.775  -6.526  -2.256
   97    HE1  TYR  15           HE2      TYR  15   0.257  -8.513   2.265
   98    HE2  TYR  15           HE1      TYR  15  -0.639  -8.524  -1.952
   99    HH   TYR  15           HH       TYR  15  -1.497  -9.974  -0.464
  100    H    TRP  16           H        TRP  16   1.756  -1.868   1.916
  101    HA   TRP  16           HA       TRP  16   3.259  -0.573   3.014
  102    HB2  TRP  16           HB3      TRP  16   4.312  -2.659   3.345
  103    HB3  TRP  16           HB2      TRP  16   5.257  -2.491   1.882
  104    HD1  TRP  16           HD1      TRP  16   7.337  -0.880   1.945
  105    HE1  TRP  16           HE1      TRP  16   8.909  -0.337   3.911
  106    HE3  TRP  16           HE3      TRP  16   4.293  -2.129   5.830
  107    HZ2  TRP  16           HZ2      TRP  16   8.680  -0.012   6.791
  108    HZ3  TRP  16           HZ3      TRP  16   4.987  -1.718   8.184
  109    HH2  TRP  16           HH2      TRP  16   7.166  -0.635   8.668
  110    H    ASP  17           H        ASP  17   2.919   1.372   2.238
  111    HA   ASP  17           HA       ASP  17   4.040   2.690  -0.005
  112    HB2  ASP  17           HB3      ASP  17   2.366   3.293   2.341
  113    HB3  ASP  17           HB2      ASP  17   3.342   4.655   1.950
  114    H    GLN  18           H        GLN  18   6.107   1.734   2.376
  115    HA   GLN  18           HA       GLN  18   7.055   4.305   3.301
  116    HB2  GLN  18           HB3      GLN  18   7.335   2.091   4.509
  117    HB3  GLN  18           HB2      GLN  18   8.653   1.736   3.366
  118    HG2  GLN  18           HG3      GLN  18   9.439   2.575   5.578
  119    HG3  GLN  18           HG2      GLN  18   9.985   3.548   4.211
  120   HE21  GLN  18          HE21      GLN  18   7.367   3.436   6.739
  121   HE22  GLN  18          HE22      GLN  18   7.208   5.190   6.761
  122    H    HIS  19           H        HIS  19   8.712   5.565   2.729
  123    HA   HIS  19           HA       HIS  19   9.779   5.526   0.064
  124    HB2  HIS  19           HB3      HIS  19  10.821   7.567   0.561
  125    HB3  HIS  19           HB2      HIS  19   9.308   7.585   1.441
  126    HD1  HIS  19           HD1      HIS  19   9.726   6.900   4.263
  127    HD2  HIS  19           HD2      HIS  19  13.006   8.015   1.851
  128    HE1  HIS  19           HE1      HIS  19  11.599   7.558   5.872
  129    HE2  HIS  19           HE2      HIS  19  13.627   8.233   4.396
  130    H    ALA  20           H        ALA  20  10.576   3.075   1.291
  131    HA   ALA  20           HA       ALA  20  13.514   3.183   1.080
  132    HB1  ALA  20           HB1      ALA  20  12.924   3.237   3.536
  133    HB2  ALA  20           HB2      ALA  20  12.045   1.705   3.315
  134    HB3  ALA  20           HB3      ALA  20  13.800   1.770   3.063
  135    HA   PRO  21           HA       PRO  21  12.596  -0.166  -1.648
  136    HB2  PRO  21           HB3      PRO  21  14.870  -1.701  -1.668
  137    HB3  PRO  21           HB2      PRO  21  14.801  -0.047  -2.346
  138    HG2  PRO  21           HG3      PRO  21  15.766  -0.899   0.403
  139    HG3  PRO  21           HG2      PRO  21  16.588   0.175  -0.773
  140    HD2  PRO  21           HD3      PRO  21  15.118   1.177   1.282
  141    HD3  PRO  21           HD2      PRO  21  15.095   1.959  -0.329
  142    H    LEU  22           H        LEU  22  13.480  -1.041   1.618
  143    HA   LEU  22           HA       LEU  22  11.454  -3.024   1.782
  144    HB2  LEU  22           HB3      LEU  22  12.842  -4.911   2.537
  145    HB3  LEU  22           HB2      LEU  22  13.137  -4.481   0.879
  146    HG   LEU  22           HG       LEU  22  15.092  -2.975   2.229
  147   HD11  LEU  22          HD11      LEU  22  14.619  -4.169   4.350
  148   HD12  LEU  22          HD12      LEU  22  16.232  -4.564   3.722
  149   HD13  LEU  22          HD13      LEU  22  14.890  -5.714   3.540
  150   HD21  LEU  22          HD21      LEU  22  15.359  -4.257   0.136
  151   HD22  LEU  22          HD22      LEU  22  15.362  -5.766   1.076
  152   HD23  LEU  22          HD23      LEU  22  16.669  -4.581   1.293
  153    H    ALA  23           H        ALA  23  11.607  -4.018   4.129
  154    HA   ALA  23           HA       ALA  23  12.688  -2.182   6.144
  155    HB1  ALA  23           HB1      ALA  23  10.490  -1.691   7.127
  156    HB2  ALA  23           HB2      ALA  23  10.577  -1.084   5.460
  157    HB3  ALA  23           HB3      ALA  23   9.684  -2.585   5.825
  158    H    ASP  24           H        ASP  24  12.073  -5.316   5.184
  159    HA   ASP  24           HA       ASP  24  12.248  -6.607   7.747
  160    HB2  ASP  24           HB3      ASP  24   9.739  -6.304   6.424
  161    HB3  ASP  24           HB2      ASP  24  10.327  -7.847   5.863
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1   1.239   1.916   0.798
    2    HA2  GLY   1           HA3      GLY   1   0.473   1.381  -1.667
    3    HA3  GLY   1           HA2      GLY   1   2.059   1.956  -1.246
    4    HA   PRO   2           HA       PRO   2   2.198  -1.890  -3.789
    5    HB2  PRO   2           HB3      PRO   2   3.066  -0.980  -6.169
    6    HB3  PRO   2           HB2      PRO   2   1.401  -0.652  -5.585
    7    HG2  PRO   2           HG3      PRO   2   3.828   1.184  -5.377
    8    HG3  PRO   2           HG2      PRO   2   2.210   1.581  -6.042
    9    HD2  PRO   2           HD3      PRO   2   2.924   2.119  -3.451
   10    HD3  PRO   2           HD2      PRO   2   1.249   1.660  -3.898
   11    H    THR   3           H        THR   3   3.906  -2.550  -2.195
   12    HA   THR   3           HA       THR   3   6.355  -3.041  -3.737
   13    HB   THR   3           HB       THR   3   6.326  -1.067  -1.744
   14    HG1  THR   3           HG1      THR   3   8.364  -0.868  -2.365
   15   HG21  THR   3          HG21      THR   3   8.285  -3.142  -0.783
   16   HG22  THR   3          HG22      THR   3   6.705  -2.922  -0.010
   17   HG23  THR   3          HG23      THR   3   7.870  -1.578  -0.102
   18    HA   PRO   4           HA       PRO   4   5.901  -7.080  -1.897
   19    HB2  PRO   4           HB3      PRO   4   8.459  -7.985  -1.229
   20    HB3  PRO   4           HB2      PRO   4   7.766  -7.862  -2.864
   21    HG2  PRO   4           HG3      PRO   4   9.558  -5.889  -1.436
   22    HG3  PRO   4           HG2      PRO   4   9.690  -6.506  -3.109
   23    HD2  PRO   4           HD3      PRO   4   8.579  -4.115  -2.636
   24    HD3  PRO   4           HD2      PRO   4   7.862  -5.208  -3.838
   25    H    MET   5           H        MET   5   5.860  -4.908   0.432
   26    HA   MET   5           HA       MET   5   6.621  -6.719   2.718
   27    HB2  MET   5           HB3      MET   5   7.197  -3.860   2.229
   28    HB3  MET   5           HB2      MET   5   6.465  -4.135   3.785
   29    HG2  MET   5           HG3      MET   5   8.803  -4.204   4.067
   30    HG3  MET   5           HG2      MET   5   8.143  -5.799   4.380
   31    HE1  MET   5           HE1      MET   5   9.483  -3.670   1.382
   32    HE2  MET   5           HE2      MET   5  10.456  -4.853   0.462
   33    HE3  MET   5           HE3      MET   5   8.689  -4.946   0.447
   34    H    VAL   6           H        VAL   6   5.186  -5.476   4.854
   35    HA   VAL   6           HA       VAL   6   2.457  -5.058   3.805
   36    HB   VAL   6           HB       VAL   6   2.590  -7.468   4.320
   37   HG11  VAL   6          HG11      VAL   6   2.607  -8.277   6.614
   38   HG12  VAL   6          HG12      VAL   6   4.115  -7.421   6.274
   39   HG13  VAL   6          HG13      VAL   6   2.855  -6.637   7.241
   40   HG21  VAL   6          HG21      VAL   6   0.494  -7.630   5.452
   41   HG22  VAL   6          HG22      VAL   6   0.671  -6.024   6.177
   42   HG23  VAL   6          HG23      VAL   6   0.446  -6.196   4.416
   43    H    GLY   7           H        GLY   7   1.187  -3.689   4.899
   44    HA2  GLY   7           HA3      GLY   7   0.608  -2.399   6.909
   45    HA3  GLY   7           HA2      GLY   7   2.333  -2.308   7.303
   46    H    LEU   8           H        LEU   8   2.059  -0.066   7.384
   47    HA   LEU   8           HA       LEU   8   1.997   2.070   6.875
   48    HB2  LEU   8           HB3      LEU   8   4.119   0.877   5.555
   49    HB3  LEU   8           HB2      LEU   8   3.442   1.895   4.315
   50    HG   LEU   8           HG       LEU   8   5.267   2.958   5.489
   51   HD11  LEU   8          HD11      LEU   8   2.684   4.385   6.170
   52   HD12  LEU   8          HD12      LEU   8   3.552   4.456   4.625
   53   HD13  LEU   8          HD13      LEU   8   4.299   5.106   6.092
   54   HD21  LEU   8          HD21      LEU   8   3.634   2.758   8.038
   55   HD22  LEU   8          HD22      LEU   8   5.116   3.677   7.842
   56   HD23  LEU   8          HD23      LEU   8   5.145   1.920   7.669
   57    H    ASP   9           H        ASP   9   0.970   0.530   3.832
   58    HA   ASP   9           HA       ASP   9   0.263   2.733   2.331
   59    HB2  ASP   9           HB2      ASP   9  -1.226   0.113   2.606
   60    HB3  ASP   9           HB3      ASP   9  -1.731   1.357   1.485
   61    H    SER  10           H        SER  10  -2.223   1.190   4.339
   62    HA   SER  10           HA       SER  10  -4.184   1.864   5.234
   63    HB2  SER  10           HB3      SER  10  -2.047   3.391   6.288
   64    HB3  SER  10           HB2      SER  10  -3.410   4.501   6.138
   65    HG   SER  10           HG       SER  10  -3.767   3.514   8.021
   66    H    VAL  11           H        VAL  11  -3.297   3.587   2.652
   67    HA   VAL  11           HA       VAL  11  -5.863   5.053   2.176
   68    HB   VAL  11           HB       VAL  11  -2.980   5.920   1.624
   69   HG11  VAL  11          HG11      VAL  11  -3.974   8.082   0.931
   70   HG12  VAL  11          HG12      VAL  11  -4.455   6.758  -0.130
   71   HG13  VAL  11          HG13      VAL  11  -5.600   7.372   1.086
   72   HG21  VAL  11          HG21      VAL  11  -3.436   6.209   3.988
   73   HG22  VAL  11          HG22      VAL  11  -3.442   7.783   3.201
   74   HG23  VAL  11          HG23      VAL  11  -4.983   7.010   3.636
   75    H    SER  12           H        SER  12  -2.837   3.889   0.677
   76    HA   SER  12           HA       SER  12  -3.924   3.731  -1.998
   77    HB2  SER  12           HB3      SER  12  -1.598   4.315  -1.386
   78    HB3  SER  12           HB2      SER  12  -1.325   2.649  -0.852
   79    HG   SER  12           HG       SER  12  -0.696   3.256  -3.052
   80    H    GLY  13           H        GLY  13  -3.132   1.298   0.435
   81    HA2  GLY  13           HA3      GLY  13  -4.083  -0.750   0.894
   82    HA3  GLY  13           HA2      GLY  13  -5.242  -0.461  -0.403
   83    H    GLN  14           H        GLN  14  -1.729  -1.403  -0.009
   84    HA   GLN  14           HA       GLN  14  -2.268  -3.676  -1.751
   85    HB2  GLN  14           HB3      GLN  14  -1.343  -1.414  -2.953
   86    HB3  GLN  14           HB2      GLN  14   0.182  -2.140  -2.570
   87    HG2  GLN  14           HG3      GLN  14  -2.091  -3.541  -4.051
   88    HG3  GLN  14           HG2      GLN  14  -0.832  -2.623  -4.851
   89   HE21  GLN  14          HE21      GLN  14   1.424  -3.751  -3.029
   90   HE22  GLN  14          HE22      GLN  14   1.539  -5.348  -3.752
   91    H    TYR  15           H        TYR  15   0.961  -2.481  -0.789
   92    HA   TYR  15           HA       TYR  15   1.311  -4.297   1.395
   93    HB2  TYR  15           HB3      TYR  15   2.141  -5.127  -1.384
   94    HB3  TYR  15           HB2      TYR  15   3.110  -5.652  -0.071
   95    HD1  TYR  15           HD2      TYR  15   1.373  -6.520   2.057
   96    HD2  TYR  15           HD1      TYR  15   0.895  -6.933  -2.206
   97    HE1  TYR  15           HE2      TYR  15   0.050  -8.601   2.402
   98    HE2  TYR  15           HE1      TYR  15  -0.407  -9.007  -1.860
   99    HH   TYR  15           HH       TYR  15  -1.038 -10.563  -0.334
  100    H    TRP  16           H        TRP  16   1.793  -1.691   1.462
  101    HA   TRP  16           HA       TRP  16   3.335  -0.658   2.931
  102    HB2  TRP  16           HB3      TRP  16   4.693  -2.729   2.977
  103    HB3  TRP  16           HB2      TRP  16   5.563  -2.116   1.584
  104    HD1  TRP  16           HD1      TRP  16   7.602  -0.804   1.883
  105    HE1  TRP  16           HE1      TRP  16   9.072  -0.268   3.911
  106    HE3  TRP  16           HE3      TRP  16   4.307  -1.849   5.609
  107    HZ2  TRP  16           HZ2      TRP  16   8.693   0.181   6.753
  108    HZ3  TRP  16           HZ3      TRP  16   4.886  -1.395   7.991
  109    HH2  TRP  16           HH2      TRP  16   7.057  -0.333   8.564
  110    H    ASP  17           H        ASP  17   3.045   1.406   2.349
  111    HA   ASP  17           HA       ASP  17   3.964   2.618  -0.143
  112    HB2  ASP  17           HB3      ASP  17   2.246   3.339   2.155
  113    HB3  ASP  17           HB2      ASP  17   3.191   4.693   1.630
  114    H    GLN  18           H        GLN  18   5.956   1.854   2.345
  115    HA   GLN  18           HA       GLN  18   6.853   4.429   3.246
  116    HB2  GLN  18           HB3      GLN  18   7.175   2.199   4.415
  117    HB3  GLN  18           HB2      GLN  18   8.465   1.871   3.237
  118    HG2  GLN  18           HG3      GLN  18   9.287   2.637   5.470
  119    HG3  GLN  18           HG2      GLN  18   9.852   3.595   4.106
  120   HE21  GLN  18          HE21      GLN  18   7.313   3.609   6.703
  121   HE22  GLN  18          HE22      GLN  18   7.232   5.368   6.712
  122    H    HIS  19           H        HIS  19   8.605   5.641   2.805
  123    HA   HIS  19           HA       HIS  19   9.674   5.729   0.136
  124    HB2  HIS  19           HB3      HIS  19  10.569   7.767   0.695
  125    HB3  HIS  19           HB2      HIS  19   9.181   7.670   1.757
  126    HD1  HIS  19           HD1      HIS  19   9.913   6.971   4.454
  127    HD2  HIS  19           HD2      HIS  19  12.912   8.084   1.706
  128    HE1  HIS  19           HE1      HIS  19  12.019   7.528   5.855
  129    HE2  HIS  19           HE2      HIS  19  13.858   8.198   4.154
  130    H    ALA  20           H        ALA  20  10.416   3.205   1.307
  131    HA   ALA  20           HA       ALA  20  13.378   3.270   1.252
  132    HB1  ALA  20           HB1      ALA  20  12.868   3.235   3.626
  133    HB2  ALA  20           HB2      ALA  20  11.624   1.982   3.389
  134    HB3  ALA  20           HB3      ALA  20  13.329   1.585   3.167
  135    HA   PRO  21           HA       PRO  21  12.666   0.040  -1.607
  136    HB2  PRO  21           HB3      PRO  21  14.972  -1.433  -1.570
  137    HB3  PRO  21           HB2      PRO  21  14.915   0.264  -2.137
  138    HG2  PRO  21           HG3      PRO  21  15.700  -0.746   0.622
  139    HG3  PRO  21           HG2      PRO  21  16.593   0.402  -0.428
  140    HD2  PRO  21           HD3      PRO  21  14.957   1.272   1.557
  141    HD3  PRO  21           HD2      PRO  21  15.043   2.138  -0.009
  142    H    LEU  22           H        LEU  22  13.414  -0.969   1.663
  143    HA   LEU  22           HA       LEU  22  11.340  -2.860   1.700
  144    HB2  LEU  22           HB3      LEU  22  12.606  -4.879   2.326
  145    HB3  LEU  22           HB2      LEU  22  12.887  -4.378   0.686
  146    HG   LEU  22           HG       LEU  22  14.973  -3.106   2.102
  147   HD11  LEU  22          HD11      LEU  22  14.613  -5.957   3.105
  148   HD12  LEU  22          HD12      LEU  22  14.489  -4.500   4.092
  149   HD13  LEU  22          HD13      LEU  22  16.045  -4.932   3.363
  150   HD21  LEU  22          HD21      LEU  22  14.981  -5.736   0.576
  151   HD22  LEU  22          HD22      LEU  22  16.411  -4.754   0.959
  152   HD23  LEU  22          HD23      LEU  22  15.155  -4.114  -0.124
  153    H    ALA  23           H        ALA  23  11.378  -3.969   4.014
  154    HA   ALA  23           HA       ALA  23  12.606  -2.306   6.095
  155    HB1  ALA  23           HB1      ALA  23  10.421  -1.659   7.073
  156    HB2  ALA  23           HB2      ALA  23  10.651  -0.957   5.457
  157    HB3  ALA  23           HB3      ALA  23   9.590  -2.381   5.683
  158    H    ASP  24           H        ASP  24  11.729  -5.363   5.083
  159    HA   ASP  24           HA       ASP  24  11.820  -6.623   7.655
  160    HB2  ASP  24           HB3      ASP  24   9.326  -6.189   6.766
  161    HB3  ASP  24           HB2      ASP  24   9.722  -7.475   5.641
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1   1.019  -0.180   0.168
    2    HA2  GLY   1           HA3      GLY   1   0.003   1.121  -2.180
    3    HA3  GLY   1           HA2      GLY   1   1.384   1.984  -1.537
    4    HA   PRO   2           HA       PRO   2   2.256  -1.585  -4.389
    5    HB2  PRO   2           HB3      PRO   2   3.341  -0.417  -6.565
    6    HB3  PRO   2           HB2      PRO   2   1.621  -0.224  -6.134
    7    HG2  PRO   2           HG3      PRO   2   3.900   1.675  -5.470
    8    HG3  PRO   2           HG2      PRO   2   2.359   2.068  -6.290
    9    HD2  PRO   2           HD3      PRO   2   2.684   2.398  -3.597
   10    HD3  PRO   2           HD2      PRO   2   1.128   1.849  -4.278
   11    H    THR   3           H        THR   3   3.840  -2.142  -2.478
   12    HA   THR   3           HA       THR   3   6.312  -2.815  -3.899
   13    HB   THR   3           HB       THR   3   6.445  -0.725  -2.195
   14    HG1  THR   3           HG1      THR   3   8.584  -1.023  -2.332
   15   HG21  THR   3          HG21      THR   3   7.612  -1.180  -0.226
   16   HG22  THR   3          HG22      THR   3   7.682  -2.922  -0.533
   17   HG23  THR   3          HG23      THR   3   6.146  -2.157  -0.131
   18    HA   PRO   4           HA       PRO   4   5.310  -6.673  -1.977
   19    HB2  PRO   4           HB3      PRO   4   7.572  -8.055  -1.349
   20    HB3  PRO   4           HB2      PRO   4   7.102  -7.583  -3.007
   21    HG2  PRO   4           HG3      PRO   4   9.044  -6.188  -1.152
   22    HG3  PRO   4           HG2      PRO   4   9.266  -6.609  -2.876
   23    HD2  PRO   4           HD3      PRO   4   8.505  -4.125  -2.113
   24    HD3  PRO   4           HD2      PRO   4   7.865  -4.869  -3.598
   25    H    MET   5           H        MET   5   6.636  -4.709   0.545
   26    HA   MET   5           HA       MET   5   6.402  -6.809   2.625
   27    HB2  MET   5           HB3      MET   5   7.366  -3.953   2.584
   28    HB3  MET   5           HB2      MET   5   6.843  -4.644   4.113
   29    HG2  MET   5           HG3      MET   5   9.205  -4.918   3.925
   30    HG3  MET   5           HG2      MET   5   8.407  -6.478   3.947
   31    HE1  MET   5           HE1      MET   5   9.599  -3.703   1.664
   32    HE2  MET   5           HE2      MET   5  10.470  -4.520   0.328
   33    HE3  MET   5           HE3      MET   5   8.696  -4.478   0.352
   34    H    VAL   6           H        VAL   6   5.154  -6.220   4.738
   35    HA   VAL   6           HA       VAL   6   2.403  -5.366   3.888
   36    HB   VAL   6           HB       VAL   6   2.662  -7.739   4.363
   37   HG11  VAL   6          HG11      VAL   6   4.317  -7.699   6.208
   38   HG12  VAL   6          HG12      VAL   6   3.117  -6.953   7.274
   39   HG13  VAL   6          HG13      VAL   6   2.854  -8.587   6.638
   40   HG21  VAL   6          HG21      VAL   6   0.844  -6.322   6.351
   41   HG22  VAL   6          HG22      VAL   6   0.499  -6.553   4.620
   42   HG23  VAL   6          HG23      VAL   6   0.652  -7.956   5.696
   43    H    GLY   7           H        GLY   7   1.317  -3.847   4.857
   44    HA2  GLY   7           HA3      GLY   7   0.619  -2.776   7.011
   45    HA3  GLY   7           HA2      GLY   7   2.332  -2.638   7.416
   46    H    LEU   8           H        LEU   8   1.712  -0.409   7.715
   47    HA   LEU   8           HA       LEU   8   1.879   1.781   7.329
   48    HB2  LEU   8           HB3      LEU   8   3.994   0.677   6.223
   49    HB3  LEU   8           HB2      LEU   8   3.315   1.265   4.724
   50    HG   LEU   8           HG       LEU   8   4.960   2.781   5.455
   51   HD11  LEU   8          HD11      LEU   8   2.391   4.170   6.296
   52   HD12  LEU   8          HD12      LEU   8   2.878   3.899   4.609
   53   HD13  LEU   8          HD13      LEU   8   3.878   4.904   5.671
   54   HD21  LEU   8          HD21      LEU   8   5.087   3.846   7.614
   55   HD22  LEU   8          HD22      LEU   8   5.020   2.089   7.842
   56   HD23  LEU   8          HD23      LEU   8   3.584   3.079   8.149
   57    H    ASP   9           H        ASP   9   1.224   0.531   4.117
   58    HA   ASP   9           HA       ASP   9   0.700   2.696   2.689
   59    HB2  ASP   9           HB2      ASP   9   0.784   0.199   2.140
   60    HB3  ASP   9           HB3      ASP   9  -0.944   0.153   2.421
   61    H    SER  10           H        SER  10  -2.016   1.014   4.183
   62    HA   SER  10           HA       SER  10  -4.090   1.605   4.902
   63    HB2  SER  10           HB3      SER  10  -2.768   4.256   5.543
   64    HB3  SER  10           HB2      SER  10  -4.212   3.563   6.305
   65    HG   SER  10           HG       SER  10  -1.524   2.705   6.420
   66    H    VAL  11           H        VAL  11  -3.048   3.484   2.305
   67    HA   VAL  11           HA       VAL  11  -5.746   4.692   1.832
   68    HB   VAL  11           HB       VAL  11  -3.022   5.889   1.185
   69   HG11  VAL  11          HG11      VAL  11  -4.313   7.967   0.864
   70   HG12  VAL  11          HG12      VAL  11  -4.870   6.716  -0.250
   71   HG13  VAL  11          HG13      VAL  11  -5.826   7.091   1.202
   72   HG21  VAL  11          HG21      VAL  11  -4.907   6.475   3.513
   73   HG22  VAL  11          HG22      VAL  11  -3.245   5.851   3.618
   74   HG23  VAL  11          HG23      VAL  11  -3.513   7.488   3.047
   75    H    SER  12           H        SER  12  -2.738   3.656   0.077
   76    HA   SER  12           HA       SER  12  -4.200   3.487  -2.474
   77    HB2  SER  12           HB3      SER  12  -1.816   4.178  -2.352
   78    HB3  SER  12           HB2      SER  12  -1.407   2.564  -1.776
   79    HG   SER  12           HG       SER  12  -2.648   1.883  -3.758
   80    H    GLY  13           H        GLY  13  -4.078   1.520   0.201
   81    HA2  GLY  13           HA3      GLY  13  -5.292  -0.435   0.624
   82    HA3  GLY  13           HA2      GLY  13  -5.722  -0.505  -1.089
   83    H    GLN  14           H        GLN  14  -2.319  -0.424  -0.219
   84    HA   GLN  14           HA       GLN  14  -2.076  -3.267  -1.131
   85    HB2  GLN  14           HB3      GLN  14  -1.792  -0.832  -2.645
   86    HB3  GLN  14           HB2      GLN  14  -0.213  -1.499  -2.464
   87    HG2  GLN  14           HG3      GLN  14  -2.565  -3.094  -3.488
   88    HG3  GLN  14           HG2      GLN  14  -1.471  -2.173  -4.520
   89   HE21  GLN  14          HE21      GLN  14   1.101  -2.873  -3.059
   90   HE22  GLN  14          HE22      GLN  14   1.244  -4.583  -3.463
   91    H    TYR  15           H        TYR  15   0.454  -3.715  -1.369
   92    HA   TYR  15           HA       TYR  15   1.378  -4.026   1.323
   93    HB2  TYR  15           HB3      TYR  15   2.197  -4.935  -1.441
   94    HB3  TYR  15           HB2      TYR  15   3.180  -5.333  -0.060
   95    HD1  TYR  15           HD1      TYR  15   2.116  -6.599   1.884
   96    HD2  TYR  15           HD2      TYR  15   0.272  -6.276  -1.991
   97    HE1  TYR  15           HE1      TYR  15   0.626  -8.501   2.449
   98    HE2  TYR  15           HE2      TYR  15  -1.216  -8.196  -1.438
   99    HH   TYR  15           HH       TYR  15  -1.030  -9.874   1.690
  100    H    TRP  16           H        TRP  16   1.827  -1.899   2.000
  101    HA   TRP  16           HA       TRP  16   3.294  -0.562   3.043
  102    HB2  TRP  16           HB3      TRP  16   4.304  -2.654   3.474
  103    HB3  TRP  16           HB2      TRP  16   5.243  -2.592   1.987
  104    HD1  TRP  16           HD1      TRP  16   7.396  -1.122   1.945
  105    HE1  TRP  16           HE1      TRP  16   9.007  -0.399   3.794
  106    HE3  TRP  16           HE3      TRP  16   4.461  -2.036   6.003
  107    HZ2  TRP  16           HZ2      TRP  16   8.843   0.221   6.626
  108    HZ3  TRP  16           HZ3      TRP  16   5.208  -1.371   8.281
  109    HH2  TRP  16           HH2      TRP  16   7.373  -0.194   8.596
  110    H    ASP  17           H        ASP  17   2.901   1.376   2.046
  111    HA   ASP  17           HA       ASP  17   4.271   2.563  -0.097
  112    HB2  ASP  17           HB3      ASP  17   2.644   3.507   2.249
  113    HB3  ASP  17           HB2      ASP  17   3.538   4.727   1.405
  114    H    GLN  18           H        GLN  18   6.203   1.654   2.449
  115    HA   GLN  18           HA       GLN  18   7.100   4.243   3.321
  116    HB2  GLN  18           HB3      GLN  18   7.438   2.079   4.603
  117    HB3  GLN  18           HB2      GLN  18   8.794   1.736   3.500
  118    HG2  GLN  18           HG3      GLN  18   9.507   2.700   5.691
  119    HG3  GLN  18           HG2      GLN  18  10.029   3.639   4.303
  120   HE21  GLN  18          HE21      GLN  18   7.381   3.534   6.798
  121   HE22  GLN  18          HE22      GLN  18   7.167   5.285   6.734
  122    H    HIS  19           H        HIS  19   8.720   5.537   2.767
  123    HA   HIS  19           HA       HIS  19   9.822   5.520   0.133
  124    HB2  HIS  19           HB3      HIS  19  10.793   7.587   0.621
  125    HB3  HIS  19           HB2      HIS  19   9.287   7.559   1.519
  126    HD1  HIS  19           HD1      HIS  19   9.747   6.921   4.328
  127    HD2  HIS  19           HD2      HIS  19  12.965   8.107   1.874
  128    HE1  HIS  19           HE1      HIS  19  11.650   7.585   5.920
  129    HE2  HIS  19           HE2      HIS  19  13.635   8.320   4.406
  130    H    ALA  20           H        ALA  20  10.690   3.104   1.328
  131    HA   ALA  20           HA       ALA  20  13.613   3.216   1.046
  132    HB1  ALA  20           HB1      ALA  20  12.132   1.896   3.385
  133    HB2  ALA  20           HB2      ALA  20  13.851   1.685   3.034
  134    HB3  ALA  20           HB3      ALA  20  13.239   3.286   3.499
  135    HA   PRO  21           HA       PRO  21  12.500  -0.121  -1.579
  136    HB2  PRO  21           HB3      PRO  21  14.738  -1.698  -1.741
  137    HB3  PRO  21           HB2      PRO  21  14.662  -0.034  -2.397
  138    HG2  PRO  21           HG3      PRO  21  15.750  -0.921   0.296
  139    HG3  PRO  21           HG2      PRO  21  16.547   0.126  -0.921
  140    HD2  PRO  21           HD3      PRO  21  15.213   1.184   1.193
  141    HD3  PRO  21           HD2      PRO  21  15.110   1.950  -0.422
  142    H    LEU  22           H        LEU  22  13.575  -1.034   1.635
  143    HA   LEU  22           HA       LEU  22  11.497  -2.953   1.869
  144    HB2  LEU  22           HB3      LEU  22  12.826  -4.897   2.534
  145    HB3  LEU  22           HB2      LEU  22  13.170  -4.417   0.893
  146    HG   LEU  22           HG       LEU  22  15.200  -3.069   2.088
  147   HD11  LEU  22          HD11      LEU  22  14.731  -5.483   3.882
  148   HD12  LEU  22          HD12      LEU  22  14.645  -3.797   4.395
  149   HD13  LEU  22          HD13      LEU  22  16.191  -4.472   3.862
  150   HD21  LEU  22          HD21      LEU  22  16.637  -4.987   1.566
  151   HD22  LEU  22          HD22      LEU  22  15.424  -4.715   0.297
  152   HD23  LEU  22          HD23      LEU  22  15.206  -6.037   1.468
  153    H    ALA  23           H        ALA  23  11.629  -3.908   4.209
  154    HA   ALA  23           HA       ALA  23  12.806  -2.110   6.198
  155    HB1  ALA  23           HB1      ALA  23  10.741  -0.910   5.545
  156    HB2  ALA  23           HB2      ALA  23   9.785  -2.385   5.867
  157    HB3  ALA  23           HB3      ALA  23  10.606  -1.549   7.200
  158    H    ASP  24           H        ASP  24  12.064  -5.196   5.246
  159    HA   ASP  24           HA       ASP  24  12.201  -6.527   7.771
  160    HB2  ASP  24           HB3      ASP  24   9.700  -6.075   7.090
  161    HB3  ASP  24           HB2      ASP  24  10.012  -7.153   5.743