*HEADER    DE NOVO PROTEIN, ANTIMICROBIAL PROTEIN  22-MAY-17   5XNG              
*TITLE     EFK17A STRUCTURE IN MICROGEL MAA60                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CATHELICIDIN ANTIMICROBIAL PEPTIDE;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 149-165;                                      
*COMPND   5 SYNONYM: 18 KDA CATIONIC ANTIMICROBIAL PROTEIN,HCAP-18;              
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 OTHER_DETAILS: EFK17 IS A TRUNCATED PART OF THE HUMAN ANTIMICROBIAL  
*SOURCE   7 PEPTIDE LL37                                                         
*KEYWDS    ANTIMICROBIAL PEPTIDE, HELICAL STRUCTURE, PEPTIDE DERIVED FROM HUMAN  
*KEYWDS   2 LL37, DE NOVO PROTEIN, ANTIMICROBIAL PROTEIN                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.DATTA,A.BHUNIA                                                      
*REVDAT   1   18-APR-18 5XNG    0                                                
# Restraints file 1: EFK17A.upl
1 GLU QB	1 GLU H		3.3	2.0

1 GLU QG	1 GLU H		3.5	2.0

1 GLU HA	2 PHE H		3.3	2.0

1 GLU QB	2 PHE H		3.5	2.0

1 GLU QG	2 PHE H		3.8	2.0
2 PHE QB	2 PHE H		3.5	2.0

2 PHE QB	2 PHE QD	3.5	2.0

2 PHE QB	2 PHE QD	3.8	2.0
2 PHE HA	3 LYS H		3.3	2.0
2 PHE QB	3 LYS H		3.5	2.0
3 LYS QB	3 LYS H		3.5	2.0
3 LYS QG	3 LYS H		3.8	2.0

3 LYS QD	3 LYS H		3.8	2.0

3 LYS HA	4 ARG H		3.3	2.0

3 LYS QB	4 ARG H		3.5	2.0

3 LYS QG	4 ARG H		3.8	2.0

3 LYS QD	4 ARG H		3.8	2.0

4 ARG QB	4 ARG H		3.3	2.0

4 ARG QG	4 ARG H		3.5	2.0

4 ARG HA	5 ILE H		3.3	2.0

4 ARG QB	5 ILE H		3.5	2.0

4 ARG QG	5 ILE H		3.8	2.0

5 ILE QB	5 ILE H		3.5	2.0

5 ILE HG21	5 ILE H		3.6	2.0

5 ILE HG12	5 ILE H		3.8	2.0

5 ILE HD1	5 ILE H		4.0	2.0

5 ILE HA	6 VAL H		3.3	2.0

5 ILE QB	6 VAL H		3.5	2.0

5 ILE HD1	6 VAL H		4.2	2.0

6 VAL HB	6 VAL H		3.5	2.0

6 VAL QQG	6 VAL H		3.8	2.0

6 VAL HA 	7 GLN H		3.5	2.0

6 VAL HB	7 GLN H		3.8	2.0

6 VAL QQG	7 GLN H		4.0	2.0

7 GLN QB	7 GLN H		3.5	2.0

7 GLN QG	7 GLN H		3.8	2.0

7 GLN HA	8 ARG H		3.3	2.0
7 GLN QB	8 ARG H		3.5	2.0

7 GLN QG	8 ARG H		3.8	2.0

8 ARG QB	8 ARG H		3.5	2.0

8 ARG QG	8 ARG H		3.8	2.0

8 ARG HA	9 ILE H		3.3	2.0

8 ARG QB	9 ILE H		3.5	2.0

8 ARG QG	9 ILE H		3.8	2.0

9 ILE QB	9 ILE H		3.5	2.0

9 ILE HG21	9 ILE H		3.8	2.0

9 ILE HG12	9 ILE H		3.8	2.0

9 ILE HD1	9 ILE H		4.0	2.0

9 ILE HA	10 LYS H	3.3	2.0

9 ILE QB	10 LYS H	3.5	2.0

9 ILE HD1	10 LYS H	4.0	2.0

10 LYS QB	10 LYS H	3.5	2.0

10 LYS QG	10 LYS H	3.8	2.0

10 LYS QD	10 LYS H	3.8	2.0

10 LYS HA	11 ASP H	3.3	2.0

10 LYS QB	11 ASP H	3.5	2.0

10 LYS QD	11 ASP H	3.8	2.0

10 LYS QG	11 ASP H	4.0	2.0

11 ASP QB	11 ASP H	3.5	2.0

11 ASP HA	12 PHE H	3.3	2.0

11 ASP QB	12 PHE H	3.5	2.0

12 PHE QB	12 PHE H	3.5	2.0

12 PHE QB	12 PHE QD	3.8	2.0

12 PHE QB	12 PHE QE	4.0	2.0

12 PHE HA	13 LEU H	3.3	2.0

12 PHE QB	13 LEU H	3.5	2.0

13 LEU QB	13 LEU H	3.5	2.0

13 LEU HG	13 LEU H	3.8	2.0

13 LEU QQD	13 LEU H	3.9	2.0

13 LEU HA	14 ARG H	3.3	2.0

13 LEU QB	14 ARG H	3.5	2.0

13 LEU HG	14 ARG H	3.8	2.0

13 LEU QQD	14 ARG H	4.0	2.0

14 ARG QB	14 ARG H	3.5	2.0

14 ARG QG	14 ARG H	3.8	2.0

14 ARG HA	15 ASN H	3.3	2.0

14 ARG QB	15 ASN H	3.5	2.0

15 ASN QB	15 ASN H	3.5	2.0

15 ASN HA	16 LEU H	3.3	2.0

15 ASN QB	16 LEU H	3.5	2.0

16 LEU QB	16 LEU H	3.5	2.0

16 LEU HG	16 LEU H	3.8	2.0

16 LEU QQD	16 LEU H	4.0	2.0

16 LEU HA 	17 VAL H	3.3	2.0

16 LEU QB	17 VAL H	3.5	2.0

16 LEU HG	17 VAL H	3.8	2.0

16 LEU QQD	17 VAL H	4.0	2.0

17 VAL QB	17 VAL H	3.5	2.0

17 VAL QQG	17 VAL H	4.0	2.0

1 GLU H		2 PHE H		2.9	2.0

2 PHE H		3 LYS H		3.0	2.0

3 LYS H		4 ARG H		3.0	2.0

4 ARG H		5 ILE H		2.9	2.0

5 ILE H		6 VAL H		2.8	2.0

6 VAL H		7 GLN H		3.0	2.0

7 GLN H		8 ARG H		3.1	2.0

8 ARG H		9 ILE H		2.9	2.0

9 ILE H		10 LYS H	3.0	2.0

10 LYS H	11 ASP H	3.0	2.0

11 ASP H	12 PHE H	2.8	2.0

12 PHE H	13 LEU H	2.8	2.0

13 LEU H	14 ARG H	3.0	2.0

14 ARG H	15 ASN H	3.0	2.0

15 ASN H	16 LEU H	3.0	2.0

16 LEU H	17 VAL H	2.8	2.0

1 GLU H		3 LYS H		4.2	2.0

7 GLN H		9 ILE H		4.3	2.0

8 ARG H		10 LYS H	4.2	2.0

15 ASN H	13 LEU H	4.2	2.0

4 ARG HA	7 GLN H		3.4	2.0

4 ARG HA	8 ARG H		4.2	2.0

7 GLN HA	10 LYS H	3.4	2.0

11 ASP HA	15 ASN H	4.2	2.0

3 LYS HA	6 VAL H		3.4	2.0

7 GLN HA	11 ASP H	4.2	2.0

6 VAL HA	9 ILE H		3.4	2.0

13 LEU HA	16 LEU H	3.4	2.0

9 ILE HA	12 PHE H	3.4	2.0

13 LEU HA	17 VAL H	4.2	2.0

16 LEU QQD	12 PHE QD	3.4	2.0

5 ILE HD1	2 PHE QD	3.9	2.0

5 ILE HD1	2 PHE HZ	3.3	2.0

5 ILE HD1	2 PHE QE	3.6	2.0

6 VAL QQG	3 LYS H		3.9	2.0

9 ILE QB	12 PHE QD	3.8	2.0

13 LEU QB	12 PHE QD	3.9	2.0

16 LEU QQD	15 ASN HD21	5.0	2.0

13 LEU QQD	12 PHE QD	4.5	2.0

13 LEU QQD	12 PHE QE	4.8	2.0	# Restraints file 2: EFK17A.seq
GLU
PHE
LYS
ARG
ILE
VAL
GLN
ARG
ILE
LYS
ASP
PHE
LEU
ARG
ASN
LEU
VAL

# Restraints file 3: EFK17A.aco
# Torsion angle constraints 
# generated from HA secondary chemical shifts			
   
   2 PHE  PHI  -120   -30
   2 PHE  PSI  -120   120
   3 LYS  PHI  -120   -30
   3 LYS  PSI  -120   120
   4 ARG  PHI  -120   -30
   4 ARG  PSI  -120   120
   5 ILE  PHI  -120   -30
   5 ILE  PSI  -120   120
   6 VAL  PHI  -120   -30
   6 VAL  PSI  -120   120
   7 GLN  PHI  -120   -30
   7 GLN  PSI  -120   120
   8 ARG  PHI  -120   -30
   8 ARG  PSI  -120   120
   9 ILE  PHI  -120   -30
   9 ILE  PSI  -120   120
  10 LYS  PHI  -120   -30
  10 LYS  PSI  -120   120
  11 ASP  PHI  -120   -30
  11 ASP  PSI  -120   120
  12 PHE  PHI  -120   -30
  12 PHE  PSI  -120   120
  13 LEU  PHI  -120   -30
  13 LEU  PSI  -120   120
  14 ARG  PHI  -120   -30
  14 ARG  PSI  -120   120
  15 ASN  PHI  -120   -30
  15 ASN  PSI  -120   120
  
  16 LEU  PHI  -120   -30
  16 LEU  PSI  -120   120
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           H        GLU   1   1.808   0.001   0.855
    2    HA   GLU   1           HA       GLU   1   1.464   0.409  -2.018
    3    HB2  GLU   1          2HB       GLU   1   4.137   0.276  -0.681
    4    HB3  GLU   1          3HB       GLU   1   3.639   1.214  -2.081
    5    HG2  GLU   1          2HG       GLU   1   2.343   2.693  -0.631
    6    HG3  GLU   1          3HG       GLU   1   2.850   1.755   0.773
    7    H    PHE   2           H        PHE   2   1.944  -2.101   0.165
    8    HA   PHE   2           HA       PHE   2   3.104  -3.815  -1.934
    9    HB2  PHE   2          2HB       PHE   2   4.336  -3.427   0.341
   10    HB3  PHE   2          3HB       PHE   2   3.144  -4.560   0.971
   11    HD1  PHE   2           HD1      PHE   2   5.895  -4.151  -1.452
   12    HD2  PHE   2           HD2      PHE   2   3.320  -6.878   0.561
   13    HE1  PHE   2           HE1      PHE   2   7.276  -6.030  -2.238
   14    HE2  PHE   2           HE2      PHE   2   4.698  -8.761  -0.221
   15    HZ   PHE   2           HZ       PHE   2   6.679  -8.338  -1.621
   16    H    LYS   3           H        LYS   3   0.237  -3.018  -0.959
   17    HA   LYS   3           HA       LYS   3  -0.802  -5.760  -0.696
   18    HB2  LYS   3          2HB       LYS   3  -2.949  -4.342  -0.064
   19    HB3  LYS   3          3HB       LYS   3  -1.706  -4.706   1.125
   20    HG2  LYS   3          2HG       LYS   3  -2.350  -2.395   1.299
   21    HG3  LYS   3          3HG       LYS   3  -0.691  -2.504   0.707
   22    HD2  LYS   3          2HD       LYS   3  -1.223  -1.666  -1.334
   23    HD3  LYS   3          3HD       LYS   3  -2.822  -2.412  -1.342
   24    HE2  LYS   3          2HE       LYS   3  -3.713  -0.459  -0.777
   25    HE3  LYS   3          3HE       LYS   3  -2.807  -0.497   0.734
   26    HZ1  LYS   3          1HZ       LYS   3  -2.520   1.332  -1.267
   27    HZ2  LYS   3          2HZ       LYS   3  -1.192   0.307  -1.485
   28    HZ3  LYS   3          3HZ       LYS   3  -1.433   1.072   0.004
   29    H    ARG   4           H        ARG   4  -0.610  -3.052  -2.761
   30    HA   ARG   4           HA       ARG   4  -2.997  -3.590  -4.268
   31    HB2  ARG   4          2HB       ARG   4  -0.643  -1.970  -5.219
   32    HB3  ARG   4          3HB       ARG   4  -2.332  -1.811  -5.680
   33    HG2  ARG   4          2HG       ARG   4  -2.710  -1.220  -3.192
   34    HG3  ARG   4          3HG       ARG   4  -0.970  -0.930  -3.172
   35    HD2  ARG   4          2HD       ARG   4  -1.990   0.327  -5.483
   36    HD3  ARG   4          3HD       ARG   4  -3.069   0.746  -4.152
   37    HE   ARG   4           HE       ARG   4  -1.411   2.053  -3.280
   38   HH11  ARG   4          1HH1      ARG   4  -0.011  -0.158  -5.577
   39   HH12  ARG   4          2HH1      ARG   4   1.561   0.566  -5.513
   40   HH21  ARG   4          1HH2      ARG   4   0.655   3.015  -3.187
   41   HH22  ARG   4          2HH2      ARG   4   1.940   2.370  -4.152
   42    H    ILE   5           H        ILE   5   0.355  -4.540  -4.403
   43    HA   ILE   5           HA       ILE   5   0.263  -5.563  -7.076
   44    HB   ILE   5           HB       ILE   5   2.397  -6.767  -6.335
   45   HG12  ILE   5          2HG1      ILE   5   2.220  -4.881  -3.988
   46   HG13  ILE   5          3HG1      ILE   5   1.729  -6.567  -3.873
   47   HG21  ILE   5          1HG2      ILE   5   2.319  -3.762  -6.096
   48   HG22  ILE   5          2HG2      ILE   5   3.716  -4.748  -6.523
   49   HG23  ILE   5          3HG2      ILE   5   2.333  -4.660  -7.613
   50   HD11  ILE   5          1HD1      ILE   5   4.383  -5.389  -3.869
   51   HD12  ILE   5          2HD1      ILE   5   3.835  -6.963  -3.291
   52   HD13  ILE   5          3HD1      ILE   5   4.224  -6.736  -4.996
   53    H    VAL   6           H        VAL   6  -0.216  -6.893  -3.858
   54    HA   VAL   6           HA       VAL   6  -0.419  -9.610  -4.829
   55    HB   VAL   6           HB       VAL   6  -1.117 -10.108  -2.461
   56   HG11  VAL   6          1HG1      VAL   6   1.324  -9.858  -3.506
   57   HG12  VAL   6          2HG1      VAL   6   1.433  -8.618  -2.255
   58   HG13  VAL   6          3HG1      VAL   6   1.052 -10.284  -1.817
   59   HG21  VAL   6          1HG2      VAL   6  -0.345  -7.242  -1.947
   60   HG22  VAL   6          2HG2      VAL   6  -2.013  -7.807  -2.035
   61   HG23  VAL   6          3HG2      VAL   6  -0.939  -8.423  -0.780
   62    H    GLN   7           H        GLN   7  -2.551  -6.971  -4.027
   63    HA   GLN   7           HA       GLN   7  -4.935  -8.565  -3.943
   64    HB2  GLN   7          2HB       GLN   7  -5.009  -6.566  -2.683
   65    HB3  GLN   7          3HB       GLN   7  -4.411  -5.602  -4.027
   66    HG2  GLN   7          2HG       GLN   7  -6.448  -5.465  -5.023
   67    HG3  GLN   7          3HG       GLN   7  -6.985  -7.022  -4.394
   68   HE21  GLN   7          1HE2      GLN   7  -8.875  -6.425  -3.492
   69   HE22  GLN   7          2HE2      GLN   7  -9.022  -5.298  -2.191
   70    H    ARG   8           H        ARG   8  -3.005  -7.232  -6.413
   71    HA   ARG   8           HA       ARG   8  -5.149  -7.087  -8.363
   72    HB2  ARG   8          2HB       ARG   8  -3.504  -5.415  -8.647
   73    HB3  ARG   8          3HB       ARG   8  -2.186  -6.567  -8.472
   74    HG2  ARG   8          2HG       ARG   8  -2.333  -7.279 -10.629
   75    HG3  ARG   8          3HG       ARG   8  -4.063  -6.945 -10.738
   76    HD2  ARG   8          2HD       ARG   8  -3.744  -4.790 -11.356
   77    HD3  ARG   8          3HD       ARG   8  -2.299  -4.607 -10.362
   78    HE   ARG   8           HE       ARG   8  -2.394  -5.279 -13.123
   79   HH11  ARG   8          1HH1      ARG   8  -0.620  -5.852 -10.183
   80   HH12  ARG   8          2HH1      ARG   8   0.869  -6.207 -10.996
   81   HH21  ARG   8          1HH2      ARG   8  -0.440  -5.745 -14.205
   82   HH22  ARG   8          2HH2      ARG   8   0.970  -6.145 -13.284
   83    H    ILE   9           H        ILE   9  -2.967  -9.409  -7.167
   84    HA   ILE   9           HA       ILE   9  -3.179 -11.059  -9.581
   85    HB   ILE   9           HB       ILE   9  -1.580 -12.578  -8.301
   86   HG12  ILE   9          2HG1      ILE   9  -1.247 -10.083  -6.621
   87   HG13  ILE   9          3HG1      ILE   9  -2.035 -11.559  -6.075
   88   HG21  ILE   9          1HG2      ILE   9   0.013 -10.197  -8.593
   89   HG22  ILE   9          2HG2      ILE   9  -0.029 -11.648  -9.593
   90   HG23  ILE   9          3HG2      ILE   9  -1.161 -10.331  -9.902
   91   HD11  ILE   9          1HD1      ILE   9   0.223 -12.672  -6.728
   92   HD12  ILE   9          2HD1      ILE   9   0.848 -11.029  -6.587
   93   HD13  ILE   9          3HD1      ILE   9   0.069 -11.798  -5.204
   94    H    LYS  10           H        LYS  10  -3.980 -11.023  -6.151
   95    HA   LYS  10           HA       LYS  10  -4.916 -13.640  -5.884
   96    HB2  LYS  10          2HB       LYS  10  -6.133 -12.844  -3.936
   97    HB3  LYS  10          3HB       LYS  10  -4.537 -12.109  -3.988
   98    HG2  LYS  10          2HG       LYS  10  -5.803 -10.291  -3.463
   99    HG3  LYS  10          3HG       LYS  10  -5.823 -10.180  -5.225
  100    HD2  LYS  10          2HD       LYS  10  -8.034 -10.463  -5.292
  101    HD3  LYS  10          3HD       LYS  10  -7.948 -11.883  -4.247
  102    HE2  LYS  10          2HE       LYS  10  -7.712  -9.103  -3.142
  103    HE3  LYS  10          3HE       LYS  10  -9.285  -9.848  -3.427
  104    HZ1  LYS  10          1HZ       LYS  10  -8.426 -10.132  -1.136
  105    HZ2  LYS  10          2HZ       LYS  10  -7.158 -11.065  -1.754
  106    HZ3  LYS  10          3HZ       LYS  10  -8.756 -11.596  -1.918
  107    H    ASP  11           H        ASP  11  -6.427 -10.789  -7.234
  108    HA   ASP  11           HA       ASP  11  -8.951 -12.232  -7.590
  109    HB2  ASP  11          2HB       ASP  11  -8.247  -9.474  -7.183
  110    HB3  ASP  11          3HB       ASP  11  -9.145  -9.637  -8.689
  111    H    PHE  12           H        PHE  12  -6.169 -12.171  -9.156
  112    HA   PHE  12           HA       PHE  12  -7.222 -11.742 -11.844
  113    HB2  PHE  12          2HB       PHE  12  -5.097 -10.776 -11.639
  114    HB3  PHE  12          3HB       PHE  12  -4.466 -12.135 -10.714
  115    HD1  PHE  12           HD1      PHE  12  -2.926 -13.426 -11.800
  116    HD2  PHE  12           HD2      PHE  12  -6.024 -11.586 -14.065
  117    HE1  PHE  12           HE1      PHE  12  -1.991 -14.394 -13.860
  118    HE2  PHE  12           HE2      PHE  12  -5.095 -12.552 -16.128
  119    HZ   PHE  12           HZ       PHE  12  -3.076 -13.958 -16.027
  120    H    LEU  13           H        LEU  13  -6.533 -14.281  -9.645
  121    HA   LEU  13           HA       LEU  13  -6.873 -16.263 -11.800
  122    HB2  LEU  13          2HB       LEU  13  -5.850 -17.773  -9.870
  123    HB3  LEU  13          3HB       LEU  13  -4.847 -16.900 -11.027
  124    HG   LEU  13           HG       LEU  13  -4.563 -15.097  -9.345
  125   HD11  LEU  13          1HD1      LEU  13  -6.179 -16.992  -7.666
  126   HD12  LEU  13          2HD1      LEU  13  -6.462 -15.279  -7.974
  127   HD13  LEU  13          3HD1      LEU  13  -5.109 -15.780  -6.961
  128   HD21  LEU  13          1HD2      LEU  13  -3.243 -17.467  -9.567
  129   HD22  LEU  13          2HD2      LEU  13  -3.660 -17.453  -7.854
  130   HD23  LEU  13          3HD2      LEU  13  -2.735 -16.121  -8.547
  131    H    ARG  14           H        ARG  14  -8.142 -14.949  -8.921
  132    HA   ARG  14           HA       ARG  14  -9.707 -17.264  -8.194
  133    HB2  ARG  14          2HB       ARG  14  -9.469 -14.456  -7.170
  134    HB3  ARG  14          3HB       ARG  14 -10.833 -15.454  -6.682
  135    HG2  ARG  14          2HG       ARG  14  -9.285 -17.133  -5.801
  136    HG3  ARG  14          3HG       ARG  14  -7.923 -16.117  -6.279
  137    HD2  ARG  14          2HD       ARG  14  -8.057 -15.169  -4.270
  138    HD3  ARG  14          3HD       ARG  14  -9.565 -14.429  -4.808
  139    HE   ARG  14           HE       ARG  14 -10.727 -15.893  -3.476
  140   HH11  ARG  14          1HH1      ARG  14  -7.426 -16.958  -3.767
  141   HH12  ARG  14          2HH1      ARG  14  -7.576 -18.182  -2.550
  142   HH21  ARG  14          1HH2      ARG  14 -10.938 -17.500  -1.872
  143   HH22  ARG  14          2HH2      ARG  14  -9.575 -18.490  -1.473
  144    H    ASN  15           H        ASN  15  -9.934 -14.998 -10.596
  145    HA   ASN  15           HA       ASN  15 -12.875 -15.072 -10.631
  146    HB2  ASN  15          2HB       ASN  15 -11.612 -12.838 -10.704
  147    HB3  ASN  15          3HB       ASN  15 -11.153 -13.287 -12.344
  148   HD21  ASN  15          1HD2      ASN  15 -12.298 -11.951 -13.575
  149   HD22  ASN  15          2HD2      ASN  15 -14.016 -11.774 -13.525
  150    H    LEU  16           H        LEU  16 -10.213 -16.560 -11.947
  151    HA   LEU  16           HA       LEU  16 -11.698 -17.289 -14.386
  152    HB2  LEU  16          2HB       LEU  16  -8.798 -17.783 -14.323
  153    HB3  LEU  16          3HB       LEU  16  -9.823 -17.205 -15.635
  154    HG   LEU  16           HG       LEU  16  -8.823 -15.512 -13.346
  155   HD11  LEU  16          1HD1      LEU  16  -7.891 -15.665 -16.209
  156   HD12  LEU  16          2HD1      LEU  16  -6.995 -16.214 -14.793
  157   HD13  LEU  16          3HD1      LEU  16  -7.344 -14.498 -15.004
  158   HD21  LEU  16          1HD2      LEU  16  -9.874 -13.710 -14.314
  159   HD22  LEU  16          2HD2      LEU  16 -11.042 -14.995 -14.627
  160   HD23  LEU  16          3HD2      LEU  16  -9.946 -14.467 -15.905
  161    H    VAL  17           H        VAL  17 -10.494 -18.363 -11.438
  162    HA   VAL  17           HA       VAL  17 -10.850 -21.161 -12.274
  163    HB   VAL  17           HB       VAL  17  -8.747 -20.202 -10.328
  164   HG11  VAL  17          1HG1      VAL  17  -9.210 -22.303  -9.556
  165   HG12  VAL  17          2HG1      VAL  17  -9.749 -22.885 -11.132
  166   HG13  VAL  17          3HG1      VAL  17  -8.026 -22.695 -10.802
  167   HG21  VAL  17          1HG2      VAL  17  -8.686 -20.806 -13.228
  168   HG22  VAL  17          2HG2      VAL  17  -7.728 -19.662 -12.288
  169   HG23  VAL  17          3HG2      VAL  17  -7.331 -21.380 -12.256
  Start of MODEL    2
    1    H1   GLU   1           H        GLU   1   1.890   0.052   0.588
    2    HA   GLU   1           HA       GLU   1   1.168   0.472  -2.226
    3    HB2  GLU   1          2HB       GLU   1   3.997   0.384  -1.253
    4    HB3  GLU   1          3HB       GLU   1   3.313   1.271  -2.608
    5    HG2  GLU   1          2HG       GLU   1   2.218   2.805  -1.056
    6    HG3  GLU   1          3HG       GLU   1   2.903   1.916   0.303
    7    H    PHE   2           H        PHE   2   1.951  -1.962  -0.043
    8    HA   PHE   2           HA       PHE   2   2.944  -3.727  -2.177
    9    HB2  PHE   2          2HB       PHE   2   4.201  -3.343   0.095
   10    HB3  PHE   2          3HB       PHE   2   3.010  -4.479   0.721
   11    HD1  PHE   2           HD1      PHE   2   5.749  -4.054  -1.711
   12    HD2  PHE   2           HD2      PHE   2   3.173  -6.794   0.282
   13    HE1  PHE   2           HE1      PHE   2   7.119  -5.929  -2.525
   14    HE2  PHE   2           HE2      PHE   2   4.539  -8.673  -0.527
   15    HZ   PHE   2           HZ       PHE   2   6.515  -8.242  -1.932
   16    H    LYS   3           H        LYS   3   0.112  -2.869  -1.029
   17    HA   LYS   3           HA       LYS   3  -0.978  -5.581  -0.738
   18    HB2  LYS   3          2HB       LYS   3  -3.065  -4.327  -0.011
   19    HB3  LYS   3          3HB       LYS   3  -1.679  -4.221   1.065
   20    HG2  LYS   3          2HG       LYS   3  -1.690  -2.082  -0.884
   21    HG3  LYS   3          3HG       LYS   3  -3.172  -2.115   0.075
   22    HD2  LYS   3          2HD       LYS   3  -0.488  -2.340   1.391
   23    HD3  LYS   3          3HD       LYS   3  -1.145  -0.763   0.945
   24    HE2  LYS   3          2HE       LYS   3  -3.096  -2.418   2.314
   25    HE3  LYS   3          3HE       LYS   3  -1.645  -2.166   3.283
   26    HZ1  LYS   3          1HZ       LYS   3  -3.349  -0.452   3.637
   27    HZ2  LYS   3          2HZ       LYS   3  -3.221   0.007   2.015
   28    HZ3  LYS   3          3HZ       LYS   3  -1.899   0.196   3.053
   29    H    ARG   4           H        ARG   4  -0.937  -2.804  -2.809
   30    HA   ARG   4           HA       ARG   4  -3.258  -3.493  -4.331
   31    HB2  ARG   4          2HB       ARG   4  -2.675  -1.694  -5.759
   32    HB3  ARG   4          3HB       ARG   4  -2.228  -1.186  -4.136
   33    HG2  ARG   4          2HG       ARG   4   0.116  -1.970  -4.686
   34    HG3  ARG   4          3HG       ARG   4  -0.427  -2.089  -6.361
   35    HD2  ARG   4          2HD       ARG   4  -1.259   0.359  -5.942
   36    HD3  ARG   4          3HD       ARG   4  -0.065   0.325  -4.644
   37    HE   ARG   4           HE       ARG   4   1.004  -0.568  -7.141
   38   HH11  ARG   4          1HH1      ARG   4   0.209   2.251  -5.258
   39   HH12  ARG   4          2HH1      ARG   4   1.372   3.265  -6.046
   40   HH21  ARG   4          1HH2      ARG   4   2.537   0.758  -8.186
   41   HH22  ARG   4          2HH2      ARG   4   2.695   2.415  -7.712
   42    H    ILE   5           H        ILE   5   0.126  -4.304  -4.454
   43    HA   ILE   5           HA       ILE   5   0.091  -5.332  -7.126
   44    HB   ILE   5           HB       ILE   5   2.265  -6.452  -6.369
   45   HG12  ILE   5          2HG1      ILE   5   1.999  -4.570  -4.028
   46   HG13  ILE   5          3HG1      ILE   5   1.576  -6.275  -3.912
   47   HG21  ILE   5          1HG2      ILE   5   1.979  -3.455  -6.217
   48   HG22  ILE   5          2HG2      ILE   5   3.496  -4.321  -6.452
   49   HG23  ILE   5          3HG2      ILE   5   2.229  -4.414  -7.675
   50   HD11  ILE   5          1HD1      ILE   5   4.113  -6.240  -5.049
   51   HD12  ILE   5          2HD1      ILE   5   4.152  -5.012  -3.783
   52   HD13  ILE   5          3HD1      ILE   5   3.687  -6.667  -3.392
   53    H    VAL   6           H        VAL   6  -0.353  -6.678  -3.909
   54    HA   VAL   6           HA       VAL   6  -0.465  -9.399  -4.897
   55    HB   VAL   6           HB       VAL   6  -1.109  -9.937  -2.521
   56   HG11  VAL   6          1HG1      VAL   6   1.310  -9.579  -3.614
   57   HG12  VAL   6          2HG1      VAL   6   1.397  -8.383  -2.319
   58   HG13  VAL   6          3HG1      VAL   6   1.074 -10.075  -1.939
   59   HG21  VAL   6          1HG2      VAL   6  -2.063  -7.668  -2.060
   60   HG22  VAL   6          2HG2      VAL   6  -0.947  -8.258  -0.829
   61   HG23  VAL   6          3HG2      VAL   6  -0.412  -7.052  -1.999
   62    H    GLN   7           H        GLN   7  -2.661  -6.825  -4.101
   63    HA   GLN   7           HA       GLN   7  -4.997  -8.484  -3.941
   64    HB2  GLN   7          2HB       GLN   7  -5.116  -6.462  -2.728
   65    HB3  GLN   7          3HB       GLN   7  -4.555  -5.511  -4.097
   66    HG2  GLN   7          2HG       GLN   7  -6.603  -5.447  -5.077
   67    HG3  GLN   7          3HG       GLN   7  -7.095  -7.003  -4.410
   68   HE21  GLN   7          1HE2      GLN   7  -8.139  -4.092  -4.432
   69   HE22  GLN   7          2HE2      GLN   7  -8.633  -3.848  -2.795
   70    H    ARG   8           H        ARG   8  -3.148  -7.135  -6.471
   71    HA   ARG   8           HA       ARG   8  -5.321  -7.101  -8.390
   72    HB2  ARG   8          2HB       ARG   8  -3.866  -6.057  -9.845
   73    HB3  ARG   8          3HB       ARG   8  -3.208  -5.554  -8.294
   74    HG2  ARG   8          2HG       ARG   8  -1.728  -7.699  -8.578
   75    HG3  ARG   8          3HG       ARG   8  -2.118  -7.476 -10.285
   76    HD2  ARG   8          2HD       ARG   8  -1.254  -5.068  -8.809
   77    HD3  ARG   8          3HD       ARG   8  -0.025  -6.305  -9.073
   78    HE   ARG   8           HE       ARG   8  -1.239  -5.931 -11.513
   79   HH11  ARG   8          1HH1      ARG   8   0.495  -3.957  -9.228
   80   HH12  ARG   8          2HH1      ARG   8   1.131  -2.890 -10.435
   81   HH21  ARG   8          1HH2      ARG   8  -0.407  -4.533 -13.111
   82   HH22  ARG   8          2HH2      ARG   8   0.617  -3.217 -12.644
   83    H    ILE   9           H        ILE   9  -3.009  -9.320  -7.205
   84    HA   ILE   9           HA       ILE   9  -3.227 -11.035  -9.568
   85    HB   ILE   9           HB       ILE   9  -1.581 -12.486  -8.270
   86   HG12  ILE   9          2HG1      ILE   9  -1.284  -9.949  -6.648
   87   HG13  ILE   9          3HG1      ILE   9  -2.053 -11.420  -6.063
   88   HG21  ILE   9          1HG2      ILE   9  -0.649  -9.710  -8.983
   89   HG22  ILE   9          2HG2      ILE   9   0.307 -11.192  -8.995
   90   HG23  ILE   9          3HG2      ILE   9  -1.002 -10.977 -10.157
   91   HD11  ILE   9          1HD1      ILE   9  -0.020 -11.858  -5.243
   92   HD12  ILE   9          2HD1      ILE   9   0.333 -12.384  -6.889
   93   HD13  ILE   9          3HD1      ILE   9   0.784 -10.762  -6.366
   94    H    LYS  10           H        LYS  10  -4.005 -10.946  -6.134
   95    HA   LYS  10           HA       LYS  10  -4.876 -13.582  -5.812
   96    HB2  LYS  10          2HB       LYS  10  -6.082 -12.785  -3.861
   97    HB3  LYS  10          3HB       LYS  10  -4.507 -12.006  -3.948
   98    HG2  LYS  10          2HG       LYS  10  -5.819 -10.216  -3.435
   99    HG3  LYS  10          3HG       LYS  10  -5.864 -10.134  -5.197
  100    HD2  LYS  10          2HD       LYS  10  -8.070 -10.432  -5.211
  101    HD3  LYS  10          3HD       LYS  10  -7.928 -11.885  -4.219
  102    HE2  LYS  10          2HE       LYS  10  -7.764 -10.416  -2.214
  103    HE3  LYS  10          3HE       LYS  10  -8.085  -9.031  -3.257
  104    HZ1  LYS  10          1HZ       LYS  10 -10.249  -9.630  -3.546
  105    HZ2  LYS  10          2HZ       LYS  10 -10.008 -10.247  -1.989
  106    HZ3  LYS  10          3HZ       LYS  10  -9.958 -11.283  -3.325
  107    H    ASP  11           H        ASP  11  -6.464 -10.785  -7.189
  108    HA   ASP  11           HA       ASP  11  -8.957 -12.293  -7.498
  109    HB2  ASP  11          2HB       ASP  11  -8.355  -9.546  -7.048
  110    HB3  ASP  11          3HB       ASP  11  -9.148  -9.674  -8.616
  111    H    PHE  12           H        PHE  12  -6.193 -12.169  -9.097
  112    HA   PHE  12           HA       PHE  12  -7.280 -11.785 -11.776
  113    HB2  PHE  12          2HB       PHE  12  -5.169 -10.792 -11.613
  114    HB3  PHE  12          3HB       PHE  12  -4.512 -12.120 -10.662
  115    HD1  PHE  12           HD1      PHE  12  -6.070 -11.637 -14.022
  116    HD2  PHE  12           HD2      PHE  12  -2.977 -13.442 -11.721
  117    HE1  PHE  12           HE1      PHE  12  -5.134 -12.631 -16.068
  118    HE2  PHE  12           HE2      PHE  12  -2.035 -14.438 -13.764
  119    HZ   PHE  12           HZ       PHE  12  -3.113 -14.033 -15.941
  120    H    LEU  13           H        LEU  13  -6.540 -14.301  -9.567
  121    HA   LEU  13           HA       LEU  13  -6.866 -16.301 -11.707
  122    HB2  LEU  13          2HB       LEU  13  -5.820 -17.783  -9.764
  123    HB3  LEU  13          3HB       LEU  13  -4.832 -16.913 -10.937
  124    HG   LEU  13           HG       LEU  13  -4.562 -15.087  -9.275
  125   HD11  LEU  13          1HD1      LEU  13  -6.452 -15.289  -7.891
  126   HD12  LEU  13          2HD1      LEU  13  -5.080 -15.749  -6.883
  127   HD13  LEU  13          3HD1      LEU  13  -6.130 -16.992  -7.562
  128   HD21  LEU  13          1HD2      LEU  13  -3.461 -17.759  -9.168
  129   HD22  LEU  13          2HD2      LEU  13  -3.417 -16.973  -7.590
  130   HD23  LEU  13          3HD2      LEU  13  -2.658 -16.200  -8.983
  131    H    ARG  14           H        ARG  14  -8.140 -14.986  -8.830
  132    HA   ARG  14           HA       ARG  14  -9.677 -17.314  -8.087
  133    HB2  ARG  14          2HB       ARG  14  -9.405 -14.520  -7.061
  134    HB3  ARG  14          3HB       ARG  14 -10.822 -15.458  -6.606
  135    HG2  ARG  14          2HG       ARG  14  -8.369 -16.964  -6.272
  136    HG3  ARG  14          3HG       ARG  14  -8.367 -15.462  -5.345
  137    HD2  ARG  14          2HD       ARG  14 -10.152 -16.100  -4.049
  138    HD3  ARG  14          3HD       ARG  14 -10.797 -17.182  -5.283
  139    HE   ARG  14           HE       ARG  14  -8.311 -18.139  -4.328
  140   HH11  ARG  14          1HH1      ARG  14 -11.659 -17.827  -3.425
  141   HH12  ARG  14          2HH1      ARG  14 -11.636 -19.200  -2.368
  142   HH21  ARG  14          1HH2      ARG  14  -8.269 -19.948  -2.939
  143   HH22  ARG  14          2HH2      ARG  14  -9.708 -20.405  -2.092
  144    H    ASN  15           H        ASN  15  -9.936 -15.066 -10.500
  145    HA   ASN  15           HA       ASN  15 -12.877 -15.167 -10.519
  146    HB2  ASN  15          2HB       ASN  15 -11.736 -12.912 -10.589
  147    HB3  ASN  15          3HB       ASN  15 -11.111 -13.357 -12.174
  148   HD21  ASN  15          1HD2      ASN  15 -12.268 -11.469 -12.904
  149   HD22  ASN  15          2HD2      ASN  15 -13.956 -11.587 -13.253
  150    H    LEU  16           H        LEU  16 -10.206 -16.633 -11.842
  151    HA   LEU  16           HA       LEU  16 -11.698 -17.393 -14.268
  152    HB2  LEU  16          2HB       LEU  16  -8.791 -17.849 -14.225
  153    HB3  LEU  16          3HB       LEU  16  -9.834 -17.290 -15.532
  154    HG   LEU  16           HG       LEU  16  -8.843 -15.573 -13.256
  155   HD11  LEU  16          1HD1      LEU  16  -7.012 -16.262 -14.708
  156   HD12  LEU  16          2HD1      LEU  16  -7.380 -14.552 -14.924
  157   HD13  LEU  16          3HD1      LEU  16  -7.919 -15.727 -16.123
  158   HD21  LEU  16          1HD2      LEU  16 -11.070 -15.086 -14.526
  159   HD22  LEU  16          2HD2      LEU  16  -9.993 -14.565 -15.821
  160   HD23  LEU  16          3HD2      LEU  16  -9.912 -13.786 -14.240
  161    H    VAL  17           H        VAL  17 -10.463 -18.436 -11.323
  162    HA   VAL  17           HA       VAL  17 -10.970 -21.220 -12.055
  163    HB   VAL  17           HB       VAL  17  -8.487 -20.387 -10.549
  164   HG11  VAL  17          1HG1      VAL  17  -9.516 -23.081 -11.425
  165   HG12  VAL  17          2HG1      VAL  17  -7.892 -22.790 -10.800
  166   HG13  VAL  17          3HG1      VAL  17  -9.297 -22.508  -9.772
  167   HG21  VAL  17          1HG2      VAL  17  -8.837 -21.386 -13.372
  168   HG22  VAL  17          2HG2      VAL  17  -8.214 -19.815 -12.866
  169   HG23  VAL  17          3HG2      VAL  17  -7.285 -21.278 -12.540
  Start of MODEL    3
    1    H1   GLU   1           H        GLU   1   1.922  -0.310   1.041
    2    HA   GLU   1           HA       GLU   1   1.484   0.304  -1.802
    3    HB2  GLU   1          2HB       GLU   1   4.208   0.103  -0.580
    4    HB3  GLU   1          3HB       GLU   1   3.671   1.064  -1.950
    5    HG2  GLU   1          2HG       GLU   1   2.469   2.556  -0.434
    6    HG3  GLU   1          3HG       GLU   1   3.016   1.594   0.939
    7    H    PHE   2           H        PHE   2   2.003  -2.237   0.336
    8    HA   PHE   2           HA       PHE   2   3.071  -3.948  -1.810
    9    HB2  PHE   2          2HB       PHE   2   4.315  -3.630   0.477
   10    HB3  PHE   2          3HB       PHE   2   3.108  -4.764   1.072
   11    HD1  PHE   2           HD1      PHE   2   3.188  -7.073   0.499
   12    HD2  PHE   2           HD2      PHE   2   5.926  -4.320  -1.245
   13    HE1  PHE   2           HE1      PHE   2   4.538  -8.952  -0.339
   14    HE2  PHE   2           HE2      PHE   2   7.279  -6.194  -2.087
   15    HZ   PHE   2           HZ       PHE   2   6.585  -8.514  -1.635
   16    H    LYS   3           H        LYS   3   0.237  -3.092  -0.670
   17    HA   LYS   3           HA       LYS   3  -0.878  -5.802  -0.461
   18    HB2  LYS   3          2HB       LYS   3  -2.653  -4.932   0.746
   19    HB3  LYS   3          3HB       LYS   3  -1.328  -3.898   1.263
   20    HG2  LYS   3          2HG       LYS   3  -3.258  -3.177  -0.929
   21    HG3  LYS   3          3HG       LYS   3  -3.451  -2.699   0.759
   22    HD2  LYS   3          2HD       LYS   3  -0.917  -1.893   0.325
   23    HD3  LYS   3          3HD       LYS   3  -1.584  -1.702  -1.298
   24    HE2  LYS   3          2HE       LYS   3  -3.555  -0.601   0.197
   25    HE3  LYS   3          3HE       LYS   3  -2.142  -0.204   1.175
   26    HZ1  LYS   3          1HZ       LYS   3  -2.699   1.511  -0.483
   27    HZ2  LYS   3          2HZ       LYS   3  -2.398   0.398  -1.721
   28    HZ3  LYS   3          3HZ       LYS   3  -1.143   0.881  -0.695
   29    H    ARG   4           H        ARG   4  -0.749  -3.000  -2.470
   30    HA   ARG   4           HA       ARG   4  -3.094  -3.583  -4.008
   31    HB2  ARG   4          2HB       ARG   4  -2.460  -1.768  -5.391
   32    HB3  ARG   4          3HB       ARG   4  -2.001  -1.310  -3.756
   33    HG2  ARG   4          2HG       ARG   4   0.320  -2.213  -4.365
   34    HG3  ARG   4          3HG       ARG   4  -0.247  -2.141  -6.035
   35    HD2  ARG   4          2HD       ARG   4  -0.346   0.200  -4.144
   36    HD3  ARG   4          3HD       ARG   4   1.013  -0.117  -5.222
   37    HE   ARG   4           HE       ARG   4  -1.540   0.973  -5.935
   38   HH11  ARG   4          1HH1      ARG   4   1.199  -0.839  -7.090
   39   HH12  ARG   4          2HH1      ARG   4   0.953  -0.402  -8.749
   40   HH21  ARG   4          1HH2      ARG   4  -1.874   1.555  -8.115
   41   HH22  ARG   4          2HH2      ARG   4  -0.794   0.960  -9.330
   42    H    ILE   5           H        ILE   5   0.276  -4.464  -4.152
   43    HA   ILE   5           HA       ILE   5   0.217  -5.436  -6.843
   44    HB   ILE   5           HB       ILE   5   2.364  -6.623  -6.110
   45   HG12  ILE   5          2HG1      ILE   5   2.141  -4.785  -3.730
   46   HG13  ILE   5          3HG1      ILE   5   1.676  -6.481  -3.650
   47   HG21  ILE   5          1HG2      ILE   5   1.891  -3.690  -6.247
   48   HG22  ILE   5          2HG2      ILE   5   3.501  -4.266  -5.818
   49   HG23  ILE   5          3HG2      ILE   5   2.773  -4.746  -7.350
   50   HD11  ILE   5          1HD1      ILE   5   4.277  -5.290  -3.474
   51   HD12  ILE   5          2HD1      ILE   5   3.778  -6.951  -3.157
   52   HD13  ILE   5          3HD1      ILE   5   4.221  -6.461  -4.791
   53    H    VAL   6           H        VAL   6  -0.250  -6.845  -3.654
   54    HA   VAL   6           HA       VAL   6  -0.417  -9.541  -4.693
   55    HB   VAL   6           HB       VAL   6  -1.092 -10.113  -2.339
   56   HG11  VAL   6          1HG1      VAL   6   1.421  -8.574  -2.081
   57   HG12  VAL   6          2HG1      VAL   6   1.082 -10.266  -1.712
   58   HG13  VAL   6          3HG1      VAL   6   1.345  -9.762  -3.382
   59   HG21  VAL   6          1HG2      VAL   6  -0.389  -7.243  -1.752
   60   HG22  VAL   6          2HG2      VAL   6  -2.042  -7.851  -1.845
   61   HG23  VAL   6          3HG2      VAL   6  -0.943  -8.468  -0.612
   62    H    GLN   7           H        GLN   7  -2.580  -6.950  -3.825
   63    HA   GLN   7           HA       GLN   7  -4.943  -8.576  -3.766
   64    HB2  GLN   7          2HB       GLN   7  -5.040  -6.605  -2.465
   65    HB3  GLN   7          3HB       GLN   7  -4.457  -5.606  -3.790
   66    HG2  GLN   7          2HG       GLN   7  -6.498  -5.478  -4.782
   67    HG3  GLN   7          3HG       GLN   7  -7.016  -7.050  -4.176
   68   HE21  GLN   7          1HE2      GLN   7  -8.910  -6.485  -3.261
   69   HE22  GLN   7          2HE2      GLN   7  -9.064  -5.382  -1.941
   70    H    ARG   8           H        ARG   8  -3.036  -7.179  -6.215
   71    HA   ARG   8           HA       ARG   8  -5.190  -7.018  -8.155
   72    HB2  ARG   8          2HB       ARG   8  -3.569  -5.319  -8.411
   73    HB3  ARG   8          3HB       ARG   8  -2.235  -6.456  -8.263
   74    HG2  ARG   8          2HG       ARG   8  -2.380  -7.126 -10.433
   75    HG3  ARG   8          3HG       ARG   8  -4.114  -6.814 -10.530
   76    HD2  ARG   8          2HD       ARG   8  -3.720  -4.841 -11.465
   77    HD3  ARG   8          3HD       ARG   8  -2.786  -4.347 -10.053
   78    HE   ARG   8           HE       ARG   8  -1.761  -5.208 -12.596
   79   HH11  ARG   8          1HH1      ARG   8  -1.086  -4.891  -9.196
   80   HH12  ARG   8          2HH1      ARG   8   0.633  -4.849  -9.408
   81   HH21  ARG   8          1HH2      ARG   8   0.500  -5.154 -12.889
   82   HH22  ARG   8          2HH2      ARG   8   1.534  -4.998 -11.509
   83    H    ILE   9           H        ILE   9  -2.972  -9.334  -7.013
   84    HA   ILE   9           HA       ILE   9  -3.171 -10.938  -9.460
   85    HB   ILE   9           HB       ILE   9  -1.547 -12.460  -8.212
   86   HG12  ILE   9          2HG1      ILE   9  -1.236  -9.989  -6.494
   87   HG13  ILE   9          3HG1      ILE   9  -2.007 -11.482  -5.967
   88   HG21  ILE   9          1HG2      ILE   9  -0.748  -9.660  -8.984
   89   HG22  ILE   9          2HG2      ILE   9   0.386 -10.986  -8.732
   90   HG23  ILE   9          3HG2      ILE   9  -0.806 -11.080 -10.028
   91   HD11  ILE   9          1HD1      ILE   9  -0.020 -12.140  -5.254
   92   HD12  ILE   9          2HD1      ILE   9   0.474 -12.266  -6.943
   93   HD13  ILE   9          3HD1      ILE   9   0.780 -10.780  -6.043
   94    H    LYS  10           H        LYS  10  -3.966 -10.977  -6.029
   95    HA   LYS  10           HA       LYS  10  -4.868 -13.614  -5.818
   96    HB2  LYS  10          2HB       LYS  10  -6.077 -12.880  -3.841
   97    HB3  LYS  10          3HB       LYS  10  -4.488 -12.127  -3.887
   98    HG2  LYS  10          2HG       LYS  10  -5.768 -10.335  -3.308
   99    HG3  LYS  10          3HG       LYS  10  -5.804 -10.181  -5.066
  100    HD2  LYS  10          2HD       LYS  10  -8.015 -10.441  -5.101
  101    HD3  LYS  10          3HD       LYS  10  -7.904 -11.933  -4.164
  102    HE2  LYS  10          2HE       LYS  10  -7.734 -10.555  -2.103
  103    HE3  LYS  10          3HE       LYS  10  -8.000  -9.117  -3.087
  104    HZ1  LYS  10          1HZ       LYS  10  -9.977 -11.149  -3.518
  105    HZ2  LYS  10          2HZ       LYS  10 -10.177  -9.506  -3.170
  106    HZ3  LYS  10          3HZ       LYS  10  -9.937 -10.613  -1.913
  107    H    ASP  11           H        ASP  11  -6.410 -10.750  -7.096
  108    HA   ASP  11           HA       ASP  11  -8.922 -12.212  -7.472
  109    HB2  ASP  11          2HB       ASP  11  -8.252  -9.458  -6.984
  110    HB3  ASP  11          3HB       ASP  11  -9.164  -9.588  -8.485
  111    H    PHE  12           H        PHE  12  -6.155 -12.073  -9.051
  112    HA   PHE  12           HA       PHE  12  -7.239 -11.578 -11.718
  113    HB2  PHE  12          2HB       PHE  12  -5.140 -10.565 -11.517
  114    HB3  PHE  12          3HB       PHE  12  -4.467 -11.919 -10.616
  115    HD1  PHE  12           HD1      PHE  12  -2.921 -13.187 -11.723
  116    HD2  PHE  12           HD2      PHE  12  -6.027 -11.323 -13.957
  117    HE1  PHE  12           HE1      PHE  12  -1.967 -14.095 -13.801
  118    HE2  PHE  12           HE2      PHE  12  -5.079 -12.228 -16.039
  119    HZ   PHE  12           HZ       PHE  12  -3.046 -13.617 -15.963
  120    H    LEU  13           H        LEU  13  -6.461 -14.161  -9.601
  121    HA   LEU  13           HA       LEU  13  -6.777 -16.088 -11.809
  122    HB2  LEU  13          2HB       LEU  13  -5.691 -17.599  -9.877
  123    HB3  LEU  13          3HB       LEU  13  -4.750 -16.754 -11.104
  124    HG   LEU  13           HG       LEU  13  -4.374 -14.913  -9.495
  125   HD11  LEU  13          1HD1      LEU  13  -4.901 -16.122  -7.047
  126   HD12  LEU  13          2HD1      LEU  13  -6.362 -16.375  -8.000
  127   HD13  LEU  13          3HD1      LEU  13  -5.742 -14.743  -7.755
  128   HD21  LEU  13          1HD2      LEU  13  -3.531 -17.699  -8.737
  129   HD22  LEU  13          2HD2      LEU  13  -2.895 -16.257  -7.945
  130   HD23  LEU  13          3HD2      LEU  13  -2.635 -16.502  -9.673
  131    H    ARG  14           H        ARG  14  -8.068 -14.870  -8.913
  132    HA   ARG  14           HA       ARG  14  -9.550 -17.257  -8.220
  133    HB2  ARG  14          2HB       ARG  14  -9.396 -14.472  -7.110
  134    HB3  ARG  14          3HB       ARG  14 -10.683 -15.561  -6.613
  135    HG2  ARG  14          2HG       ARG  14  -8.945 -17.198  -5.917
  136    HG3  ARG  14          3HG       ARG  14  -7.723 -15.976  -6.275
  137    HD2  ARG  14          2HD       ARG  14  -8.369 -14.626  -4.516
  138    HD3  ARG  14          3HD       ARG  14  -9.996 -15.303  -4.461
  139    HE   ARG  14           HE       ARG  14  -7.681 -16.263  -3.078
  140   HH11  ARG  14          1HH1      ARG  14 -10.741 -17.183  -4.459
  141   HH12  ARG  14          2HH1      ARG  14 -10.937 -18.564  -3.431
  142   HH21  ARG  14          1HH2      ARG  14  -7.928 -18.079  -1.719
  143   HH22  ARG  14          2HH2      ARG  14  -9.337 -19.072  -1.873
  144    H    ASN  15           H        ASN  15  -9.867 -14.920 -10.541
  145    HA   ASN  15           HA       ASN  15 -12.806 -15.068 -10.535
  146    HB2  ASN  15          2HB       ASN  15 -11.936 -12.786 -10.502
  147    HB3  ASN  15          3HB       ASN  15 -10.965 -13.115 -11.934
  148   HD21  ASN  15          1HD2      ASN  15 -14.344 -13.622 -10.961
  149   HD22  ASN  15          2HD2      ASN  15 -15.033 -12.928 -12.385
  150    H    LEU  16           H        LEU  16 -10.128 -16.434 -11.941
  151    HA   LEU  16           HA       LEU  16 -11.622 -17.097 -14.394
  152    HB2  LEU  16          2HB       LEU  16  -8.713 -17.537 -14.374
  153    HB3  LEU  16          3HB       LEU  16  -9.760 -16.928 -15.653
  154    HG   LEU  16           HG       LEU  16  -8.748 -15.317 -13.310
  155   HD11  LEU  16          1HD1      LEU  16  -7.332 -14.200 -14.940
  156   HD12  LEU  16          2HD1      LEU  16  -7.916 -15.276 -16.208
  157   HD13  LEU  16          3HD1      LEU  16  -6.964 -15.924 -14.872
  158   HD21  LEU  16          1HD2      LEU  16 -10.590 -14.121 -13.835
  159   HD22  LEU  16          2HD2      LEU  16 -10.718 -14.818 -15.450
  160   HD23  LEU  16          3HD2      LEU  16  -9.561 -13.523 -15.138
  161    H    VAL  17           H        VAL  17 -10.357 -18.266 -11.504
  162    HA   VAL  17           HA       VAL  17 -11.230 -20.906 -11.970
  163    HB   VAL  17           HB       VAL  17  -9.155 -20.994 -13.330
  164   HG11  VAL  17          1HG1      VAL  17  -6.983 -20.972 -12.184
  165   HG12  VAL  17          2HG1      VAL  17  -7.804 -19.414 -12.068
  166   HG13  VAL  17          3HG1      VAL  17  -7.787 -20.509 -10.685
  167   HG21  VAL  17          1HG2      VAL  17  -8.141 -22.923 -11.733
  168   HG22  VAL  17          2HG2      VAL  17  -9.743 -22.727 -11.023
  169   HG23  VAL  17          3HG2      VAL  17  -9.579 -23.127 -12.733
  Start of MODEL    4
    1    H1   GLU   1           H        GLU   1   1.835  -0.362   0.632
    2    HA   GLU   1           HA       GLU   1   1.677   0.295  -2.237
    3    HB2  GLU   1          2HB       GLU   1   4.264   0.337  -1.994
    4    HB3  GLU   1          3HB       GLU   1   3.328   1.718  -1.440
    5    HG2  GLU   1          2HG       GLU   1   3.584   1.124   0.817
    6    HG3  GLU   1          3HG       GLU   1   4.152  -0.493   0.409
    7    H    PHE   2           H        PHE   2   2.287  -2.132   0.121
    8    HA   PHE   2           HA       PHE   2   3.296  -3.971  -1.938
    9    HB2  PHE   2          2HB       PHE   2   4.488  -3.561   0.352
   10    HB3  PHE   2          3HB       PHE   2   3.240  -4.628   0.987
   11    HD1  PHE   2           HD1      PHE   2   3.488  -6.933   0.860
   12    HD2  PHE   2           HD2      PHE   2   5.909  -4.429  -1.586
   13    HE1  PHE   2           HE1      PHE   2   4.809  -8.891   0.170
   14    HE2  PHE   2           HE2      PHE   2   7.234  -6.383  -2.281
   15    HZ   PHE   2           HZ       PHE   2   6.684  -8.617  -1.403
   16    H    LYS   3           H        LYS   3   0.438  -3.042  -1.052
   17    HA   LYS   3           HA       LYS   3  -0.707  -5.735  -0.737
   18    HB2  LYS   3          2HB       LYS   3  -2.815  -4.232  -0.194
   19    HB3  LYS   3          3HB       LYS   3  -1.605  -4.585   1.032
   20    HG2  LYS   3          2HG       LYS   3  -2.179  -2.254   1.115
   21    HG3  LYS   3          3HG       LYS   3  -0.518  -2.428   0.541
   22    HD2  LYS   3          2HD       LYS   3  -0.997  -1.532  -1.462
   23    HD3  LYS   3          3HD       LYS   3  -2.523  -2.410  -1.593
   24    HE2  LYS   3          2HE       LYS   3  -2.465  -0.271   0.427
   25    HE3  LYS   3          3HE       LYS   3  -2.320   0.269  -1.245
   26    HZ1  LYS   3          1HZ       LYS   3  -4.546   0.180  -1.178
   27    HZ2  LYS   3          2HZ       LYS   3  -4.588  -0.888   0.133
   28    HZ3  LYS   3          3HZ       LYS   3  -4.331  -1.479  -1.431
   29    H    ARG   4           H        ARG   4  -0.366  -3.100  -2.876
   30    HA   ARG   4           HA       ARG   4  -2.735  -3.594  -4.424
   31    HB2  ARG   4          2HB       ARG   4  -0.297  -2.094  -5.362
   32    HB3  ARG   4          3HB       ARG   4  -1.967  -1.888  -5.875
   33    HG2  ARG   4          2HG       ARG   4  -2.395  -1.198  -3.426
   34    HG3  ARG   4          3HG       ARG   4  -0.645  -0.986  -3.351
   35    HD2  ARG   4          2HD       ARG   4  -1.353   1.125  -3.958
   36    HD3  ARG   4          3HD       ARG   4  -0.989   0.400  -5.524
   37    HE   ARG   4           HE       ARG   4  -3.661  -0.109  -5.024
   38   HH11  ARG   4          1HH1      ARG   4  -1.614   2.677  -5.434
   39   HH12  ARG   4          2HH1      ARG   4  -2.875   3.669  -6.089
   40   HH21  ARG   4          1HH2      ARG   4  -5.329   1.187  -5.884
   41   HH22  ARG   4          2HH2      ARG   4  -4.988   2.821  -6.344
   42    H    ILE   5           H        ILE   5   0.583  -4.668  -4.453
   43    HA   ILE   5           HA       ILE   5   0.514  -5.771  -7.094
   44    HB   ILE   5           HB       ILE   5   2.581  -7.032  -6.264
   45   HG12  ILE   5          2HG1      ILE   5   2.421  -5.070  -3.980
   46   HG13  ILE   5          3HG1      ILE   5   1.863  -6.732  -3.827
   47   HG21  ILE   5          1HG2      ILE   5   2.515  -4.019  -6.207
   48   HG22  ILE   5          2HG2      ILE   5   3.972  -4.997  -6.369
   49   HG23  ILE   5          3HG2      ILE   5   2.737  -5.042  -7.626
   50   HD11  ILE   5          1HD1      ILE   5   4.405  -6.955  -4.906
   51   HD12  ILE   5          2HD1      ILE   5   4.536  -5.667  -3.709
   52   HD13  ILE   5          3HD1      ILE   5   3.929  -7.253  -3.235
   53    H    VAL   6           H        VAL   6  -0.092  -6.983  -3.850
   54    HA   VAL   6           HA       VAL   6  -0.378  -9.719  -4.746
   55    HB   VAL   6           HB       VAL   6  -1.150 -10.118  -2.382
   56   HG11  VAL   6          1HG1      VAL   6   1.455  -8.715  -2.182
   57   HG12  VAL   6          2HG1      VAL   6   0.997 -10.339  -1.663
   58   HG13  VAL   6          3HG1      VAL   6   1.317 -10.013  -3.367
   59   HG21  VAL   6          1HG2      VAL   6  -0.944  -8.391  -0.748
   60   HG22  VAL   6          2HG2      VAL   6  -0.280  -7.268  -1.934
   61   HG23  VAL   6          3HG2      VAL   6  -1.966  -7.774  -2.046
   62    H    GLN   7           H        GLN   7  -2.424  -6.978  -4.075
   63    HA   GLN   7           HA       GLN   7  -4.869  -8.478  -4.003
   64    HB2  GLN   7          2HB       GLN   7  -4.896  -6.441  -2.803
   65    HB3  GLN   7          3HB       GLN   7  -4.230  -5.540  -4.159
   66    HG2  GLN   7          2HG       GLN   7  -6.236  -5.357  -5.209
   67    HG3  GLN   7          3HG       GLN   7  -6.847  -6.873  -4.548
   68   HE21  GLN   7          1HE2      GLN   7  -5.877  -3.623  -3.518
   69   HE22  GLN   7          2HE2      GLN   7  -7.117  -3.442  -2.329
   70    H    ARG   8           H        ARG   8  -2.831  -7.295  -6.462
   71    HA   ARG   8           HA       ARG   8  -4.921  -7.126  -8.468
   72    HB2  ARG   8          2HB       ARG   8  -3.207  -5.527  -8.762
   73    HB3  ARG   8          3HB       ARG   8  -1.939  -6.721  -8.517
   74    HG2  ARG   8          2HG       ARG   8  -2.062  -7.498 -10.654
   75    HG3  ARG   8          3HG       ARG   8  -3.772  -7.097 -10.819
   76    HD2  ARG   8          2HD       ARG   8  -2.339  -5.669 -12.217
   77    HD3  ARG   8          3HD       ARG   8  -3.234  -4.744 -11.013
   78    HE   ARG   8           HE       ARG   8  -1.244  -4.107 -10.096
   79   HH11  ARG   8          1HH1      ARG   8  -0.716  -6.927 -12.068
   80   HH12  ARG   8          2HH1      ARG   8   1.007  -6.883 -11.898
   81   HH21  ARG   8          1HH2      ARG   8   1.024  -4.040  -9.864
   82   HH22  ARG   8          2HH2      ARG   8   1.996  -5.241 -10.643
   83    H    ILE   9           H        ILE   9  -2.858  -9.493  -7.152
   84    HA   ILE   9           HA       ILE   9  -3.076 -11.205  -9.522
   85    HB   ILE   9           HB       ILE   9  -1.570 -12.745  -8.157
   86   HG12  ILE   9          2HG1      ILE   9  -1.181 -10.215  -6.543
   87   HG13  ILE   9          3HG1      ILE   9  -2.041 -11.641  -5.974
   88   HG21  ILE   9          1HG2      ILE   9  -0.603 -10.028  -9.031
   89   HG22  ILE   9          2HG2      ILE   9   0.452 -11.396  -8.681
   90   HG23  ILE   9          3HG2      ILE   9  -0.704 -11.492 -10.009
   91   HD11  ILE   9          1HD1      ILE   9   0.283 -12.770  -6.678
   92   HD12  ILE   9          2HD1      ILE   9   0.846 -11.153  -6.252
   93   HD13  ILE   9          3HD1      ILE   9  -0.040 -12.118  -5.072
   94    H    LYS  10           H        LYS  10  -3.966 -11.032  -6.119
   95    HA   LYS  10           HA       LYS  10  -5.013 -13.605  -5.809
   96    HB2  LYS  10          2HB       LYS  10  -6.233 -12.713  -3.906
   97    HB3  LYS  10          3HB       LYS  10  -4.606 -12.047  -3.941
   98    HG2  LYS  10          2HG       LYS  10  -5.804 -10.164  -3.485
   99    HG3  LYS  10          3HG       LYS  10  -5.784 -10.095  -5.249
  100    HD2  LYS  10          2HD       LYS  10  -8.003 -10.274  -5.351
  101    HD3  LYS  10          3HD       LYS  10  -7.998 -11.685  -4.291
  102    HE2  LYS  10          2HE       LYS  10  -7.674  -8.901  -3.215
  103    HE3  LYS  10          3HE       LYS  10  -9.267  -9.596  -3.513
  104    HZ1  LYS  10          1HZ       LYS  10  -7.683 -11.434  -2.077
  105    HZ2  LYS  10          2HZ       LYS  10  -9.135 -10.700  -1.615
  106    HZ3  LYS  10          3HZ       LYS  10  -7.660  -9.943  -1.278
  107    H    ASP  11           H        ASP  11  -6.363 -10.730  -7.269
  108    HA   ASP  11           HA       ASP  11  -8.939 -12.076  -7.649
  109    HB2  ASP  11          2HB       ASP  11  -8.158  -9.354  -7.229
  110    HB3  ASP  11          3HB       ASP  11  -8.971  -9.476  -8.787
  111    H    PHE  12           H        PHE  12  -6.127 -12.159  -9.150
  112    HA   PHE  12           HA       PHE  12  -7.110 -11.735 -11.868
  113    HB2  PHE  12          2HB       PHE  12  -4.966 -10.823 -11.651
  114    HB3  PHE  12          3HB       PHE  12  -4.391 -12.167 -10.670
  115    HD1  PHE  12           HD1      PHE  12  -2.883 -13.562 -11.672
  116    HD2  PHE  12           HD2      PHE  12  -5.829 -11.651 -14.078
  117    HE1  PHE  12           HE1      PHE  12  -1.923 -14.615 -13.678
  118    HE2  PHE  12           HE2      PHE  12  -4.874 -12.702 -16.088
  119    HZ   PHE  12           HZ       PHE  12  -2.919 -14.186 -15.889
  120    H    LEU  13           H        LEU  13  -6.527 -14.251  -9.612
  121    HA   LEU  13           HA       LEU  13  -6.887 -16.261 -11.737
  122    HB2  LEU  13          2HB       LEU  13  -5.935 -17.736  -9.712
  123    HB3  LEU  13          3HB       LEU  13  -4.916 -16.993 -10.943
  124    HG   LEU  13           HG       LEU  13  -4.489 -15.108  -9.403
  125   HD11  LEU  13          1HD1      LEU  13  -5.152 -16.159  -6.921
  126   HD12  LEU  13          2HD1      LEU  13  -6.594 -16.403  -7.907
  127   HD13  LEU  13          3HD1      LEU  13  -5.912 -14.787  -7.727
  128   HD21  LEU  13          1HD2      LEU  13  -2.827 -16.778  -9.443
  129   HD22  LEU  13          2HD2      LEU  13  -3.821 -17.902  -8.515
  130   HD23  LEU  13          3HD2      LEU  13  -3.147 -16.469  -7.736
  131    H    ARG  14           H        ARG  14  -8.187 -14.843  -8.937
  132    HA   ARG  14           HA       ARG  14  -9.812 -17.114  -8.181
  133    HB2  ARG  14          2HB       ARG  14  -9.541 -14.291  -7.196
  134    HB3  ARG  14          3HB       ARG  14 -10.897 -15.288  -6.686
  135    HG2  ARG  14          2HG       ARG  14  -9.265 -16.977  -5.867
  136    HG3  ARG  14          3HG       ARG  14  -7.973 -15.836  -6.243
  137    HD2  ARG  14          2HD       ARG  14  -9.042 -14.196  -4.727
  138    HD3  ARG  14          3HD       ARG  14 -10.240 -15.417  -4.300
  139    HE   ARG  14           HE       ARG  14  -7.510 -15.264  -3.391
  140   HH11  ARG  14          1HH1      ARG  14 -10.280 -17.319  -3.866
  141   HH12  ARG  14          2HH1      ARG  14  -9.789 -18.476  -2.674
  142   HH21  ARG  14          1HH2      ARG  14  -6.853 -16.781  -1.819
  143   HH22  ARG  14          2HH2      ARG  14  -7.840 -18.169  -1.509
  144    H    ASN  15           H        ASN  15  -9.942 -14.876 -10.615
  145    HA   ASN  15           HA       ASN  15 -12.884 -14.868 -10.687
  146    HB2  ASN  15          2HB       ASN  15 -10.831 -12.918 -11.472
  147    HB3  ASN  15          3HB       ASN  15 -12.099 -13.144 -12.673
  148   HD21  ASN  15          1HD2      ASN  15 -13.098 -11.212 -12.412
  149   HD22  ASN  15          2HD2      ASN  15 -13.918 -10.741 -10.966
  150    H    LEU  16           H        LEU  16 -10.246 -16.439 -11.951
  151    HA   LEU  16           HA       LEU  16 -11.720 -17.157 -14.401
  152    HB2  LEU  16          2HB       LEU  16  -8.835 -17.719 -14.312
  153    HB3  LEU  16          3HB       LEU  16  -9.835 -17.117 -15.633
  154    HG   LEU  16           HG       LEU  16  -8.806 -15.447 -13.340
  155   HD11  LEU  16          1HD1      LEU  16  -7.262 -14.496 -14.946
  156   HD12  LEU  16          2HD1      LEU  16  -7.870 -15.572 -16.203
  157   HD13  LEU  16          3HD1      LEU  16  -7.008 -16.236 -14.816
  158   HD21  LEU  16          1HD2      LEU  16  -9.864 -14.356 -15.902
  159   HD22  LEU  16          2HD2      LEU  16  -9.821 -13.627 -14.297
  160   HD23  LEU  16          3HD2      LEU  16 -11.002 -14.885 -14.664
  161    H    VAL  17           H        VAL  17 -10.587 -18.227 -11.429
  162    HA   VAL  17           HA       VAL  17 -11.221 -20.984 -12.129
  163    HB   VAL  17           HB       VAL  17  -8.644 -20.279 -10.719
  164   HG11  VAL  17          1HG1      VAL  17  -8.385 -22.861 -11.364
  165   HG12  VAL  17          2HG1      VAL  17  -9.074 -22.320  -9.831
  166   HG13  VAL  17          3HG1      VAL  17 -10.135 -22.795 -11.158
  167   HG21  VAL  17          1HG2      VAL  17  -8.396 -19.755 -13.037
  168   HG22  VAL  17          2HG2      VAL  17  -7.581 -21.291 -12.745
  169   HG23  VAL  17          3HG2      VAL  17  -9.165 -21.267 -13.518
  Start of MODEL    5
    1    H1   GLU   1           H        GLU   1   1.882   0.166   0.785
    2    HA   GLU   1           HA       GLU   1   0.341   0.367  -1.701
    3    HB2  GLU   1          2HB       GLU   1   3.316   0.658  -1.584
    4    HB3  GLU   1          3HB       GLU   1   2.166   1.413  -2.678
    5    HG2  GLU   1          2HG       GLU   1   1.377   2.843  -0.862
    6    HG3  GLU   1          3HG       GLU   1   2.537   2.090   0.231
    7    H    PHE   2           H        PHE   2   2.013  -1.883   0.154
    8    HA   PHE   2           HA       PHE   2   2.828  -3.518  -2.121
    9    HB2  PHE   2          2HB       PHE   2   4.135  -3.151   0.136
   10    HB3  PHE   2          3HB       PHE   2   3.072  -4.428   0.719
   11    HD1  PHE   2           HD1      PHE   2   3.361  -6.689   0.033
   12    HD2  PHE   2           HD2      PHE   2   5.734  -3.595  -1.674
   13    HE1  PHE   2           HE1      PHE   2   4.857  -8.380  -0.944
   14    HE2  PHE   2           HE2      PHE   2   7.234  -5.282  -2.654
   15    HZ   PHE   2           HZ       PHE   2   6.796  -7.678  -2.291
   16    H    LYS   3           H        LYS   3  -0.007  -2.939  -0.814
   17    HA   LYS   3           HA       LYS   3  -0.880  -5.736  -0.629
   18    HB2  LYS   3          2HB       LYS   3  -3.022  -4.686   0.244
   19    HB3  LYS   3          3HB       LYS   3  -1.602  -4.522   1.269
   20    HG2  LYS   3          2HG       LYS   3  -1.908  -2.306  -0.588
   21    HG3  LYS   3          3HG       LYS   3  -3.289  -2.497   0.495
   22    HD2  LYS   3          2HD       LYS   3  -0.621  -2.716   1.740
   23    HD3  LYS   3          3HD       LYS   3  -1.066  -1.118   1.136
   24    HE2  LYS   3          2HE       LYS   3  -2.618  -0.813   2.734
   25    HE3  LYS   3          3HE       LYS   3  -3.176  -2.483   2.648
   26    HZ1  LYS   3          1HZ       LYS   3  -0.571  -2.365   3.753
   27    HZ2  LYS   3          2HZ       LYS   3  -1.990  -2.986   4.433
   28    HZ3  LYS   3          3HZ       LYS   3  -1.611  -1.348   4.617
   29    H    ARG   4           H        ARG   4  -1.134  -2.865  -2.550
   30    HA   ARG   4           HA       ARG   4  -3.457  -3.659  -4.019
   31    HB2  ARG   4          2HB       ARG   4  -2.752  -1.825  -5.581
   32    HB3  ARG   4          3HB       ARG   4  -2.963  -1.324  -3.909
   33    HG2  ARG   4          2HG       ARG   4  -0.717  -0.986  -3.580
   34    HG3  ARG   4          3HG       ARG   4  -0.252  -2.115  -4.855
   35    HD2  ARG   4          2HD       ARG   4  -1.308  -0.445  -6.473
   36    HD3  ARG   4          3HD       ARG   4  -1.294   0.689  -5.123
   37    HE   ARG   4           HE       ARG   4   1.261  -0.218  -5.225
   38   HH11  ARG   4          1HH1      ARG   4  -0.898   1.197  -7.561
   39   HH12  ARG   4          2HH1      ARG   4   0.371   1.940  -8.478
   40   HH21  ARG   4          1HH2      ARG   4   2.940   0.756  -6.423
   41   HH22  ARG   4          2HH2      ARG   4   2.554   1.688  -7.830
   42    H    ILE   5           H        ILE   5  -0.033  -4.205  -4.298
   43    HA   ILE   5           HA       ILE   5  -0.096  -5.086  -7.024
   44    HB   ILE   5           HB       ILE   5   2.192  -6.060  -6.412
   45   HG12  ILE   5          2HG1      ILE   5   1.874  -4.323  -3.967
   46   HG13  ILE   5          3HG1      ILE   5   1.595  -6.060  -3.924
   47   HG21  ILE   5          1HG2      ILE   5   1.967  -3.112  -5.897
   48   HG22  ILE   5          2HG2      ILE   5   3.237  -3.992  -6.747
   49   HG23  ILE   5          3HG2      ILE   5   1.646  -3.806  -7.486
   50   HD11  ILE   5          1HD1      ILE   5   3.756  -6.391  -3.626
   51   HD12  ILE   5          2HD1      ILE   5   4.097  -5.610  -5.171
   52   HD13  ILE   5          3HD1      ILE   5   4.036  -4.651  -3.692
   53    H    VAL   6           H        VAL   6  -0.286  -6.625  -3.868
   54    HA   VAL   6           HA       VAL   6  -0.218  -9.293  -4.991
   55    HB   VAL   6           HB       VAL   6  -0.720 -10.000  -2.628
   56   HG11  VAL   6          1HG1      VAL   6   1.643  -8.224  -2.452
   57   HG12  VAL   6          2HG1      VAL   6   1.487  -9.945  -2.096
   58   HG13  VAL   6          3HG1      VAL   6   1.615  -9.397  -3.768
   59   HG21  VAL   6          1HG2      VAL   6  -0.268  -7.093  -1.977
   60   HG22  VAL   6          2HG2      VAL   6  -1.859  -7.854  -2.018
   61   HG23  VAL   6          3HG2      VAL   6  -0.650  -8.400  -0.856
   62    H    GLN   7           H        GLN   7  -2.589  -6.961  -3.966
   63    HA   GLN   7           HA       GLN   7  -4.769  -8.824  -3.841
   64    HB2  GLN   7          2HB       GLN   7  -5.006  -6.902  -2.485
   65    HB3  GLN   7          3HB       GLN   7  -4.589  -5.819  -3.807
   66    HG2  GLN   7          2HG       GLN   7  -6.676  -5.874  -4.702
   67    HG3  GLN   7          3HG       GLN   7  -7.001  -7.508  -4.126
   68   HE21  GLN   7          1HE2      GLN   7  -8.295  -4.708  -3.907
   69   HE22  GLN   7          2HE2      GLN   7  -8.736  -4.617  -2.239
   70    H    ARG   8           H        ARG   8  -3.137  -7.166  -6.331
   71    HA   ARG   8           HA       ARG   8  -5.379  -7.184  -8.170
   72    HB2  ARG   8          2HB       ARG   8  -4.011  -6.012  -9.662
   73    HB3  ARG   8          3HB       ARG   8  -3.497  -5.430  -8.084
   74    HG2  ARG   8          2HG       ARG   8  -1.432  -5.869  -8.786
   75    HG3  ARG   8          3HG       ARG   8  -1.832  -7.563  -8.493
   76    HD2  ARG   8          2HD       ARG   8  -2.027  -8.039 -10.700
   77    HD3  ARG   8          3HD       ARG   8  -2.672  -6.446 -11.095
   78    HE   ARG   8           HE       ARG   8   0.088  -7.259 -11.123
   79   HH11  ARG   8          1HH1      ARG   8  -2.116  -4.574 -10.899
   80   HH12  ARG   8          2HH1      ARG   8  -0.963  -3.412 -11.466
   81   HH21  ARG   8          1HH2      ARG   8   1.615  -5.739 -11.872
   82   HH22  ARG   8          2HH2      ARG   8   1.159  -4.075 -12.021
   83    H    ILE   9           H        ILE   9  -2.822  -9.261  -7.235
   84    HA   ILE   9           HA       ILE   9  -2.998 -10.832  -9.697
   85    HB   ILE   9           HB       ILE   9  -1.194 -12.225  -8.551
   86   HG12  ILE   9          2HG1      ILE   9  -1.036  -9.784  -6.772
   87   HG13  ILE   9          3HG1      ILE   9  -1.679 -11.341  -6.263
   88   HG21  ILE   9          1HG2      ILE   9  -0.490  -9.345  -9.079
   89   HG22  ILE   9          2HG2      ILE   9   0.549 -10.756  -9.267
   90   HG23  ILE   9          3HG2      ILE   9  -0.828 -10.526 -10.344
   91   HD11  ILE   9          1HD1      ILE   9   0.470 -11.431  -5.471
   92   HD12  ILE   9          2HD1      ILE   9   0.640 -12.233  -7.033
   93   HD13  ILE   9          3HD1      ILE   9   1.131 -10.550  -6.848
   94    H    LYS  10           H        LYS  10  -3.666 -11.036  -6.245
   95    HA   LYS  10           HA       LYS  10  -4.307 -13.754  -6.086
   96    HB2  LYS  10          2HB       LYS  10  -5.496 -13.197  -4.044
   97    HB3  LYS  10          3HB       LYS  10  -3.995 -12.284  -4.126
   98    HG2  LYS  10          2HG       LYS  10  -5.428 -10.651  -3.443
   99    HG3  LYS  10          3HG       LYS  10  -5.548 -10.452  -5.192
  100    HD2  LYS  10          2HD       LYS  10  -7.719 -10.944  -5.161
  101    HD3  LYS  10          3HD       LYS  10  -7.422 -12.435  -4.264
  102    HE2  LYS  10          2HE       LYS  10  -7.321  -9.830  -2.817
  103    HE3  LYS  10          3HE       LYS  10  -8.892 -10.504  -3.248
  104    HZ1  LYS  10          1HZ       LYS  10  -8.671 -12.193  -1.786
  105    HZ2  LYS  10          2HZ       LYS  10  -7.647 -11.101  -0.999
  106    HZ3  LYS  10          3HZ       LYS  10  -6.995 -12.315  -1.980
  107    H    ASP  11           H        ASP  11  -6.163 -11.007  -7.203
  108    HA   ASP  11           HA       ASP  11  -8.546 -12.678  -7.529
  109    HB2  ASP  11          2HB       ASP  11  -8.164  -9.965  -6.869
  110    HB3  ASP  11          3HB       ASP  11  -8.882  -9.977  -8.477
  111    H    PHE  12           H        PHE  12  -5.860 -12.276  -9.208
  112    HA   PHE  12           HA       PHE  12  -7.078 -11.836 -11.824
  113    HB2  PHE  12          2HB       PHE  12  -5.056 -10.671 -11.685
  114    HB3  PHE  12          3HB       PHE  12  -4.251 -11.980 -10.826
  115    HD1  PHE  12           HD1      PHE  12  -2.646 -13.101 -12.004
  116    HD2  PHE  12           HD2      PHE  12  -5.976 -11.481 -14.101
  117    HE1  PHE  12           HE1      PHE  12  -1.699 -13.911 -14.125
  118    HE2  PHE  12           HE2      PHE  12  -5.035 -12.289 -16.226
  119    HZ   PHE  12           HZ       PHE  12  -2.894 -13.506 -16.240
  120    H    LEU  13           H        LEU  13  -6.027 -14.385  -9.783
  121    HA   LEU  13           HA       LEU  13  -6.277 -16.296 -12.012
  122    HB2  LEU  13          2HB       LEU  13  -5.011 -17.772 -10.198
  123    HB3  LEU  13          3HB       LEU  13  -4.163 -16.765 -11.370
  124    HG   LEU  13           HG       LEU  13  -3.971 -14.999  -9.631
  125   HD11  LEU  13          1HD1      LEU  13  -5.253 -17.123  -7.935
  126   HD12  LEU  13          2HD1      LEU  13  -5.770 -15.455  -8.176
  127   HD13  LEU  13          3HD1      LEU  13  -4.305 -15.799  -7.257
  128   HD21  LEU  13          1HD2      LEU  13  -1.985 -16.078  -9.716
  129   HD22  LEU  13          2HD2      LEU  13  -2.713 -17.669  -9.495
  130   HD23  LEU  13          3HD2      LEU  13  -2.468 -16.610  -8.105
  131    H    ARG  14           H        ARG  14  -7.533 -15.238  -9.030
  132    HA   ARG  14           HA       ARG  14  -8.797 -17.727  -8.307
  133    HB2  ARG  14          2HB       ARG  14  -8.257 -16.328  -6.480
  134    HB3  ARG  14          3HB       ARG  14  -8.963 -14.914  -7.250
  135    HG2  ARG  14          2HG       ARG  14 -11.083 -15.463  -6.640
  136    HG3  ARG  14          3HG       ARG  14 -10.758 -17.198  -6.664
  137    HD2  ARG  14          2HD       ARG  14 -10.804 -16.978  -4.423
  138    HD3  ARG  14          3HD       ARG  14  -9.144 -16.426  -4.644
  139    HE   ARG  14           HE       ARG  14  -9.802 -14.328  -4.015
  140   HH11  ARG  14          1HH1      ARG  14 -12.618 -16.197  -4.847
  141   HH12  ARG  14          2HH1      ARG  14 -13.739 -14.993  -4.303
  142   HH21  ARG  14          1HH2      ARG  14 -11.267 -12.735  -3.295
  143   HH22  ARG  14          2HH2      ARG  14 -12.969 -13.024  -3.421
  144    H    ASN  15           H        ASN  15  -9.480 -15.135 -10.412
  145    HA   ASN  15           HA       ASN  15 -12.356 -15.644 -10.405
  146    HB2  ASN  15          2HB       ASN  15 -10.596 -13.470 -11.374
  147    HB3  ASN  15          3HB       ASN  15 -12.017 -13.802 -12.360
  148   HD21  ASN  15          1HD2      ASN  15 -13.019 -11.884 -11.858
  149   HD22  ASN  15          2HD2      ASN  15 -13.675 -11.551 -10.295
  150    H    LEU  16           H        LEU  16  -9.632 -16.842 -11.894
  151    HA   LEU  16           HA       LEU  16 -11.179 -17.705 -14.249
  152    HB2  LEU  16          2HB       LEU  16  -8.245 -17.888 -14.371
  153    HB3  LEU  16          3HB       LEU  16  -9.406 -17.412 -15.609
  154    HG   LEU  16           HG       LEU  16  -8.448 -15.641 -13.360
  155   HD11  LEU  16          1HD1      LEU  16  -7.171 -14.473 -15.065
  156   HD12  LEU  16          2HD1      LEU  16  -7.700 -15.635 -16.281
  157   HD13  LEU  16          3HD1      LEU  16  -6.662 -16.158 -14.955
  158   HD21  LEU  16          1HD2      LEU  16  -9.832 -14.697 -15.829
  159   HD22  LEU  16          2HD2      LEU  16  -9.745 -13.954 -14.232
  160   HD23  LEU  16          3HD2      LEU  16 -10.785 -15.353 -14.498
  161    H    VAL  17           H        VAL  17  -9.689 -18.668 -11.396
  162    HA   VAL  17           HA       VAL  17  -9.123 -20.681 -10.482
  163    HB   VAL  17           HB       VAL  17 -11.169 -21.667 -12.474
  164   HG11  VAL  17          1HG1      VAL  17 -11.303 -23.360 -10.356
  165   HG12  VAL  17          2HG1      VAL  17 -10.400 -23.681 -11.838
  166   HG13  VAL  17          3HG1      VAL  17  -9.572 -23.030 -10.423
  167   HG21  VAL  17          1HG2      VAL  17 -11.507 -19.940 -10.346
  168   HG22  VAL  17          2HG2      VAL  17 -12.769 -20.898 -11.120
  169   HG23  VAL  17          3HG2      VAL  17 -11.954 -21.511  -9.681
  Start of MODEL    6
    1    H1   GLU   1           H        GLU   1   0.746   0.275   0.545
    2    HA   GLU   1           HA       GLU   1   1.343   0.109  -1.656
    3    HB2  GLU   1          2HB       GLU   1   4.204  -0.077  -0.828
    4    HB3  GLU   1          3HB       GLU   1   3.466   0.905  -2.085
    5    HG2  GLU   1          2HG       GLU   1   2.502   2.364  -0.374
    6    HG3  GLU   1          3HG       GLU   1   3.264   1.386   0.879
    7    H    PHE   2           H        PHE   2   1.974  -2.404   0.422
    8    HA   PHE   2           HA       PHE   2   3.038  -4.137  -1.699
    9    HB2  PHE   2          2HB       PHE   2   4.056  -3.923   0.720
   10    HB3  PHE   2          3HB       PHE   2   2.758  -5.035   1.142
   11    HD1  PHE   2           HD1      PHE   2   2.772  -7.315   0.373
   12    HD2  PHE   2           HD2      PHE   2   5.870  -4.614  -0.736
   13    HE1  PHE   2           HE1      PHE   2   4.143  -9.208  -0.396
   14    HE2  PHE   2           HE2      PHE   2   7.245  -6.502  -1.507
   15    HZ   PHE   2           HZ       PHE   2   6.382  -8.803  -1.338
   16    H    LYS   3           H        LYS   3   0.153  -3.163  -0.794
   17    HA   LYS   3           HA       LYS   3  -1.109  -5.813  -0.748
   18    HB2  LYS   3          2HB       LYS   3  -3.188  -4.478  -0.180
   19    HB3  LYS   3          3HB       LYS   3  -1.913  -4.468   1.031
   20    HG2  LYS   3          2HG       LYS   3  -1.737  -2.278  -0.897
   21    HG3  LYS   3          3HG       LYS   3  -3.204  -2.267   0.085
   22    HD2  LYS   3          2HD       LYS   3  -0.854  -2.853   1.674
   23    HD3  LYS   3          3HD       LYS   3  -0.697  -1.316   0.820
   24    HE2  LYS   3          2HE       LYS   3  -3.223  -1.964   2.281
   25    HE3  LYS   3          3HE       LYS   3  -1.814  -1.395   3.175
   26    HZ1  LYS   3          1HZ       LYS   3  -3.669   0.120   1.743
   27    HZ2  LYS   3          2HZ       LYS   3  -2.188   0.254   0.937
   28    HZ3  LYS   3          3HZ       LYS   3  -2.300   0.664   2.574
   29    H    ARG   4           H        ARG   4  -0.730  -2.942  -2.663
   30    HA   ARG   4           HA       ARG   4  -2.896  -3.449  -4.454
   31    HB2  ARG   4          2HB       ARG   4  -1.730  -1.755  -5.898
   32    HB3  ARG   4          3HB       ARG   4  -2.111  -1.201  -4.273
   33    HG2  ARG   4          2HG       ARG   4   0.040  -0.911  -3.735
   34    HG3  ARG   4          3HG       ARG   4   0.544  -2.400  -4.538
   35    HD2  ARG   4          2HD       ARG   4   1.186  -1.298  -6.366
   36    HD3  ARG   4          3HD       ARG   4  -0.328  -0.398  -6.438
   37    HE   ARG   4           HE       ARG   4   2.172   0.507  -5.362
   38   HH11  ARG   4          1HH1      ARG   4  -1.288   0.870  -5.221
   39   HH12  ARG   4          2HH1      ARG   4  -1.223   2.493  -4.616
   40   HH21  ARG   4          1HH2      ARG   4   2.270   2.642  -4.566
   41   HH22  ARG   4          2HH2      ARG   4   0.801   3.500  -4.245
   42    H    ILE   5           H        ILE   5   0.433  -4.447  -4.256
   43    HA   ILE   5           HA       ILE   5   0.637  -5.356  -6.963
   44    HB   ILE   5           HB       ILE   5   2.650  -6.636  -6.031
   45   HG12  ILE   5          2HG1      ILE   5   2.234  -4.838  -3.647
   46   HG13  ILE   5          3HG1      ILE   5   1.700  -6.515  -3.657
   47   HG21  ILE   5          1HG2      ILE   5   2.924  -3.729  -5.447
   48   HG22  ILE   5          2HG2      ILE   5   3.982  -4.802  -6.362
   49   HG23  ILE   5          3HG2      ILE   5   2.473  -4.233  -7.076
   50   HD11  ILE   5          1HD1      ILE   5   4.239  -5.500  -3.014
   51   HD12  ILE   5          2HD1      ILE   5   3.728  -7.186  -3.102
   52   HD13  ILE   5          3HD1      ILE   5   4.412  -6.397  -4.522
   53    H    VAL   6           H        VAL   6  -0.233  -6.810  -3.883
   54    HA   VAL   6           HA       VAL   6  -0.388  -9.474  -5.016
   55    HB   VAL   6           HB       VAL   6  -1.297 -10.084  -2.749
   56   HG11  VAL   6          1HG1      VAL   6   1.229  -9.840  -3.562
   57   HG12  VAL   6          2HG1      VAL   6   1.255  -8.667  -2.243
   58   HG13  VAL   6          3HG1      VAL   6   0.804 -10.343  -1.927
   59   HG21  VAL   6          1HG2      VAL   6  -1.217  -8.495  -0.962
   60   HG22  VAL   6          2HG2      VAL   6  -0.528  -7.262  -2.018
   61   HG23  VAL   6          3HG2      VAL   6  -2.189  -7.801  -2.260
   62    H    GLN   7           H        GLN   7  -2.525  -6.830  -4.229
   63    HA   GLN   7           HA       GLN   7  -4.950  -8.327  -4.390
   64    HB2  GLN   7          2HB       GLN   7  -5.072  -6.323  -3.152
   65    HB3  GLN   7          3HB       GLN   7  -4.308  -5.388  -4.430
   66    HG2  GLN   7          2HG       GLN   7  -6.233  -5.170  -5.619
   67    HG3  GLN   7          3HG       GLN   7  -6.894  -6.699  -5.041
   68   HE21  GLN   7          1HE2      GLN   7  -8.406  -4.392  -5.162
   69   HE22  GLN   7          2HE2      GLN   7  -8.791  -3.880  -3.558
   70    H    ARG   8           H        ARG   8  -2.793  -7.025  -6.701
   71    HA   ARG   8           HA       ARG   8  -4.747  -6.799  -8.818
   72    HB2  ARG   8          2HB       ARG   8  -2.962  -5.260  -8.980
   73    HB3  ARG   8          3HB       ARG   8  -1.755  -6.507  -8.694
   74    HG2  ARG   8          2HG       ARG   8  -1.772  -7.219 -10.851
   75    HG3  ARG   8          3HG       ARG   8  -3.465  -6.785 -11.097
   76    HD2  ARG   8          2HD       ARG   8  -1.557  -4.571 -10.617
   77    HD3  ARG   8          3HD       ARG   8  -1.443  -5.406 -12.166
   78    HE   ARG   8           HE       ARG   8  -3.485  -3.594 -11.343
   79   HH11  ARG   8          1HH1      ARG   8  -2.853  -6.404 -13.299
   80   HH12  ARG   8          2HH1      ARG   8  -4.157  -6.094 -14.397
   81   HH21  ARG   8          1HH2      ARG   8  -5.204  -3.175 -12.782
   82   HH22  ARG   8          2HH2      ARG   8  -5.493  -4.257 -14.103
   83    H    ILE   9           H        ILE   9  -2.819  -9.258  -7.452
   84    HA   ILE   9           HA       ILE   9  -3.126 -10.941  -9.845
   85    HB   ILE   9           HB       ILE   9  -1.514 -12.475  -8.529
   86   HG12  ILE   9          2HG1      ILE   9  -0.987  -9.829  -7.158
   87   HG13  ILE   9          3HG1      ILE   9  -1.691 -11.250  -6.395
   88   HG21  ILE   9          1HG2      ILE   9  -0.564  -9.845  -9.659
   89   HG22  ILE   9          2HG2      ILE   9   0.427 -11.286  -9.437
   90   HG23  ILE   9          3HG2      ILE   9  -0.918 -11.308 -10.579
   91   HD11  ILE   9          1HD1      ILE   9   1.062 -10.569  -6.790
   92   HD12  ILE   9          2HD1      ILE   9   0.353 -11.871  -5.835
   93   HD13  ILE   9          3HD1      ILE   9   0.700 -12.120  -7.545
   94    H    LYS  10           H        LYS  10  -3.799 -10.720  -6.408
   95    HA   LYS  10           HA       LYS  10  -4.726 -13.301  -5.924
   96    HB2  LYS  10          2HB       LYS  10  -4.463 -11.975  -4.022
   97    HB3  LYS  10          3HB       LYS  10  -5.346 -10.624  -4.722
   98    HG2  LYS  10          2HG       LYS  10  -6.855 -13.131  -4.287
   99    HG3  LYS  10          3HG       LYS  10  -6.377 -12.215  -2.856
  100    HD2  LYS  10          2HD       LYS  10  -7.403 -10.415  -4.827
  101    HD3  LYS  10          3HD       LYS  10  -8.553 -11.733  -4.589
  102    HE2  LYS  10          2HE       LYS  10  -7.368 -10.556  -2.150
  103    HE3  LYS  10          3HE       LYS  10  -8.483  -9.532  -3.053
  104    HZ1  LYS  10          1HZ       LYS  10 -10.236 -10.905  -2.632
  105    HZ2  LYS  10          2HZ       LYS  10  -9.341 -11.162  -1.219
  106    HZ3  LYS  10          3HZ       LYS  10  -9.280 -12.293  -2.476
  107    H    ASP  11           H        ASP  11  -6.187 -10.675  -7.651
  108    HA   ASP  11           HA       ASP  11  -8.729 -12.142  -7.815
  109    HB2  ASP  11          2HB       ASP  11  -8.076  -9.352  -7.612
  110    HB3  ASP  11          3HB       ASP  11  -8.960  -9.638  -9.109
  111    H    PHE  12           H        PHE  12  -5.948 -12.146  -9.388
  112    HA   PHE  12           HA       PHE  12  -7.022 -11.959 -12.097
  113    HB2  PHE  12          2HB       PHE  12  -4.923 -10.902 -11.946
  114    HB3  PHE  12          3HB       PHE  12  -4.242 -12.202 -10.972
  115    HD1  PHE  12           HD1      PHE  12  -2.700 -13.522 -12.021
  116    HD2  PHE  12           HD2      PHE  12  -5.853 -11.822 -14.321
  117    HE1  PHE  12           HE1      PHE  12  -1.772 -14.557 -14.051
  118    HE2  PHE  12           HE2      PHE  12  -4.931 -12.856 -16.355
  119    HZ   PHE  12           HZ       PHE  12  -2.889 -14.226 -16.222
  120    H    LEU  13           H        LEU  13  -6.301 -14.285  -9.701
  121    HA   LEU  13           HA       LEU  13  -6.512 -16.448 -11.692
  122    HB2  LEU  13          2HB       LEU  13  -5.525 -17.781  -9.641
  123    HB3  LEU  13          3HB       LEU  13  -4.490 -16.920 -10.779
  124    HG   LEU  13           HG       LEU  13  -4.371 -15.033  -9.180
  125   HD11  LEU  13          1HD1      LEU  13  -5.041 -15.925  -6.758
  126   HD12  LEU  13          2HD1      LEU  13  -6.267 -16.762  -7.709
  127   HD13  LEU  13          3HD1      LEU  13  -6.148 -15.004  -7.777
  128   HD21  LEU  13          1HD2      LEU  13  -2.995 -16.270  -7.466
  129   HD22  LEU  13          2HD2      LEU  13  -2.557 -16.555  -9.151
  130   HD23  LEU  13          3HD2      LEU  13  -3.491 -17.762  -8.265
  131    H    ARG  14           H        ARG  14  -7.914 -14.950  -8.959
  132    HA   ARG  14           HA       ARG  14  -9.473 -17.244  -8.145
  133    HB2  ARG  14          2HB       ARG  14  -9.150 -14.435  -7.224
  134    HB3  ARG  14          3HB       ARG  14 -10.668 -15.238  -6.847
  135    HG2  ARG  14          2HG       ARG  14  -9.386 -17.069  -5.786
  136    HG3  ARG  14          3HG       ARG  14  -7.907 -16.151  -6.076
  137    HD2  ARG  14          2HD       ARG  14  -8.294 -15.332  -4.019
  138    HD3  ARG  14          3HD       ARG  14  -9.435 -14.280  -4.855
  139    HE   ARG  14           HE       ARG  14 -10.884 -16.511  -4.258
  140   HH11  ARG  14          1HH1      ARG  14  -8.973 -14.259  -2.415
  141   HH12  ARG  14          2HH1      ARG  14  -9.914 -14.441  -0.972
  142   HH21  ARG  14          1HH2      ARG  14 -12.131 -16.758  -2.364
  143   HH22  ARG  14          2HH2      ARG  14 -11.709 -15.863  -0.943
  144    H    ASN  15           H        ASN  15  -9.647 -15.095 -10.663
  145    HA   ASN  15           HA       ASN  15 -12.584 -15.191 -10.780
  146    HB2  ASN  15          2HB       ASN  15 -10.541 -13.333 -11.945
  147    HB3  ASN  15          3HB       ASN  15 -12.107 -13.503 -12.733
  148   HD21  ASN  15          1HD2      ASN  15 -13.951 -13.522 -10.966
  149   HD22  ASN  15          2HD2      ASN  15 -13.887 -12.179  -9.881
  150    H    LEU  16           H        LEU  16  -9.880 -16.744 -11.937
  151    HA   LEU  16           HA       LEU  16 -11.312 -17.645 -14.351
  152    HB2  LEU  16          2HB       LEU  16  -8.409 -18.099 -14.220
  153    HB3  LEU  16          3HB       LEU  16  -9.421 -17.604 -15.575
  154    HG   LEU  16           HG       LEU  16  -8.447 -15.785 -13.373
  155   HD11  LEU  16          1HD1      LEU  16  -6.644 -16.585 -14.847
  156   HD12  LEU  16          2HD1      LEU  16  -6.951 -14.859 -15.029
  157   HD13  LEU  16          3HD1      LEU  16  -7.545 -15.992 -16.242
  158   HD21  LEU  16          1HD2      LEU  16 -10.366 -15.482 -15.587
  159   HD22  LEU  16          2HD2      LEU  16  -9.188 -14.181 -15.410
  160   HD23  LEU  16          3HD2      LEU  16 -10.242 -14.608 -14.061
  161    H    VAL  17           H        VAL  17 -10.156 -18.510 -11.320
  162    HA   VAL  17           HA       VAL  17 -10.676 -21.326 -11.879
  163    HB   VAL  17           HB       VAL  17  -8.170 -20.462 -10.433
  164   HG11  VAL  17          1HG1      VAL  17  -7.890 -23.091 -11.152
  165   HG12  VAL  17          2HG1      VAL  17  -8.363 -22.511  -9.554
  166   HG13  VAL  17          3HG1      VAL  17  -9.596 -22.993 -10.720
  167   HG21  VAL  17          1HG2      VAL  17  -6.994 -21.448 -12.403
  168   HG22  VAL  17          2HG2      VAL  17  -8.551 -21.527 -13.228
  169   HG23  VAL  17          3HG2      VAL  17  -7.880 -19.965 -12.758
  Start of MODEL    7
    1    H1   GLU   1           H        GLU   1   1.924   0.085   1.061
    2    HA   GLU   1           HA       GLU   1   0.649   0.250  -1.561
    3    HB2  GLU   1          2HB       GLU   1   3.614   0.309  -1.166
    4    HB3  GLU   1          3HB       GLU   1   2.636   1.125  -2.377
    5    HG2  GLU   1          2HG       GLU   1   1.800   2.659  -0.670
    6    HG3  GLU   1          3HG       GLU   1   2.789   1.845   0.541
    7    H    PHE   2           H        PHE   2   1.941  -2.073   0.492
    8    HA   PHE   2           HA       PHE   2   2.874  -3.824  -1.640
    9    HB2  PHE   2          2HB       PHE   2   3.896  -3.528   0.769
   10    HB3  PHE   2          3HB       PHE   2   2.655  -4.695   1.215
   11    HD1  PHE   2           HD1      PHE   2   2.878  -6.985   0.685
   12    HD2  PHE   2           HD2      PHE   2   5.628  -4.148  -0.897
   13    HE1  PHE   2           HE1      PHE   2   4.333  -8.821  -0.067
   14    HE2  PHE   2           HE2      PHE   2   7.087  -5.979  -1.653
   15    HZ   PHE   2           HZ       PHE   2   6.441  -8.319  -1.239
   16    H    LYS   3           H        LYS   3  -0.048  -2.975  -0.731
   17    HA   LYS   3           HA       LYS   3  -1.183  -5.681  -0.641
   18    HB2  LYS   3          2HB       LYS   3  -3.320  -4.432  -0.075
   19    HB3  LYS   3          3HB       LYS   3  -2.040  -4.367   1.131
   20    HG2  LYS   3          2HG       LYS   3  -1.955  -2.178  -0.802
   21    HG3  LYS   3          3HG       LYS   3  -3.423  -2.222   0.177
   22    HD2  LYS   3          2HD       LYS   3  -1.608  -2.644   2.100
   23    HD3  LYS   3          3HD       LYS   3  -0.616  -1.715   0.973
   24    HE2  LYS   3          2HE       LYS   3  -1.990   0.159   1.120
   25    HE3  LYS   3          3HE       LYS   3  -3.352  -0.769   1.746
   26    HZ1  LYS   3          1HZ       LYS   3  -1.954   0.713   3.328
   27    HZ2  LYS   3          2HZ       LYS   3  -0.880  -0.594   3.327
   28    HZ3  LYS   3          3HZ       LYS   3  -2.475  -0.810   3.850
   29    H    ARG   4           H        ARG   4  -0.929  -2.833  -2.601
   30    HA   ARG   4           HA       ARG   4  -3.095  -3.443  -4.361
   31    HB2  ARG   4          2HB       ARG   4  -2.351  -1.614  -5.672
   32    HB3  ARG   4          3HB       ARG   4  -2.056  -1.161  -3.999
   33    HG2  ARG   4          2HG       ARG   4   0.321  -2.006  -4.367
   34    HG3  ARG   4          3HG       ARG   4  -0.073  -1.990  -6.087
   35    HD2  ARG   4          2HD       ARG   4  -0.439   0.343  -6.080
   36    HD3  ARG   4          3HD       ARG   4  -0.468   0.408  -4.318
   37    HE   ARG   4           HE       ARG   4   1.819   0.516  -4.318
   38   HH11  ARG   4          1HH1      ARG   4   0.722  -0.525  -7.455
   39   HH12  ARG   4          2HH1      ARG   4   2.291  -0.416  -8.183
   40   HH21  ARG   4          1HH2      ARG   4   3.888   0.663  -5.266
   41   HH22  ARG   4          2HH2      ARG   4   4.091   0.259  -6.937
   42    H    ILE   5           H        ILE   5   0.282  -4.292  -4.198
   43    HA   ILE   5           HA       ILE   5   0.486  -5.243  -6.888
   44    HB   ILE   5           HB       ILE   5   2.559  -6.427  -5.961
   45   HG12  ILE   5          2HG1      ILE   5   2.101  -4.610  -3.599
   46   HG13  ILE   5          3HG1      ILE   5   1.634  -6.307  -3.577
   47   HG21  ILE   5          1HG2      ILE   5   2.102  -3.849  -6.821
   48   HG22  ILE   5          2HG2      ILE   5   3.030  -3.628  -5.338
   49   HG23  ILE   5          3HG2      ILE   5   3.677  -4.621  -6.643
   50   HD11  ILE   5          1HD1      ILE   5   4.290  -6.233  -4.472
   51   HD12  ILE   5          2HD1      ILE   5   4.187  -5.129  -3.100
   52   HD13  ILE   5          3HD1      ILE   5   3.680  -6.808  -2.921
   53    H    VAL   6           H        VAL   6  -0.278  -6.685  -3.772
   54    HA   VAL   6           HA       VAL   6  -0.338  -9.370  -4.856
   55    HB   VAL   6           HB       VAL   6  -1.207  -9.976  -2.575
   56   HG11  VAL   6          1HG1      VAL   6   0.906 -10.145  -1.780
   57   HG12  VAL   6          2HG1      VAL   6   1.311  -9.594  -3.407
   58   HG13  VAL   6          3HG1      VAL   6   1.268  -8.444  -2.070
   59   HG21  VAL   6          1HG2      VAL   6  -1.200  -8.353  -0.819
   60   HG22  VAL   6          2HG2      VAL   6  -0.567  -7.110  -1.897
   61   HG23  VAL   6          3HG2      VAL   6  -2.203  -7.727  -2.128
   62    H    GLN   7           H        GLN   7  -2.580  -6.801  -4.116
   63    HA   GLN   7           HA       GLN   7  -4.938  -8.408  -4.246
   64    HB2  GLN   7          2HB       GLN   7  -5.149  -6.405  -3.021
   65    HB3  GLN   7          3HB       GLN   7  -4.425  -5.445  -4.305
   66    HG2  GLN   7          2HG       GLN   7  -6.357  -5.321  -5.498
   67    HG3  GLN   7          3HG       GLN   7  -6.955  -6.869  -4.903
   68   HE21  GLN   7          1HE2      GLN   7  -8.830  -6.473  -3.959
   69   HE22  GLN   7          2HE2      GLN   7  -9.129  -5.245  -2.781
   70    H    ARG   8           H        ARG   8  -2.848  -7.029  -6.572
   71    HA   ARG   8           HA       ARG   8  -4.822  -6.919  -8.685
   72    HB2  ARG   8          2HB       ARG   8  -3.152  -5.278  -8.894
   73    HB3  ARG   8          3HB       ARG   8  -1.862  -6.421  -8.545
   74    HG2  ARG   8          2HG       ARG   8  -1.856  -5.789 -10.887
   75    HG3  ARG   8          3HG       ARG   8  -2.229  -7.504 -10.701
   76    HD2  ARG   8          2HD       ARG   8  -4.079  -7.198 -11.889
   77    HD3  ARG   8          3HD       ARG   8  -4.685  -6.128 -10.625
   78    HE   ARG   8           HE       ARG   8  -2.899  -4.824 -12.451
   79   HH11  ARG   8          1HH1      ARG   8  -6.194  -5.808 -11.904
   80   HH12  ARG   8          2HH1      ARG   8  -6.866  -4.597 -12.944
   81   HH21  ARG   8          1HH2      ARG   8  -3.772  -3.225 -13.824
   82   HH22  ARG   8          2HH2      ARG   8  -5.488  -3.129 -14.037
   83    H    ILE   9           H        ILE   9  -2.712  -9.240  -7.325
   84    HA   ILE   9           HA       ILE   9  -2.884 -10.943  -9.713
   85    HB   ILE   9           HB       ILE   9  -1.251 -12.403  -8.383
   86   HG12  ILE   9          2HG1      ILE   9  -0.920  -9.815  -6.850
   87   HG13  ILE   9          3HG1      ILE   9  -1.660 -11.277  -6.206
   88   HG21  ILE   9          1HG2      ILE   9  -0.507  -9.678  -9.422
   89   HG22  ILE   9          2HG2      ILE   9   0.677 -10.916  -9.006
   90   HG23  ILE   9          3HG2      ILE   9  -0.492 -11.211 -10.293
   91   HD11  ILE   9          1HD1      ILE   9   0.912 -11.904  -7.279
   92   HD12  ILE   9          2HD1      ILE   9   1.043 -10.547  -6.160
   93   HD13  ILE   9          3HD1      ILE   9   0.319 -12.064  -5.626
   94    H    LYS  10           H        LYS  10  -3.656 -10.814  -6.280
   95    HA   LYS  10           HA       LYS  10  -4.531 -13.437  -5.911
   96    HB2  LYS  10          2HB       LYS  10  -4.304 -12.188  -3.952
   97    HB3  LYS  10          3HB       LYS  10  -5.208 -10.826  -4.599
   98    HG2  LYS  10          2HG       LYS  10  -6.673 -13.376  -4.285
   99    HG3  LYS  10          3HG       LYS  10  -6.219 -12.518  -2.811
  100    HD2  LYS  10          2HD       LYS  10  -7.261 -10.640  -4.691
  101    HD3  LYS  10          3HD       LYS  10  -8.388 -11.992  -4.550
  102    HE2  LYS  10          2HE       LYS  10  -7.233 -10.784  -2.078
  103    HE3  LYS  10          3HE       LYS  10  -8.537  -9.946  -2.917
  104    HZ1  LYS  10          1HZ       LYS  10  -9.720 -11.259  -1.502
  105    HZ2  LYS  10          2HZ       LYS  10  -8.584 -12.511  -1.504
  106    HZ3  LYS  10          3HZ       LYS  10  -9.621 -12.309  -2.824
  107    H    ASP  11           H        ASP  11  -6.015 -10.772  -7.549
  108    HA   ASP  11           HA       ASP  11  -8.551 -12.237  -7.761
  109    HB2  ASP  11          2HB       ASP  11  -7.840  -9.422  -7.650
  110    HB3  ASP  11          3HB       ASP  11  -8.860  -9.778  -9.042
  111    H    PHE  12           H        PHE  12  -5.697 -11.840  -9.398
  112    HA   PHE  12           HA       PHE  12  -6.710 -11.694 -12.079
  113    HB2  PHE  12          2HB       PHE  12  -4.549 -10.851 -11.923
  114    HB3  PHE  12          3HB       PHE  12  -4.016 -12.137 -10.846
  115    HD1  PHE  12           HD1      PHE  12  -5.308 -11.724 -14.322
  116    HD2  PHE  12           HD2      PHE  12  -2.607 -13.723 -11.710
  117    HE1  PHE  12           HE1      PHE  12  -4.346 -12.926 -16.242
  118    HE2  PHE  12           HE2      PHE  12  -1.640 -14.927 -13.625
  119    HZ   PHE  12           HZ       PHE  12  -2.509 -14.529 -15.895
  120    H    LEU  13           H        LEU  13  -6.212 -14.184  -9.775
  121    HA   LEU  13           HA       LEU  13  -6.614 -16.222 -11.865
  122    HB2  LEU  13          2HB       LEU  13  -5.322 -17.738 -10.694
  123    HB3  LEU  13          3HB       LEU  13  -4.455 -16.221 -10.463
  124    HG   LEU  13           HG       LEU  13  -6.092 -16.300  -8.266
  125   HD11  LEU  13          1HD1      LEU  13  -5.010 -18.944  -7.936
  126   HD12  LEU  13          2HD1      LEU  13  -6.143 -18.898  -9.286
  127   HD13  LEU  13          3HD1      LEU  13  -6.658 -18.364  -7.686
  128   HD21  LEU  13          1HD2      LEU  13  -3.273 -17.319  -8.593
  129   HD22  LEU  13          2HD2      LEU  13  -4.033 -16.931  -7.049
  130   HD23  LEU  13          3HD2      LEU  13  -3.766 -15.662  -8.246
  131    H    ARG  14           H        ARG  14  -7.765 -14.833  -8.926
  132    HA   ARG  14           HA       ARG  14  -9.490 -16.990  -8.178
  133    HB2  ARG  14          2HB       ARG  14  -9.099 -14.162  -7.299
  134    HB3  ARG  14          3HB       ARG  14 -10.587 -14.985  -6.849
  135    HG2  ARG  14          2HG       ARG  14  -8.093 -16.471  -6.350
  136    HG3  ARG  14          3HG       ARG  14  -8.351 -15.027  -5.370
  137    HD2  ARG  14          2HD       ARG  14 -10.536 -17.043  -5.707
  138    HD3  ARG  14          3HD       ARG  14  -9.246 -17.315  -4.536
  139    HE   ARG  14           HE       ARG  14 -11.394 -15.407  -4.346
  140   HH11  ARG  14          1HH1      ARG  14  -8.193 -16.254  -3.272
  141   HH12  ARG  14          2HH1      ARG  14  -8.306 -15.349  -1.799
  142   HH21  ARG  14          1HH2      ARG  14 -11.555 -14.212  -2.410
  143   HH22  ARG  14          2HH2      ARG  14 -10.219 -14.188  -1.309
  144    H    ASN  15           H        ASN  15  -9.585 -14.827 -10.697
  145    HA   ASN  15           HA       ASN  15 -12.523 -14.810 -10.804
  146    HB2  ASN  15          2HB       ASN  15 -10.415 -12.979 -11.817
  147    HB3  ASN  15          3HB       ASN  15 -11.845 -13.175 -12.827
  148   HD21  ASN  15          1HD2      ASN  15 -11.952 -10.830 -12.268
  149   HD22  ASN  15          2HD2      ASN  15 -12.830 -10.395 -10.845
  150    H    LEU  16           H        LEU  16  -9.899 -16.481 -11.962
  151    HA   LEU  16           HA       LEU  16 -11.359 -17.300 -14.388
  152    HB2  LEU  16          2HB       LEU  16  -8.484 -17.907 -14.220
  153    HB3  LEU  16          3HB       LEU  16  -9.454 -17.376 -15.592
  154    HG   LEU  16           HG       LEU  16  -8.439 -15.578 -13.391
  155   HD11  LEU  16          1HD1      LEU  16  -6.876 -14.738 -15.065
  156   HD12  LEU  16          2HD1      LEU  16  -7.448 -15.945 -16.215
  157   HD13  LEU  16          3HD1      LEU  16  -6.611 -16.452 -14.748
  158   HD21  LEU  16          1HD2      LEU  16 -10.602 -15.051 -14.750
  159   HD22  LEU  16          2HD2      LEU  16  -9.466 -14.670 -16.044
  160   HD23  LEU  16          3HD2      LEU  16  -9.382 -13.800 -14.512
  161    H    VAL  17           H        VAL  17 -10.265 -18.238 -11.351
  162    HA   VAL  17           HA       VAL  17 -10.847 -21.042 -11.974
  163    HB   VAL  17           HB       VAL  17  -8.474 -20.161 -10.324
  164   HG11  VAL  17          1HG1      VAL  17  -7.976 -22.661 -10.437
  165   HG12  VAL  17          2HG1      VAL  17  -9.268 -22.144  -9.352
  166   HG13  VAL  17          3HG1      VAL  17  -9.661 -22.855 -10.918
  167   HG21  VAL  17          1HG2      VAL  17  -8.779 -21.049 -13.141
  168   HG22  VAL  17          2HG2      VAL  17  -7.656 -19.886 -12.437
  169   HG23  VAL  17          3HG2      VAL  17  -7.369 -21.616 -12.246
  Start of MODEL    8
    1    H1   GLU   1           H        GLU   1   1.765  -0.034   0.249
    2    HA   GLU   1           HA       GLU   1   1.925   0.601  -2.624
    3    HB2  GLU   1          2HB       GLU   1   4.471   0.516  -2.126
    4    HB3  GLU   1          3HB       GLU   1   3.557   1.943  -1.661
    5    HG2  GLU   1          2HG       GLU   1   3.654   1.438   0.589
    6    HG3  GLU   1          3HG       GLU   1   3.958  -0.273   0.296
    7    H    PHE   2           H        PHE   2   2.171  -1.840  -0.214
    8    HA   PHE   2           HA       PHE   2   3.152  -3.756  -2.226
    9    HB2  PHE   2          2HB       PHE   2   4.426  -3.306   0.030
   10    HB3  PHE   2          3HB       PHE   2   3.188  -4.361   0.706
   11    HD1  PHE   2           HD1      PHE   2   5.947  -4.165  -1.732
   12    HD2  PHE   2           HD2      PHE   2   3.253  -6.699   0.374
   13    HE1  PHE   2           HE1      PHE   2   7.239  -6.131  -2.452
   14    HE2  PHE   2           HE2      PHE   2   4.541  -8.669  -0.342
   15    HZ   PHE   2           HZ       PHE   2   6.537  -8.387  -1.756
   16    H    LYS   3           H        LYS   3   0.371  -2.695  -1.121
   17    HA   LYS   3           HA       LYS   3  -0.853  -5.328  -0.683
   18    HB2  LYS   3          2HB       LYS   3  -2.872  -3.935  -0.024
   19    HB3  LYS   3          3HB       LYS   3  -1.478  -3.837   1.043
   20    HG2  LYS   3          2HG       LYS   3  -1.318  -1.645   0.755
   21    HG3  LYS   3          3HG       LYS   3  -1.351  -1.811  -1.002
   22    HD2  LYS   3          2HD       LYS   3  -3.216  -0.454  -0.303
   23    HD3  LYS   3          3HD       LYS   3  -3.821  -2.005  -0.891
   24    HE2  LYS   3          2HE       LYS   3  -3.288  -2.210   1.907
   25    HE3  LYS   3          3HE       LYS   3  -4.276  -0.780   1.616
   26    HZ1  LYS   3          1HZ       LYS   3  -4.890  -3.592   0.932
   27    HZ2  LYS   3          2HZ       LYS   3  -5.731  -2.297   0.241
   28    HZ3  LYS   3          3HZ       LYS   3  -5.775  -2.536   1.915
   29    H    ARG   4           H        ARG   4  -0.678  -2.677  -2.904
   30    HA   ARG   4           HA       ARG   4  -3.035  -3.346  -4.386
   31    HB2  ARG   4          2HB       ARG   4  -2.064  -1.780  -6.093
   32    HB3  ARG   4          3HB       ARG   4  -2.275  -1.084  -4.492
   33    HG2  ARG   4          2HG       ARG   4  -0.004  -1.021  -4.074
   34    HG3  ARG   4          3HG       ARG   4   0.354  -2.262  -5.276
   35    HD2  ARG   4          2HD       ARG   4   1.099  -0.284  -6.266
   36    HD3  ARG   4          3HD       ARG   4  -0.480  -0.562  -7.000
   37    HE   ARG   4           HE       ARG   4  -0.841   1.058  -4.755
   38   HH11  ARG   4          1HH1      ARG   4   0.660   1.195  -7.894
   39   HH12  ARG   4          2HH1      ARG   4   0.454   2.907  -8.062
   40   HH21  ARG   4          1HH2      ARG   4  -1.117   3.313  -4.965
   41   HH22  ARG   4          2HH2      ARG   4  -0.556   4.111  -6.395
   42    H    ILE   5           H        ILE   5   0.293  -4.333  -4.429
   43    HA   ILE   5           HA       ILE   5   0.222  -5.477  -7.061
   44    HB   ILE   5           HB       ILE   5   2.357  -6.634  -6.249
   45   HG12  ILE   5          2HG1      ILE   5   2.171  -4.618  -4.014
   46   HG13  ILE   5          3HG1      ILE   5   1.682  -6.295  -3.804
   47   HG21  ILE   5          1HG2      ILE   5   3.075  -3.883  -5.918
   48   HG22  ILE   5          2HG2      ILE   5   3.330  -4.942  -7.303
   49   HG23  ILE   5          3HG2      ILE   5   1.829  -4.029  -7.157
   50   HD11  ILE   5          1HD1      ILE   5   4.306  -5.128  -3.749
   51   HD12  ILE   5          2HD1      ILE   5   3.781  -6.742  -3.270
   52   HD13  ILE   5          3HD1      ILE   5   4.216  -6.418  -4.948
   53    H    VAL   6           H        VAL   6  -0.284  -6.624  -3.780
   54    HA   VAL   6           HA       VAL   6  -0.491  -9.391  -4.620
   55    HB   VAL   6           HB       VAL   6  -1.148  -9.774  -2.215
   56   HG11  VAL   6          1HG1      VAL   6   1.032  -9.954  -1.614
   57   HG12  VAL   6          2HG1      VAL   6   1.274  -9.602  -3.327
   58   HG13  VAL   6          3HG1      VAL   6   1.425  -8.314  -2.130
   59   HG21  VAL   6          1HG2      VAL   6  -0.907  -8.016  -0.619
   60   HG22  VAL   6          2HG2      VAL   6  -0.325  -6.898  -1.852
   61   HG23  VAL   6          3HG2      VAL   6  -2.002  -7.442  -1.878
   62    H    GLN   7           H        GLN   7  -2.583  -6.696  -3.974
   63    HA   GLN   7           HA       GLN   7  -4.979  -8.269  -3.736
   64    HB2  GLN   7          2HB       GLN   7  -5.030  -6.211  -2.583
   65    HB3  GLN   7          3HB       GLN   7  -4.430  -5.321  -3.976
   66    HG2  GLN   7          2HG       GLN   7  -6.472  -5.209  -4.966
   67    HG3  GLN   7          3HG       GLN   7  -7.023  -6.725  -4.255
   68   HE21  GLN   7          1HE2      GLN   7  -7.822  -6.724  -2.137
   69   HE22  GLN   7          2HE2      GLN   7  -8.362  -5.272  -1.373
   70    H    ARG   8           H        ARG   8  -3.093  -7.044  -6.306
   71    HA   ARG   8           HA       ARG   8  -5.264  -6.992  -8.224
   72    HB2  ARG   8          2HB       ARG   8  -3.564  -6.370  -9.846
   73    HB3  ARG   8          3HB       ARG   8  -3.403  -5.387  -8.397
   74    HG2  ARG   8          2HG       ARG   8  -1.425  -6.373  -7.778
   75    HG3  ARG   8          3HG       ARG   8  -1.770  -7.864  -8.658
   76    HD2  ARG   8          2HD       ARG   8  -1.315  -5.256 -10.074
   77    HD3  ARG   8          3HD       ARG   8   0.024  -6.304  -9.608
   78    HE   ARG   8           HE       ARG   8  -1.687  -7.943 -10.963
   79   HH11  ARG   8          1HH1      ARG   8  -0.068  -4.944 -11.674
   80   HH12  ARG   8          2HH1      ARG   8   0.044  -5.257 -13.374
   81   HH21  ARG   8          1HH2      ARG   8  -1.544  -8.367 -13.199
   82   HH22  ARG   8          2HH2      ARG   8  -0.796  -7.204 -14.241
   83    H    ILE   9           H        ILE   9  -2.929  -9.228  -7.040
   84    HA   ILE   9           HA       ILE   9  -3.208 -11.002  -9.336
   85    HB   ILE   9           HB       ILE   9  -1.684 -12.501  -7.949
   86   HG12  ILE   9          2HG1      ILE   9  -1.300  -9.959  -6.358
   87   HG13  ILE   9          3HG1      ILE   9  -2.221 -11.345  -5.785
   88   HG21  ILE   9          1HG2      ILE   9  -1.151 -10.187  -9.515
   89   HG22  ILE   9          2HG2      ILE   9   0.064 -10.294  -8.242
   90   HG23  ILE   9          3HG2      ILE   9  -0.182 -11.651  -9.342
   91   HD11  ILE   9          1HD1      ILE   9   0.715 -11.054  -6.181
   92   HD12  ILE   9          2HD1      ILE   9  -0.181 -11.692  -4.802
   93   HD13  ILE   9          3HD1      ILE   9  -0.026 -12.651  -6.274
   94    H    LYS  10           H        LYS  10  -4.151 -10.788  -5.954
   95    HA   LYS  10           HA       LYS  10  -5.184 -13.397  -5.685
   96    HB2  LYS  10          2HB       LYS  10  -6.314 -12.564  -3.705
   97    HB3  LYS  10          3HB       LYS  10  -4.681 -11.916  -3.774
   98    HG2  LYS  10          2HG       LYS  10  -5.821 -10.033  -3.212
   99    HG3  LYS  10          3HG       LYS  10  -5.898  -9.907  -4.971
  100    HD2  LYS  10          2HD       LYS  10  -8.122 -10.096  -4.971
  101    HD3  LYS  10          3HD       LYS  10  -8.073 -11.501  -3.904
  102    HE2  LYS  10          2HE       LYS  10  -8.074 -10.157  -1.969
  103    HE3  LYS  10          3HE       LYS  10  -7.680  -8.702  -2.883
  104    HZ1  LYS  10          1HZ       LYS  10 -10.012  -9.551  -3.993
  105    HZ2  LYS  10          2HZ       LYS  10  -9.856  -8.310  -2.854
  106    HZ3  LYS  10          3HZ       LYS  10 -10.236  -9.879  -2.348
  107    H    ASP  11           H        ASP  11  -6.505 -10.452  -7.012
  108    HA   ASP  11           HA       ASP  11  -9.131 -11.712  -7.337
  109    HB2  ASP  11          2HB       ASP  11  -8.369  -9.101  -6.709
  110    HB3  ASP  11          3HB       ASP  11  -8.920  -9.012  -8.379
  111    H    PHE  12           H        PHE  12  -6.369 -11.823  -8.936
  112    HA   PHE  12           HA       PHE  12  -7.497 -11.388 -11.607
  113    HB2  PHE  12          2HB       PHE  12  -5.426 -10.351 -11.584
  114    HB3  PHE  12          3HB       PHE  12  -4.716 -11.559 -10.518
  115    HD1  PHE  12           HD1      PHE  12  -3.203 -13.022 -11.424
  116    HD2  PHE  12           HD2      PHE  12  -6.182 -11.317 -13.942
  117    HE1  PHE  12           HE1      PHE  12  -2.200 -14.148 -13.368
  118    HE2  PHE  12           HE2      PHE  12  -5.185 -12.441 -15.889
  119    HZ   PHE  12           HZ       PHE  12  -3.192 -13.860 -15.604
  120    H    LEU  13           H        LEU  13  -6.591 -13.864  -9.401
  121    HA   LEU  13           HA       LEU  13  -6.865 -15.894 -11.517
  122    HB2  LEU  13          2HB       LEU  13  -5.432 -17.292 -10.378
  123    HB3  LEU  13          3HB       LEU  13  -4.726 -15.705 -10.078
  124    HG   LEU  13           HG       LEU  13  -6.354 -15.997  -7.911
  125   HD11  LEU  13          1HD1      LEU  13  -6.511 -18.470  -8.939
  126   HD12  LEU  13          2HD1      LEU  13  -6.578 -18.130  -7.211
  127   HD13  LEU  13          3HD1      LEU  13  -5.063 -18.649  -7.949
  128   HD21  LEU  13          1HD2      LEU  13  -3.918 -17.115  -7.142
  129   HD22  LEU  13          2HD2      LEU  13  -4.366 -15.409  -7.110
  130   HD23  LEU  13          3HD2      LEU  13  -3.536 -16.077  -8.516
  131    H    ARG  14           H        ARG  14  -8.147 -14.670  -8.556
  132    HA   ARG  14           HA       ARG  14  -9.793 -17.014  -8.072
  133    HB2  ARG  14          2HB       ARG  14  -9.662 -14.344  -6.659
  134    HB3  ARG  14          3HB       ARG  14 -10.656 -15.702  -6.149
  135    HG2  ARG  14          2HG       ARG  14  -7.794 -16.286  -6.510
  136    HG3  ARG  14          3HG       ARG  14  -8.198 -15.188  -5.188
  137    HD2  ARG  14          2HD       ARG  14  -9.161 -16.813  -3.969
  138    HD3  ARG  14          3HD       ARG  14  -9.917 -17.556  -5.378
  139    HE   ARG  14           HE       ARG  14  -7.083 -17.974  -5.267
  140   HH11  ARG  14          1HH1      ARG  14 -10.174 -19.120  -4.148
  141   HH12  ARG  14          2HH1      ARG  14  -9.618 -20.737  -3.864
  142   HH21  ARG  14          1HH2      ARG  14  -6.340 -20.098  -4.898
  143   HH22  ARG  14          2HH2      ARG  14  -7.437 -21.292  -4.291
  144    H    ASN  15           H        ASN  15  -9.944 -14.632 -10.251
  145    HA   ASN  15           HA       ASN  15 -12.885 -14.479 -10.148
  146    HB2  ASN  15          2HB       ASN  15 -11.891 -12.279  -9.805
  147    HB3  ASN  15          3HB       ASN  15 -10.929 -12.461 -11.269
  148   HD21  ASN  15          1HD2      ASN  15 -11.854 -12.115 -13.238
  149   HD22  ASN  15          2HD2      ASN  15 -13.453 -11.493 -13.443
  150    H    LEU  16           H        LEU  16 -10.255 -15.720 -11.791
  151    HA   LEU  16           HA       LEU  16 -11.809 -15.976 -14.282
  152    HB2  LEU  16          2HB       LEU  16  -9.952 -15.702 -15.528
  153    HB3  LEU  16          3HB       LEU  16  -9.407 -14.823 -14.101
  154    HG   LEU  16           HG       LEU  16  -8.476 -17.220 -13.443
  155   HD11  LEU  16          1HD1      LEU  16  -8.170 -18.703 -15.096
  156   HD12  LEU  16          2HD1      LEU  16  -7.830 -17.454 -16.294
  157   HD13  LEU  16          3HD1      LEU  16  -9.498 -17.844 -15.877
  158   HD21  LEU  16          1HD2      LEU  16  -7.427 -14.836 -14.500
  159   HD22  LEU  16          2HD2      LEU  16  -6.634 -16.156 -15.359
  160   HD23  LEU  16          3HD2      LEU  16  -6.574 -16.089 -13.597
  161    H    VAL  17           H        VAL  17 -10.297 -17.606 -11.675
  162    HA   VAL  17           HA       VAL  17 -10.458 -20.193 -13.051
  163    HB   VAL  17           HB       VAL  17  -9.223 -19.515 -10.378
  164   HG11  VAL  17          1HG1      VAL  17  -8.138 -21.861 -10.981
  165   HG12  VAL  17          2HG1      VAL  17  -9.662 -21.734 -10.100
  166   HG13  VAL  17          3HG1      VAL  17  -9.668 -22.063 -11.833
  167   HG21  VAL  17          1HG2      VAL  17  -7.100 -20.118 -11.697
  168   HG22  VAL  17          2HG2      VAL  17  -8.083 -19.837 -13.134
  169   HG23  VAL  17          3HG2      VAL  17  -7.828 -18.535 -11.972
  Start of MODEL    9
    1    H1   GLU   1           H        GLU   1   2.584  -0.315   0.681
    2    HA   GLU   1           HA       GLU   1   0.949  -0.007  -1.745
    3    HB2  GLU   1          2HB       GLU   1   3.927  -0.121  -1.862
    4    HB3  GLU   1          3HB       GLU   1   2.799   0.772  -2.873
    5    HG2  GLU   1          2HG       GLU   1   3.544   1.457  -0.039
    6    HG3  GLU   1          3HG       GLU   1   4.140   2.259  -1.491
    7    H    PHE   2           H        PHE   2   2.377  -2.314   0.216
    8    HA   PHE   2           HA       PHE   2   2.982  -4.200  -1.906
    9    HB2  PHE   2          2HB       PHE   2   4.178  -3.897   0.429
   10    HB3  PHE   2          3HB       PHE   2   2.905  -4.983   0.977
   11    HD1  PHE   2           HD1      PHE   2   2.933  -7.293   0.434
   12    HD2  PHE   2           HD2      PHE   2   5.797  -4.647  -1.274
   13    HE1  PHE   2           HE1      PHE   2   4.234  -9.222  -0.365
   14    HE2  PHE   2           HE2      PHE   2   7.102  -6.572  -2.076
   15    HZ   PHE   2           HZ       PHE   2   6.321  -8.864  -1.623
   16    H    LYS   3           H        LYS   3   0.198  -3.119  -0.804
   17    HA   LYS   3           HA       LYS   3  -1.115  -5.720  -0.498
   18    HB2  LYS   3          2HB       LYS   3  -2.696  -3.220  -0.330
   19    HB3  LYS   3          3HB       LYS   3  -2.773  -4.670   0.663
   20    HG2  LYS   3          2HG       LYS   3  -1.891  -3.303   2.215
   21    HG3  LYS   3          3HG       LYS   3  -0.376  -3.741   1.421
   22    HD2  LYS   3          2HD       LYS   3  -0.125  -1.692   0.475
   23    HD3  LYS   3          3HD       LYS   3  -1.863  -1.453   0.276
   24    HE2  LYS   3          2HE       LYS   3  -0.984  -1.542   3.065
   25    HE3  LYS   3          3HE       LYS   3  -0.289  -0.212   2.141
   26    HZ1  LYS   3          1HZ       LYS   3  -2.825  -0.040   1.389
   27    HZ2  LYS   3          2HZ       LYS   3  -2.205   0.782   2.730
   28    HZ3  LYS   3          3HZ       LYS   3  -3.044  -0.671   2.944
   29    H    ARG   4           H        ARG   4  -1.010  -2.889  -2.576
   30    HA   ARG   4           HA       ARG   4  -3.208  -3.611  -4.219
   31    HB2  ARG   4          2HB       ARG   4  -2.183  -1.969  -5.833
   32    HB3  ARG   4          3HB       ARG   4  -2.520  -1.332  -4.229
   33    HG2  ARG   4          2HG       ARG   4  -0.390  -0.804  -3.902
   34    HG3  ARG   4          3HG       ARG   4   0.155  -2.409  -4.394
   35    HD2  ARG   4          2HD       ARG   4   1.068  -0.629  -5.826
   36    HD3  ARG   4          3HD       ARG   4   0.059  -1.763  -6.724
   37    HE   ARG   4           HE       ARG   4  -1.670   0.208  -6.076
   38   HH11  ARG   4          1HH1      ARG   4   1.469   0.190  -7.582
   39   HH12  ARG   4          2HH1      ARG   4   1.162   1.601  -8.541
   40   HH21  ARG   4          1HH2      ARG   4  -2.087   2.066  -7.333
   41   HH22  ARG   4          2HH2      ARG   4  -0.861   2.667  -8.397
   42    H    ILE   5           H        ILE   5   0.142  -4.517  -4.143
   43    HA   ILE   5           HA       ILE   5   0.244  -5.552  -6.812
   44    HB   ILE   5           HB       ILE   5   2.332  -6.732  -5.920
   45   HG12  ILE   5          2HG1      ILE   5   1.971  -4.837  -3.601
   46   HG13  ILE   5          3HG1      ILE   5   1.503  -6.532  -3.512
   47   HG21  ILE   5          1HG2      ILE   5   2.132  -3.726  -5.784
   48   HG22  ILE   5          2HG2      ILE   5   3.630  -4.643  -5.936
   49   HG23  ILE   5          3HG2      ILE   5   2.431  -4.693  -7.228
   50   HD11  ILE   5          1HD1      ILE   5   3.571  -6.918  -2.813
   51   HD12  ILE   5          2HD1      ILE   5   4.085  -6.618  -4.473
   52   HD13  ILE   5          3HD1      ILE   5   4.115  -5.310  -3.290
   53    H    VAL   6           H        VAL   6  -0.411  -6.878  -3.619
   54    HA   VAL   6           HA       VAL   6  -0.554  -9.595  -4.607
   55    HB   VAL   6           HB       VAL   6  -1.339 -10.113  -2.276
   56   HG11  VAL   6          1HG1      VAL   6   1.165  -8.592  -1.907
   57   HG12  VAL   6          2HG1      VAL   6   0.802 -10.284  -1.564
   58   HG13  VAL   6          3HG1      VAL   6   1.152  -9.773  -3.216
   59   HG21  VAL   6          1HG2      VAL   6  -2.298  -7.843  -1.867
   60   HG22  VAL   6          2HG2      VAL   6  -1.252  -8.432  -0.576
   61   HG23  VAL   6          3HG2      VAL   6  -0.650  -7.232  -1.719
   62    H    GLN   7           H        GLN   7  -2.725  -6.963  -3.903
   63    HA   GLN   7           HA       GLN   7  -5.107  -8.562  -3.913
   64    HB2  GLN   7          2HB       GLN   7  -5.241  -6.558  -2.667
   65    HB3  GLN   7          3HB       GLN   7  -4.585  -5.599  -3.987
   66    HG2  GLN   7          2HG       GLN   7  -6.576  -5.477  -5.080
   67    HG3  GLN   7          3HG       GLN   7  -7.141  -7.025  -4.453
   68   HE21  GLN   7          1HE2      GLN   7  -8.584  -6.986  -2.879
   69   HE22  GLN   7          2HE2      GLN   7  -8.971  -5.619  -1.895
   70    H    ARG   8           H        ARG   8  -3.069  -7.265  -6.305
   71    HA   ARG   8           HA       ARG   8  -5.130  -7.127  -8.347
   72    HB2  ARG   8          2HB       ARG   8  -3.482  -5.450  -8.571
   73    HB3  ARG   8          3HB       ARG   8  -2.169  -6.594  -8.331
   74    HG2  ARG   8          2HG       ARG   8  -2.219  -7.322 -10.487
   75    HG3  ARG   8          3HG       ARG   8  -3.943  -6.995 -10.674
   76    HD2  ARG   8          2HD       ARG   8  -3.336  -5.172 -11.807
   77    HD3  ARG   8          3HD       ARG   8  -2.856  -4.495 -10.252
   78    HE   ARG   8           HE       ARG   8  -0.720  -6.005 -11.197
   79   HH11  ARG   8          1HH1      ARG   8  -2.500  -3.152 -12.102
   80   HH12  ARG   8          2HH1      ARG   8  -1.153  -2.405 -12.895
   81   HH21  ARG   8          1HH2      ARG   8   1.060  -5.031 -12.239
   82   HH22  ARG   8          2HH2      ARG   8   0.871  -3.475 -12.973
   83    H    ILE   9           H        ILE   9  -2.992  -9.432  -7.044
   84    HA   ILE   9           HA       ILE   9  -3.090 -11.097  -9.455
   85    HB   ILE   9           HB       ILE   9  -1.549 -12.604  -8.085
   86   HG12  ILE   9          2HG1      ILE   9  -1.285 -10.087  -6.428
   87   HG13  ILE   9          3HG1      ILE   9  -2.107 -11.549  -5.896
   88   HG21  ILE   9          1HG2      ILE   9   0.160 -10.365  -8.314
   89   HG22  ILE   9          2HG2      ILE   9  -0.063 -11.690  -9.454
   90   HG23  ILE   9          3HG2      ILE   9  -1.052 -10.236  -9.589
   91   HD11  ILE   9          1HD1      ILE   9   0.772 -10.967  -6.132
   92   HD12  ILE   9          2HD1      ILE   9  -0.101 -11.952  -4.957
   93   HD13  ILE   9          3HD1      ILE   9   0.258 -12.599  -6.558
   94    H    LYS  10           H        LYS  10  -4.066 -11.032  -6.074
   95    HA   LYS  10           HA       LYS  10  -5.011 -13.661  -5.856
   96    HB2  LYS  10          2HB       LYS  10  -6.281 -12.876  -3.938
   97    HB3  LYS  10          3HB       LYS  10  -4.678 -12.153  -3.932
   98    HG2  LYS  10          2HG       LYS  10  -5.939 -10.327  -3.431
   99    HG3  LYS  10          3HG       LYS  10  -5.918 -10.203  -5.192
  100    HD2  LYS  10          2HD       LYS  10  -8.128 -10.499  -5.324
  101    HD3  LYS  10          3HD       LYS  10  -8.077 -11.895  -4.244
  102    HE2  LYS  10          2HE       LYS  10  -7.968 -10.342  -2.319
  103    HE3  LYS  10          3HE       LYS  10  -8.137  -8.989  -3.436
  104    HZ1  LYS  10          1HZ       LYS  10 -10.295  -9.744  -4.059
  105    HZ2  LYS  10          2HZ       LYS  10 -10.242  -9.690  -2.369
  106    HZ3  LYS  10          3HZ       LYS  10 -10.126 -11.175  -3.172
  107    H    ASP  11           H        ASP  11  -6.434 -10.792  -7.250
  108    HA   ASP  11           HA       ASP  11  -8.964 -12.205  -7.696
  109    HB2  ASP  11          2HB       ASP  11  -8.362  -9.537  -7.059
  110    HB3  ASP  11          3HB       ASP  11  -8.910  -9.508  -8.733
  111    H    PHE  12           H        PHE  12  -6.133 -12.151  -9.166
  112    HA   PHE  12           HA       PHE  12  -7.088 -11.669 -11.881
  113    HB2  PHE  12          2HB       PHE  12  -4.969 -10.740 -11.658
  114    HB3  PHE  12          3HB       PHE  12  -4.391 -12.050 -10.634
  115    HD1  PHE  12           HD1      PHE  12  -5.662 -11.539 -14.106
  116    HD2  PHE  12           HD2      PHE  12  -2.896 -13.523 -11.551
  117    HE1  PHE  12           HE1      PHE  12  -4.622 -12.603 -16.065
  118    HE2  PHE  12           HE2      PHE  12  -1.851 -14.590 -13.506
  119    HZ   PHE  12           HZ       PHE  12  -2.713 -14.130 -15.767
  120    H    LEU  13           H        LEU  13  -6.491 -14.250  -9.700
  121    HA   LEU  13           HA       LEU  13  -6.783 -16.195 -11.895
  122    HB2  LEU  13          2HB       LEU  13  -5.423 -17.700 -10.800
  123    HB3  LEU  13          3HB       LEU  13  -4.640 -16.159 -10.457
  124    HG   LEU  13           HG       LEU  13  -6.293 -16.449  -8.298
  125   HD11  LEU  13          1HD1      LEU  13  -6.318 -18.953  -9.465
  126   HD12  LEU  13          2HD1      LEU  13  -6.737 -18.570  -7.796
  127   HD13  LEU  13          3HD1      LEU  13  -5.100 -19.089  -8.196
  128   HD21  LEU  13          1HD2      LEU  13  -3.934 -15.761  -8.312
  129   HD22  LEU  13          2HD2      LEU  13  -3.455 -17.440  -8.560
  130   HD23  LEU  13          3HD2      LEU  13  -4.267 -16.966  -7.067
  131    H    ARG  14           H        ARG  14  -8.021 -15.013  -8.901
  132    HA   ARG  14           HA       ARG  14  -9.663 -17.286  -8.305
  133    HB2  ARG  14          2HB       ARG  14  -9.507 -14.474  -7.254
  134    HB3  ARG  14          3HB       ARG  14 -10.811 -15.551  -6.769
  135    HG2  ARG  14          2HG       ARG  14  -9.134 -17.162  -5.948
  136    HG3  ARG  14          3HG       ARG  14  -7.863 -16.009  -6.364
  137    HD2  ARG  14          2HD       ARG  14  -9.027 -14.359  -4.859
  138    HD3  ARG  14          3HD       ARG  14 -10.052 -15.689  -4.322
  139    HE   ARG  14           HE       ARG  14  -7.495 -16.593  -3.973
  140   HH11  ARG  14          1HH1      ARG  14  -9.321 -13.838  -2.878
  141   HH12  ARG  14          2HH1      ARG  14  -8.452 -13.690  -1.387
  142   HH21  ARG  14          1HH2      ARG  14  -6.343 -16.408  -2.013
  143   HH22  ARG  14          2HH2      ARG  14  -6.757 -15.151  -0.896
  144    H    ASN  15           H        ASN  15  -9.820 -14.985 -10.681
  145    HA   ASN  15           HA       ASN  15 -12.758 -15.039 -10.792
  146    HB2  ASN  15          2HB       ASN  15 -10.728 -13.048 -11.544
  147    HB3  ASN  15          3HB       ASN  15 -11.999 -13.273 -12.742
  148   HD21  ASN  15          1HD2      ASN  15 -12.847 -11.235 -12.378
  149   HD22  ASN  15          2HD2      ASN  15 -13.732 -10.844 -10.947
  150    H    LEU  16           H        LEU  16 -10.076 -16.539 -12.057
  151    HA   LEU  16           HA       LEU  16 -11.515 -17.252 -14.527
  152    HB2  LEU  16          2HB       LEU  16  -8.619 -17.754 -14.418
  153    HB3  LEU  16          3HB       LEU  16  -9.620 -17.162 -15.743
  154    HG   LEU  16           HG       LEU  16  -8.655 -15.489 -13.424
  155   HD11  LEU  16          1HD1      LEU  16  -7.675 -15.601 -16.273
  156   HD12  LEU  16          2HD1      LEU  16  -6.810 -16.204 -14.859
  157   HD13  LEU  16          3HD1      LEU  16  -7.129 -14.478 -15.027
  158   HD21  LEU  16          1HD2      LEU  16  -9.687 -13.680 -14.391
  159   HD22  LEU  16          2HD2      LEU  16 -10.847 -14.959 -14.752
  160   HD23  LEU  16          3HD2      LEU  16  -9.719 -14.415 -15.994
  161    H    VAL  17           H        VAL  17 -10.377 -18.342 -11.562
  162    HA   VAL  17           HA       VAL  17 -10.818 -21.124 -12.379
  163    HB   VAL  17           HB       VAL  17  -8.557 -20.301 -10.555
  164   HG11  VAL  17          1HG1      VAL  17  -8.265 -22.901 -11.656
  165   HG12  VAL  17          2HG1      VAL  17  -8.485 -22.440  -9.967
  166   HG13  VAL  17          3HG1      VAL  17  -9.890 -22.770 -10.982
  167   HG21  VAL  17          1HG2      VAL  17  -7.163 -21.213 -12.513
  168   HG22  VAL  17          2HG2      VAL  17  -8.609 -20.942 -13.485
  169   HG23  VAL  17          3HG2      VAL  17  -7.836 -19.590 -12.658
  Start of MODEL   10
    1    H1   GLU   1           H        GLU   1   1.061  -0.088   1.137
    2    HA   GLU   1           HA       GLU   1   0.050   0.246  -1.596
    3    HB2  GLU   1          2HB       GLU   1   2.951   0.421  -0.886
    4    HB3  GLU   1          3HB       GLU   1   2.065   1.245  -2.161
    5    HG2  GLU   1          2HG       GLU   1   0.979   2.660  -0.492
    6    HG3  GLU   1          3HG       GLU   1   1.874   1.837   0.784
    7    H    PHE   2           H        PHE   2   1.247  -2.110   0.480
    8    HA   PHE   2           HA       PHE   2   2.417  -3.724  -1.655
    9    HB2  PHE   2          2HB       PHE   2   3.359  -3.441   0.772
   10    HB3  PHE   2          3HB       PHE   2   2.150  -4.654   1.182
   11    HD1  PHE   2           HD1      PHE   2   5.177  -3.988  -0.803
   12    HD2  PHE   2           HD2      PHE   2   2.439  -6.934   0.590
   13    HE1  PHE   2           HE1      PHE   2   6.718  -5.761  -1.534
   14    HE2  PHE   2           HE2      PHE   2   3.976  -8.711  -0.138
   15    HZ   PHE   2           HZ       PHE   2   6.119  -8.126  -1.200
   16    H    LYS   3           H        LYS   3  -0.582  -3.081  -0.832
   17    HA   LYS   3           HA       LYS   3  -1.550  -5.852  -0.853
   18    HB2  LYS   3          2HB       LYS   3  -3.776  -4.765  -0.331
   19    HB3  LYS   3          3HB       LYS   3  -2.544  -4.622   0.915
   20    HG2  LYS   3          2HG       LYS   3  -2.696  -2.423  -1.051
   21    HG3  LYS   3          3HG       LYS   3  -4.035  -2.569   0.091
   22    HD2  LYS   3          2HD       LYS   3  -1.168  -2.600   0.991
   23    HD3  LYS   3          3HD       LYS   3  -2.059  -1.093   0.769
   24    HE2  LYS   3          2HE       LYS   3  -3.076  -3.341   2.488
   25    HE3  LYS   3          3HE       LYS   3  -2.027  -2.070   3.114
   26    HZ1  LYS   3          1HZ       LYS   3  -3.717  -0.650   3.202
   27    HZ2  LYS   3          2HZ       LYS   3  -4.744  -1.971   2.954
   28    HZ3  LYS   3          3HZ       LYS   3  -4.246  -1.029   1.640
   29    H    ARG   4           H        ARG   4  -1.451  -2.918  -2.715
   30    HA   ARG   4           HA       ARG   4  -3.488  -3.632  -4.579
   31    HB2  ARG   4          2HB       ARG   4  -2.471  -1.804  -5.969
   32    HB3  ARG   4          3HB       ARG   4  -2.950  -1.316  -4.348
   33    HG2  ARG   4          2HG       ARG   4  -0.729  -1.217  -3.601
   34    HG3  ARG   4          3HG       ARG   4  -0.135  -2.125  -4.994
   35    HD2  ARG   4          2HD       ARG   4  -1.524   0.230  -5.869
   36    HD3  ARG   4          3HD       ARG   4  -0.288   0.663  -4.689
   37    HE   ARG   4           HE       ARG   4   0.915  -1.073  -6.467
   38   HH11  ARG   4          1HH1      ARG   4  -0.634   2.042  -6.594
   39   HH12  ARG   4          2HH1      ARG   4   0.311   2.602  -7.934
   40   HH21  ARG   4          1HH2      ARG   4   2.165  -0.348  -8.232
   41   HH22  ARG   4          2HH2      ARG   4   1.901   1.241  -8.866
   42    H    ILE   5           H        ILE   5  -0.071  -4.258  -4.305
   43    HA   ILE   5           HA       ILE   5   0.311  -5.099  -7.009
   44    HB   ILE   5           HB       ILE   5   2.408  -6.192  -6.025
   45   HG12  ILE   5          2HG1      ILE   5   1.734  -4.495  -3.626
   46   HG13  ILE   5          3HG1      ILE   5   1.366  -6.215  -3.686
   47   HG21  ILE   5          1HG2      ILE   5   2.828  -3.465  -5.274
   48   HG22  ILE   5          2HG2      ILE   5   3.356  -4.314  -6.726
   49   HG23  ILE   5          3HG2      ILE   5   1.775  -3.533  -6.687
   50   HD11  ILE   5          1HD1      ILE   5   3.845  -4.891  -3.101
   51   HD12  ILE   5          2HD1      ILE   5   3.399  -6.586  -2.903
   52   HD13  ILE   5          3HD1      ILE   5   4.037  -6.016  -4.445
   53    H    VAL   6           H        VAL   6  -0.541  -6.691  -3.997
   54    HA   VAL   6           HA       VAL   6  -0.391  -9.333  -5.191
   55    HB   VAL   6           HB       VAL   6  -1.305 -10.076  -2.957
   56   HG11  VAL   6          1HG1      VAL   6   0.795 -10.198  -2.107
   57   HG12  VAL   6          2HG1      VAL   6   1.211  -9.611  -3.718
   58   HG13  VAL   6          3HG1      VAL   6   1.118  -8.483  -2.365
   59   HG21  VAL   6          1HG2      VAL   6  -0.775  -7.218  -2.161
   60   HG22  VAL   6          2HG2      VAL   6  -2.384  -7.890  -2.428
   61   HG23  VAL   6          3HG2      VAL   6  -1.368  -8.522  -1.132
   62    H    GLN   7           H        GLN   7  -2.812  -6.962  -4.299
   63    HA   GLN   7           HA       GLN   7  -5.063  -8.675  -4.597
   64    HB2  GLN   7          2HB       GLN   7  -5.402  -6.739  -3.289
   65    HB3  GLN   7          3HB       GLN   7  -4.725  -5.686  -4.524
   66    HG2  GLN   7          2HG       GLN   7  -6.645  -5.650  -5.751
   67    HG3  GLN   7          3HG       GLN   7  -7.164  -7.239  -5.191
   68   HE21  GLN   7          1HE2      GLN   7  -8.150  -4.250  -5.189
   69   HE22  GLN   7          2HE2      GLN   7  -8.877  -4.115  -3.628
   70    H    ARG   8           H        ARG   8  -2.975  -7.184  -6.819
   71    HA   ARG   8           HA       ARG   8  -4.894  -6.977  -8.968
   72    HB2  ARG   8          2HB       ARG   8  -3.161  -6.070 -10.254
   73    HB3  ARG   8          3HB       ARG   8  -2.801  -5.520  -8.623
   74    HG2  ARG   8          2HG       ARG   8  -0.739  -6.252  -9.090
   75    HG3  ARG   8          3HG       ARG   8  -1.407  -7.836  -8.691
   76    HD2  ARG   8          2HD       ARG   8  -1.452  -8.515 -10.859
   77    HD3  ARG   8          3HD       ARG   8  -1.760  -6.891 -11.473
   78    HE   ARG   8           HE       ARG   8   0.784  -8.150 -11.137
   79   HH11  ARG   8          1HH1      ARG   8  -0.868  -5.086 -11.157
   80   HH12  ARG   8          2HH1      ARG   8   0.543  -4.180 -11.595
   81   HH21  ARG   8          1HH2      ARG   8   2.649  -6.969 -11.714
   82   HH22  ARG   8          2HH2      ARG   8   2.542  -5.252 -11.912
   83    H    ILE   9           H        ILE   9  -2.738  -9.349  -7.700
   84    HA   ILE   9           HA       ILE   9  -2.931 -10.977 -10.130
   85    HB   ILE   9           HB       ILE   9  -1.363 -12.517  -8.830
   86   HG12  ILE   9          2HG1      ILE   9  -1.041 -10.030  -7.138
   87   HG13  ILE   9          3HG1      ILE   9  -1.845 -11.503  -6.607
   88   HG21  ILE   9          1HG2      ILE   9  -0.850 -10.645 -10.607
   89   HG22  ILE   9          2HG2      ILE   9  -0.051  -9.878  -9.235
   90   HG23  ILE   9          3HG2      ILE   9   0.452 -11.483  -9.765
   91   HD11  ILE   9          1HD1      ILE   9   0.908 -10.843  -6.504
   92   HD12  ILE   9          2HD1      ILE   9   0.098 -12.302  -5.933
   93   HD13  ILE   9          3HD1      ILE   9   0.709 -12.222  -7.585
   94    H    LYS  10           H        LYS  10  -3.799 -10.970  -6.716
   95    HA   LYS  10           HA       LYS  10  -4.729 -13.578  -6.457
   96    HB2  LYS  10          2HB       LYS  10  -5.724 -11.043  -5.146
   97    HB3  LYS  10          3HB       LYS  10  -6.185 -12.663  -4.640
   98    HG2  LYS  10          2HG       LYS  10  -4.161 -13.098  -3.696
   99    HG3  LYS  10          3HG       LYS  10  -3.289 -12.036  -4.804
  100    HD2  LYS  10          2HD       LYS  10  -3.235 -10.535  -3.156
  101    HD3  LYS  10          3HD       LYS  10  -4.974 -10.337  -3.387
  102    HE2  LYS  10          2HE       LYS  10  -5.347 -12.177  -1.769
  103    HE3  LYS  10          3HE       LYS  10  -3.608 -12.241  -1.487
  104    HZ1  LYS  10          1HZ       LYS  10  -4.507 -10.924   0.220
  105    HZ2  LYS  10          2HZ       LYS  10  -5.473 -10.032  -0.845
  106    HZ3  LYS  10          3HZ       LYS  10  -3.793  -9.828  -0.854
  107    H    ASP  11           H        ASP  11  -6.806 -10.714  -6.926
  108    HA   ASP  11           HA       ASP  11  -9.087 -12.202  -7.644
  109    HB2  ASP  11          2HB       ASP  11  -8.351  -9.311  -8.124
  110    HB3  ASP  11          3HB       ASP  11  -9.928  -9.987  -8.523
  111    H    PHE  12           H        PHE  12  -6.273 -11.454  -9.384
  112    HA   PHE  12           HA       PHE  12  -7.437 -11.433 -12.006
  113    HB2  PHE  12          2HB       PHE  12  -5.407 -10.270 -11.883
  114    HB3  PHE  12          3HB       PHE  12  -4.628 -11.542 -10.948
  115    HD1  PHE  12           HD1      PHE  12  -5.950 -10.728 -14.312
  116    HD2  PHE  12           HD2      PHE  12  -3.371 -13.203 -12.001
  117    HE1  PHE  12           HE1      PHE  12  -4.988 -11.652 -16.380
  118    HE2  PHE  12           HE2      PHE  12  -2.405 -14.130 -14.065
  119    HZ   PHE  12           HZ       PHE  12  -3.213 -13.354 -16.258
  120    H    LEU  13           H        LEU  13  -6.498 -13.846  -9.772
  121    HA   LEU  13           HA       LEU  13  -6.665 -15.900 -11.878
  122    HB2  LEU  13          2HB       LEU  13  -5.147 -17.233 -10.749
  123    HB3  LEU  13          3HB       LEU  13  -4.491 -15.610 -10.540
  124    HG   LEU  13           HG       LEU  13  -6.042 -15.924  -8.295
  125   HD11  LEU  13          1HD1      LEU  13  -5.933 -18.456  -9.261
  126   HD12  LEU  13          2HD1      LEU  13  -6.104 -18.040  -7.556
  127   HD13  LEU  13          3HD1      LEU  13  -4.514 -18.426  -8.214
  128   HD21  LEU  13          1HD2      LEU  13  -3.232 -15.825  -9.005
  129   HD22  LEU  13          2HD2      LEU  13  -3.515 -16.756  -7.534
  130   HD23  LEU  13          3HD2      LEU  13  -4.081 -15.089  -7.646
  131    H    ARG  14           H        ARG  14  -7.925 -14.720  -8.892
  132    HA   ARG  14           HA       ARG  14  -9.347 -17.128  -8.208
  133    HB2  ARG  14          2HB       ARG  14  -9.374 -14.312  -7.143
  134    HB3  ARG  14          3HB       ARG  14 -10.518 -15.523  -6.580
  135    HG2  ARG  14          2HG       ARG  14  -8.873 -16.789  -5.555
  136    HG3  ARG  14          3HG       ARG  14  -7.583 -16.083  -6.530
  137    HD2  ARG  14          2HD       ARG  14  -7.222 -14.980  -4.565
  138    HD3  ARG  14          3HD       ARG  14  -8.363 -13.869  -5.321
  139    HE   ARG  14           HE       ARG  14  -9.900 -14.401  -3.709
  140   HH11  ARG  14          1HH1      ARG  14  -7.334 -16.753  -3.669
  141   HH12  ARG  14          2HH1      ARG  14  -7.883 -17.520  -2.216
  142   HH21  ARG  14          1HH2      ARG  14 -10.632 -15.401  -1.794
  143   HH22  ARG  14          2HH2      ARG  14  -9.759 -16.751  -1.150
  144    H    ASN  15           H        ASN  15  -9.772 -14.852 -10.565
  145    HA   ASN  15           HA       ASN  15 -12.703 -15.077 -10.520
  146    HB2  ASN  15          2HB       ASN  15 -11.336 -12.808 -10.722
  147    HB3  ASN  15          3HB       ASN  15 -11.301 -13.258 -12.425
  148   HD21  ASN  15          1HD2      ASN  15 -13.155 -11.993  -9.866
  149   HD22  ASN  15          2HD2      ASN  15 -14.629 -11.765 -10.737
  150    H    LEU  16           H        LEU  16  -9.998 -16.412 -11.933
  151    HA   LEU  16           HA       LEU  16 -11.534 -17.248 -14.306
  152    HB2  LEU  16          2HB       LEU  16  -8.606 -17.545 -14.369
  153    HB3  LEU  16          3HB       LEU  16  -9.725 -17.045 -15.636
  154    HG   LEU  16           HG       LEU  16  -8.743 -15.276 -13.397
  155   HD11  LEU  16          1HD1      LEU  16  -6.958 -15.902 -14.969
  156   HD12  LEU  16          2HD1      LEU  16  -7.375 -14.192 -15.072
  157   HD13  LEU  16          3HD1      LEU  16  -7.948 -15.315 -16.305
  158   HD21  LEU  16          1HD2      LEU  16 -11.046 -14.919 -14.584
  159   HD22  LEU  16          2HD2      LEU  16 -10.044 -14.320 -15.906
  160   HD23  LEU  16          3HD2      LEU  16  -9.959 -13.556 -14.318
  161    H    VAL  17           H        VAL  17 -10.132 -18.225 -11.412
  162    HA   VAL  17           HA       VAL  17  -9.661 -20.245 -10.460
  163    HB   VAL  17           HB       VAL  17 -11.710 -21.180 -12.474
  164   HG11  VAL  17          1HG1      VAL  17 -10.555 -22.507 -10.032
  165   HG12  VAL  17          2HG1      VAL  17 -12.068 -23.016 -10.786
  166   HG13  VAL  17          3HG1      VAL  17 -10.557 -23.100 -11.693
  167   HG21  VAL  17          1HG2      VAL  17 -12.685 -19.498 -11.115
  168   HG22  VAL  17          2HG2      VAL  17 -13.229 -21.044 -10.464
  169   HG23  VAL  17          3HG2      VAL  17 -11.942 -20.150  -9.655
  Start of MODEL   11
    1    H1   GLU   1           H        GLU   1   2.360  -0.787   1.383
    2    HA   GLU   1           HA       GLU   1   1.463  -0.217  -1.353
    3    HB2  GLU   1          2HB       GLU   1   4.341  -0.552  -0.608
    4    HB3  GLU   1          3HB       GLU   1   3.627   0.435  -1.876
    5    HG2  GLU   1          2HG       GLU   1   2.774   1.984  -0.191
    6    HG3  GLU   1          3HG       GLU   1   3.498   0.997   1.078
    7    H    PHE   2           H        PHE   2   2.213  -2.779   0.688
    8    HA   PHE   2           HA       PHE   2   3.102  -4.530  -1.478
    9    HB2  PHE   2          2HB       PHE   2   4.098  -4.446   0.940
   10    HB3  PHE   2          3HB       PHE   2   2.706  -5.442   1.350
   11    HD1  PHE   2           HD1      PHE   2   5.767  -5.268  -0.693
   12    HD2  PHE   2           HD2      PHE   2   2.616  -7.733   0.760
   13    HE1  PHE   2           HE1      PHE   2   6.980  -7.266  -1.462
   14    HE2  PHE   2           HE2      PHE   2   3.824  -9.735  -0.005
   15    HZ   PHE   2           HZ       PHE   2   6.009  -9.503  -1.117
   16    H    LYS   3           H        LYS   3   0.256  -3.411  -0.615
   17    HA   LYS   3           HA       LYS   3  -1.158  -5.983  -0.663
   18    HB2  LYS   3          2HB       LYS   3  -3.169  -4.553  -0.104
   19    HB3  LYS   3          3HB       LYS   3  -1.918  -4.623   1.130
   20    HG2  LYS   3          2HG       LYS   3  -1.690  -2.423   1.099
   21    HG3  LYS   3          3HG       LYS   3  -1.416  -2.428  -0.644
   22    HD2  LYS   3          2HD       LYS   3  -3.326  -1.054  -0.192
   23    HD3  LYS   3          3HD       LYS   3  -3.888  -2.540  -0.961
   24    HE2  LYS   3          2HE       LYS   3  -5.020  -3.204   0.868
   25    HE3  LYS   3          3HE       LYS   3  -3.770  -2.634   1.972
   26    HZ1  LYS   3          1HZ       LYS   3  -4.875  -0.755   2.324
   27    HZ2  LYS   3          2HZ       LYS   3  -6.197  -1.463   1.542
   28    HZ3  LYS   3          3HZ       LYS   3  -5.127  -0.481   0.674
   29    H    ARG   4           H        ARG   4  -0.596  -3.074  -2.486
   30    HA   ARG   4           HA       ARG   4  -2.732  -3.420  -4.341
   31    HB2  ARG   4          2HB       ARG   4  -1.437  -1.764  -5.717
   32    HB3  ARG   4          3HB       ARG   4  -1.822  -1.227  -4.087
   33    HG2  ARG   4          2HG       ARG   4   0.330  -1.078  -3.496
   34    HG3  ARG   4          3HG       ARG   4   0.764  -2.573  -4.326
   35    HD2  ARG   4          2HD       ARG   4   1.870  -1.140  -5.684
   36    HD3  ARG   4          3HD       ARG   4   0.288  -1.020  -6.452
   37    HE   ARG   4           HE       ARG   4   0.475   0.895  -4.403
   38   HH11  ARG   4          1HH1      ARG   4   1.756   0.199  -7.564
   39   HH12  ARG   4          2HH1      ARG   4   2.030   1.863  -7.963
   40   HH21  ARG   4          1HH2      ARG   4   0.830   3.089  -4.916
   41   HH22  ARG   4          2HH2      ARG   4   1.503   3.506  -6.455
   42    H    ILE   5           H        ILE   5   0.535  -4.604  -4.104
   43    HA   ILE   5           HA       ILE   5   0.757  -5.457  -6.823
   44    HB   ILE   5           HB       ILE   5   2.654  -6.891  -5.873
   45   HG12  ILE   5          2HG1      ILE   5   2.281  -5.141  -3.447
   46   HG13  ILE   5          3HG1      ILE   5   1.641  -6.778  -3.525
   47   HG21  ILE   5          1HG2      ILE   5   2.441  -3.982  -6.127
   48   HG22  ILE   5          2HG2      ILE   5   3.824  -4.532  -5.182
   49   HG23  ILE   5          3HG2      ILE   5   3.603  -5.102  -6.836
   50   HD11  ILE   5          1HD1      ILE   5   4.329  -5.864  -3.000
   51   HD12  ILE   5          2HD1      ILE   5   3.594  -7.443  -2.720
   52   HD13  ILE   5          3HD1      ILE   5   4.279  -7.056  -4.298
   53    H    VAL   6           H        VAL   6  -0.310  -6.936  -3.819
   54    HA   VAL   6           HA       VAL   6  -0.609  -9.547  -5.052
   55    HB   VAL   6           HB       VAL   6  -1.597 -10.174  -2.819
   56   HG11  VAL   6          1HG1      VAL   6   0.952 -10.089  -3.600
   57   HG12  VAL   6          2HG1      VAL   6   1.047  -8.979  -2.231
   58   HG13  VAL   6          3HG1      VAL   6   0.467 -10.628  -1.993
   59   HG21  VAL   6          1HG2      VAL   6  -1.421  -8.664  -0.973
   60   HG22  VAL   6          2HG2      VAL   6  -0.621  -7.450  -1.972
   61   HG23  VAL   6          3HG2      VAL   6  -2.316  -7.847  -2.254
   62    H    GLN   7           H        GLN   7  -2.577  -6.799  -4.178
   63    HA   GLN   7           HA       GLN   7  -5.092  -8.123  -4.436
   64    HB2  GLN   7          2HB       GLN   7  -5.093  -6.170  -3.108
   65    HB3  GLN   7          3HB       GLN   7  -4.262  -5.232  -4.342
   66    HG2  GLN   7          2HG       GLN   7  -6.162  -4.864  -5.545
   67    HG3  GLN   7          3HG       GLN   7  -6.930  -6.353  -4.998
   68   HE21  GLN   7          1HE2      GLN   7  -6.150  -3.054  -4.154
   69   HE22  GLN   7          2HE2      GLN   7  -7.321  -2.894  -2.894
   70    H    ARG   8           H        ARG   8  -2.805  -6.968  -6.665
   71    HA   ARG   8           HA       ARG   8  -4.708  -6.476  -8.794
   72    HB2  ARG   8          2HB       ARG   8  -2.815  -5.072  -8.884
   73    HB3  ARG   8          3HB       ARG   8  -1.706  -6.409  -8.611
   74    HG2  ARG   8          2HG       ARG   8  -1.809  -7.122 -10.793
   75    HG3  ARG   8          3HG       ARG   8  -3.391  -6.390 -11.069
   76    HD2  ARG   8          2HD       ARG   8  -0.990  -4.688 -10.513
   77    HD3  ARG   8          3HD       ARG   8  -1.296  -5.307 -12.135
   78    HE   ARG   8           HE       ARG   8  -3.575  -4.002 -10.992
   79   HH11  ARG   8          1HH1      ARG   8  -0.575  -3.502 -12.686
   80   HH12  ARG   8          2HH1      ARG   8  -1.071  -1.997 -13.388
   81   HH21  ARG   8          1HH2      ARG   8  -4.240  -2.023 -11.910
   82   HH22  ARG   8          2HH2      ARG   8  -3.156  -1.157 -12.945
   83    H    ILE   9           H        ILE   9  -3.108  -9.146  -7.464
   84    HA   ILE   9           HA       ILE   9  -3.542 -10.710  -9.925
   85    HB   ILE   9           HB       ILE   9  -1.970 -12.329  -8.403
   86   HG12  ILE   9          2HG1      ILE   9  -0.775  -9.582  -8.064
   87   HG13  ILE   9          3HG1      ILE   9  -1.744 -10.339  -6.805
   88   HG21  ILE   9          1HG2      ILE   9  -1.189 -10.278 -10.463
   89   HG22  ILE   9          2HG2      ILE   9  -0.105 -11.543  -9.888
   90   HG23  ILE   9          3HG2      ILE   9  -1.597 -11.973 -10.725
   91   HD11  ILE   9          1HD1      ILE   9   0.902 -10.537  -6.908
   92   HD12  ILE   9          2HD1      ILE   9  -0.124 -11.820  -6.265
   93   HD13  ILE   9          3HD1      ILE   9   0.488 -11.925  -7.915
   94    H    LYS  10           H        LYS  10  -4.285 -10.355  -6.573
   95    HA   LYS  10           HA       LYS  10  -5.150 -12.899  -5.880
   96    HB2  LYS  10          2HB       LYS  10  -6.270 -11.908  -4.085
   97    HB3  LYS  10          3HB       LYS  10  -4.985 -10.763  -4.446
   98    HG2  LYS  10          2HG       LYS  10  -6.578  -9.390  -5.709
   99    HG3  LYS  10          3HG       LYS  10  -7.864 -10.528  -5.299
  100    HD2  LYS  10          2HD       LYS  10  -6.209  -9.191  -3.179
  101    HD3  LYS  10          3HD       LYS  10  -7.634  -8.410  -3.869
  102    HE2  LYS  10          2HE       LYS  10  -8.890 -10.542  -3.281
  103    HE3  LYS  10          3HE       LYS  10  -7.479 -10.984  -2.321
  104    HZ1  LYS  10          1HZ       LYS  10  -9.479  -9.686  -1.274
  105    HZ2  LYS  10          2HZ       LYS  10  -8.668  -8.341  -1.901
  106    HZ3  LYS  10          3HZ       LYS  10  -7.888  -9.360  -0.798
  107    H    ASP  11           H        ASP  11  -6.867 -10.331  -7.599
  108    HA   ASP  11           HA       ASP  11  -9.198 -12.058  -7.928
  109    HB2  ASP  11          2HB       ASP  11  -8.664  -9.152  -8.193
  110    HB3  ASP  11          3HB       ASP  11  -9.875  -9.830  -9.278
  111    H    PHE  12           H        PHE  12  -6.365 -11.985  -9.360
  112    HA   PHE  12           HA       PHE  12  -7.283 -11.934 -12.129
  113    HB2  PHE  12          2HB       PHE  12  -5.209 -10.811 -11.813
  114    HB3  PHE  12          3HB       PHE  12  -4.552 -12.141 -10.867
  115    HD1  PHE  12           HD1      PHE  12  -3.010 -13.475 -11.903
  116    HD2  PHE  12           HD2      PHE  12  -6.006 -11.581 -14.260
  117    HE1  PHE  12           HE1      PHE  12  -2.006 -14.427 -13.938
  118    HE2  PHE  12           HE2      PHE  12  -5.007 -12.531 -16.298
  119    HZ   PHE  12           HZ       PHE  12  -3.005 -13.956 -16.139
  120    H    LEU  13           H        LEU  13  -6.596 -14.161  -9.615
  121    HA   LEU  13           HA       LEU  13  -6.756 -16.390 -11.536
  122    HB2  LEU  13          2HB       LEU  13  -5.689 -17.555  -9.348
  123    HB3  LEU  13          3HB       LEU  13  -4.747 -16.920 -10.696
  124    HG   LEU  13           HG       LEU  13  -4.484 -14.794  -9.406
  125   HD11  LEU  13          1HD1      LEU  13  -6.443 -15.970  -7.769
  126   HD12  LEU  13          2HD1      LEU  13  -5.612 -14.432  -7.534
  127   HD13  LEU  13          3HD1      LEU  13  -4.961 -15.905  -6.814
  128   HD21  LEU  13          1HD2      LEU  13  -2.926 -16.902  -9.416
  129   HD22  LEU  13          2HD2      LEU  13  -3.421 -17.017  -7.727
  130   HD23  LEU  13          3HD2      LEU  13  -2.616 -15.561  -8.314
  131    H    ARG  14           H        ARG  14  -8.206 -14.800  -8.928
  132    HA   ARG  14           HA       ARG  14  -9.607 -17.108  -7.889
  133    HB2  ARG  14          2HB       ARG  14  -9.568 -14.181  -7.257
  134    HB3  ARG  14          3HB       ARG  14 -10.901 -15.172  -6.680
  135    HG2  ARG  14          2HG       ARG  14  -8.099 -16.051  -6.173
  136    HG3  ARG  14          3HG       ARG  14  -8.809 -14.774  -5.184
  137    HD2  ARG  14          2HD       ARG  14 -10.786 -16.689  -5.252
  138    HD3  ARG  14          3HD       ARG  14  -9.307 -17.646  -5.180
  139    HE   ARG  14           HE       ARG  14 -10.417 -16.017  -3.095
  140   HH11  ARG  14          1HH1      ARG  14  -7.492 -17.404  -4.377
  141   HH12  ARG  14          2HH1      ARG  14  -6.663 -17.388  -2.855
  142   HH21  ARG  14          1HH2      ARG  14  -9.336 -15.991  -1.087
  143   HH22  ARG  14          2HH2      ARG  14  -7.713 -16.585  -0.984
  144    H    ASN  15           H        ASN  15  -9.928 -15.225 -10.590
  145    HA   ASN  15           HA       ASN  15 -12.853 -15.543 -10.668
  146    HB2  ASN  15          2HB       ASN  15 -12.061 -13.229 -10.961
  147    HB3  ASN  15          3HB       ASN  15 -11.086 -13.738 -12.336
  148   HD21  ASN  15          1HD2      ASN  15 -14.416 -14.406 -11.311
  149   HD22  ASN  15          2HD2      ASN  15 -15.151 -13.911 -12.794
  150    H    LEU  16           H        LEU  16 -10.046 -16.952 -11.722
  151    HA   LEU  16           HA       LEU  16 -11.371 -18.074 -14.103
  152    HB2  LEU  16          2HB       LEU  16  -8.449 -18.339 -13.884
  153    HB3  LEU  16          3HB       LEU  16  -9.456 -17.995 -15.289
  154    HG   LEU  16           HG       LEU  16  -8.675 -15.979 -13.184
  155   HD11  LEU  16          1HD1      LEU  16  -7.618 -16.375 -15.980
  156   HD12  LEU  16          2HD1      LEU  16  -6.746 -16.720 -14.487
  157   HD13  LEU  16          3HD1      LEU  16  -7.191 -15.061 -14.884
  158   HD21  LEU  16          1HD2      LEU  16  -9.803 -14.383 -14.399
  159   HD22  LEU  16          2HD2      LEU  16 -10.867 -15.776 -14.588
  160   HD23  LEU  16          3HD2      LEU  16  -9.761 -15.329 -15.887
  161    H    VAL  17           H        VAL  17 -10.223 -18.703 -11.008
  162    HA   VAL  17           HA       VAL  17 -10.476 -21.586 -11.466
  163    HB   VAL  17           HB       VAL  17  -8.241 -20.369  -9.838
  164   HG11  VAL  17          1HG1      VAL  17  -7.678 -23.031 -10.314
  165   HG12  VAL  17          2HG1      VAL  17  -8.268 -22.344  -8.800
  166   HG13  VAL  17          3HG1      VAL  17  -9.406 -23.026  -9.963
  167   HG21  VAL  17          1HG2      VAL  17  -6.890 -21.653 -11.668
  168   HG22  VAL  17          2HG2      VAL  17  -8.361 -21.451 -12.619
  169   HG23  VAL  17          3HG2      VAL  17  -7.510 -20.036 -11.999
  Start of MODEL   12
    1    H1   GLU   1           H        GLU   1   2.057  -0.450   1.351
    2    HA   GLU   1           HA       GLU   1   1.247   0.086  -1.417
    3    HB2  GLU   1          2HB       GLU   1   4.104  -0.157  -0.559
    4    HB3  GLU   1          3HB       GLU   1   3.408   0.810  -1.853
    5    HG2  GLU   1          2HG       GLU   1   2.438   2.325  -0.200
    6    HG3  GLU   1          3HG       GLU   1   3.142   1.358   1.095
    7    H    PHE   2           H        PHE   2   2.004  -2.458   0.645
    8    HA   PHE   2           HA       PHE   2   2.983  -4.172  -1.520
    9    HB2  PHE   2          2HB       PHE   2   4.011  -4.030   0.883
   10    HB3  PHE   2          3HB       PHE   2   2.672  -5.088   1.317
   11    HD1  PHE   2           HD1      PHE   2   2.710  -7.384   0.794
   12    HD2  PHE   2           HD2      PHE   2   5.662  -4.781  -0.827
   13    HE1  PHE   2           HE1      PHE   2   3.997  -9.332   0.019
   14    HE2  PHE   2           HE2      PHE   2   6.953  -6.725  -1.606
   15    HZ   PHE   2           HZ       PHE   2   6.121  -9.004  -1.184
   16    H    LYS   3           H        LYS   3   0.104  -3.178  -0.619
   17    HA   LYS   3           HA       LYS   3  -1.194  -5.811  -0.634
   18    HB2  LYS   3          2HB       LYS   3  -3.258  -4.468  -0.051
   19    HB3  LYS   3          3HB       LYS   3  -1.988  -4.483   1.165
   20    HG2  LYS   3          2HG       LYS   3  -1.875  -2.268  -0.770
   21    HG3  LYS   3          3HG       LYS   3  -3.250  -2.260   0.336
   22    HD2  LYS   3          2HD       LYS   3  -0.454  -2.674   1.342
   23    HD3  LYS   3          3HD       LYS   3  -1.086  -1.051   1.049
   24    HE2  LYS   3          2HE       LYS   3  -2.760  -2.916   2.638
   25    HE3  LYS   3          3HE       LYS   3  -1.310  -2.270   3.404
   26    HZ1  LYS   3          1HZ       LYS   3  -2.688  -0.593   3.927
   27    HZ2  LYS   3          2HZ       LYS   3  -3.773  -0.925   2.673
   28    HZ3  LYS   3          3HZ       LYS   3  -2.356  -0.057   2.358
   29    H    ARG   4           H        ARG   4  -0.787  -2.890  -2.477
   30    HA   ARG   4           HA       ARG   4  -2.936  -3.340  -4.298
   31    HB2  ARG   4          2HB       ARG   4  -1.741  -1.632  -5.699
   32    HB3  ARG   4          3HB       ARG   4  -2.123  -1.106  -4.065
   33    HG2  ARG   4          2HG       ARG   4   0.021  -0.798  -3.547
   34    HG3  ARG   4          3HG       ARG   4   0.506  -2.333  -4.272
   35    HD2  ARG   4          2HD       ARG   4   1.167  -1.347  -6.166
   36    HD3  ARG   4          3HD       ARG   4  -0.283  -0.347  -6.247
   37    HE   ARG   4           HE       ARG   4   1.589   0.535  -4.262
   38   HH11  ARG   4          1HH1      ARG   4   0.744   0.668  -7.636
   39   HH12  ARG   4          2HH1      ARG   4   1.538   2.184  -7.909
   40   HH21  ARG   4          1HH2      ARG   4   2.637   2.531  -4.608
   41   HH22  ARG   4          2HH2      ARG   4   2.615   3.242  -6.187
   42    H    ILE   5           H        ILE   5   0.383  -4.377  -4.104
   43    HA   ILE   5           HA       ILE   5   0.601  -5.229  -6.825
   44    HB   ILE   5           HB       ILE   5   2.577  -6.570  -5.900
   45   HG12  ILE   5          2HG1      ILE   5   2.162  -4.827  -3.475
   46   HG13  ILE   5          3HG1      ILE   5   1.598  -6.493  -3.536
   47   HG21  ILE   5          1HG2      ILE   5   3.014  -3.738  -5.188
   48   HG22  ILE   5          2HG2      ILE   5   3.906  -4.783  -6.293
   49   HG23  ILE   5          3HG2      ILE   5   2.383  -4.055  -6.804
   50   HD11  ILE   5          1HD1      ILE   5   4.252  -6.605  -4.357
   51   HD12  ILE   5          2HD1      ILE   5   4.229  -5.466  -3.010
   52   HD13  ILE   5          3HD1      ILE   5   3.591  -7.097  -2.798
   53    H    VAL   6           H        VAL   6  -0.347  -6.742  -3.798
   54    HA   VAL   6           HA       VAL   6  -0.544  -9.370  -5.013
   55    HB   VAL   6           HB       VAL   6  -1.471 -10.029  -2.763
   56   HG11  VAL   6          1HG1      VAL   6   0.624 -10.377  -1.959
   57   HG12  VAL   6          2HG1      VAL   6   1.060  -9.834  -3.580
   58   HG13  VAL   6          3HG1      VAL   6   1.124  -8.708  -2.224
   59   HG21  VAL   6          1HG2      VAL   6  -2.291  -7.738  -2.199
   60   HG22  VAL   6          2HG2      VAL   6  -1.338  -8.501  -0.927
   61   HG23  VAL   6          3HG2      VAL   6  -0.613  -7.258  -1.945
   62    H    GLN   7           H        GLN   7  -2.627  -6.713  -4.119
   63    HA   GLN   7           HA       GLN   7  -5.080  -8.153  -4.338
   64    HB2  GLN   7          2HB       GLN   7  -5.153  -6.199  -3.016
   65    HB3  GLN   7          3HB       GLN   7  -4.386  -5.226  -4.265
   66    HG2  GLN   7          2HG       GLN   7  -6.318  -4.952  -5.440
   67    HG3  GLN   7          3HG       GLN   7  -7.006  -6.475  -4.879
   68   HE21  GLN   7          1HE2      GLN   7  -8.908  -5.798  -4.083
   69   HE22  GLN   7          2HE2      GLN   7  -9.085  -4.662  -2.794
   70    H    ARG   8           H        ARG   8  -2.882  -6.899  -6.603
   71    HA   ARG   8           HA       ARG   8  -4.833  -6.499  -8.706
   72    HB2  ARG   8          2HB       ARG   8  -3.004  -5.018  -8.831
   73    HB3  ARG   8          3HB       ARG   8  -1.835  -6.304  -8.563
   74    HG2  ARG   8          2HG       ARG   8  -1.784  -5.546 -10.867
   75    HG3  ARG   8          3HG       ARG   8  -2.329  -7.221 -10.770
   76    HD2  ARG   8          2HD       ARG   8  -4.192  -6.689 -11.852
   77    HD3  ARG   8          3HD       ARG   8  -4.607  -5.533 -10.586
   78    HE   ARG   8           HE       ARG   8  -3.998  -3.848 -11.997
   79   HH11  ARG   8          1HH1      ARG   8  -2.573  -6.818 -13.124
   80   HH12  ARG   8          2HH1      ARG   8  -1.952  -6.119 -14.583
   81   HH21  ARG   8          1HH2      ARG   8  -3.185  -2.916 -13.914
   82   HH22  ARG   8          2HH2      ARG   8  -2.300  -3.900 -15.031
   83    H    ILE   9           H        ILE   9  -3.086  -9.092  -7.398
   84    HA   ILE   9           HA       ILE   9  -3.498 -10.683  -9.845
   85    HB   ILE   9           HB       ILE   9  -1.833 -12.229  -8.352
   86   HG12  ILE   9          2HG1      ILE   9  -0.752  -9.435  -8.019
   87   HG13  ILE   9          3HG1      ILE   9  -1.674 -10.234  -6.750
   88   HG21  ILE   9          1HG2      ILE   9  -1.288 -10.187 -10.479
   89   HG22  ILE   9          2HG2      ILE   9  -0.007 -11.217  -9.843
   90   HG23  ILE   9          3HG2      ILE   9  -1.411 -11.939 -10.630
   91   HD11  ILE   9          1HD1      ILE   9   0.012 -11.647  -6.232
   92   HD12  ILE   9          2HD1      ILE   9   0.610 -11.723  -7.890
   93   HD13  ILE   9          3HD1      ILE   9   0.975 -10.322  -6.883
   94    H    LYS  10           H        LYS  10  -4.207 -10.344  -6.485
   95    HA   LYS  10           HA       LYS  10  -4.946 -12.920  -5.765
   96    HB2  LYS  10          2HB       LYS  10  -6.083 -11.969  -3.960
   97    HB3  LYS  10          3HB       LYS  10  -4.861 -10.765  -4.349
   98    HG2  LYS  10          2HG       LYS  10  -6.541  -9.483  -5.597
   99    HG3  LYS  10          3HG       LYS  10  -7.762 -10.680  -5.158
  100    HD2  LYS  10          2HD       LYS  10  -6.142  -9.260  -3.068
  101    HD3  LYS  10          3HD       LYS  10  -7.599  -8.533  -3.750
  102    HE2  LYS  10          2HE       LYS  10  -7.597 -11.311  -2.609
  103    HE3  LYS  10          3HE       LYS  10  -7.836  -9.892  -1.591
  104    HZ1  LYS  10          1HZ       LYS  10  -9.741 -11.230  -3.092
  105    HZ2  LYS  10          2HZ       LYS  10  -9.508  -9.743  -3.863
  106    HZ3  LYS  10          3HZ       LYS  10  -9.941  -9.789  -2.228
  107    H    ASP  11           H        ASP  11  -6.804 -10.444  -7.474
  108    HA   ASP  11           HA       ASP  11  -9.037 -12.307  -7.788
  109    HB2  ASP  11          2HB       ASP  11  -9.209  -9.763  -7.164
  110    HB3  ASP  11          3HB       ASP  11  -9.034  -9.526  -8.901
  111    H    PHE  12           H        PHE  12  -6.244 -12.019  -9.260
  112    HA   PHE  12           HA       PHE  12  -7.170 -11.885 -12.014
  113    HB2  PHE  12          2HB       PHE  12  -5.094 -10.783 -11.640
  114    HB3  PHE  12          3HB       PHE  12  -4.440 -12.162 -10.762
  115    HD1  PHE  12           HD1      PHE  12  -2.844 -13.363 -11.871
  116    HD2  PHE  12           HD2      PHE  12  -5.949 -11.510 -14.117
  117    HE1  PHE  12           HE1      PHE  12  -1.841 -14.212 -13.951
  118    HE2  PHE  12           HE2      PHE  12  -4.952 -12.357 -16.200
  119    HZ   PHE  12           HZ       PHE  12  -2.896 -13.711 -16.120
  120    H    LEU  13           H        LEU  13  -6.524 -14.233  -9.611
  121    HA   LEU  13           HA       LEU  13  -6.640 -16.367 -11.641
  122    HB2  LEU  13          2HB       LEU  13  -5.625 -17.710  -9.608
  123    HB3  LEU  13          3HB       LEU  13  -4.609 -16.808 -10.730
  124    HG   LEU  13           HG       LEU  13  -4.619 -14.921  -9.074
  125   HD11  LEU  13          1HD1      LEU  13  -6.072 -16.991  -7.461
  126   HD12  LEU  13          2HD1      LEU  13  -6.499 -15.303  -7.740
  127   HD13  LEU  13          3HD1      LEU  13  -5.135 -15.706  -6.698
  128   HD21  LEU  13          1HD2      LEU  13  -2.617 -15.839  -8.745
  129   HD22  LEU  13          2HD2      LEU  13  -3.252 -17.475  -8.925
  130   HD23  LEU  13          3HD2      LEU  13  -3.328 -16.666  -7.359
  131    H    ARG  14           H        ARG  14  -8.107 -14.935  -8.918
  132    HA   ARG  14           HA       ARG  14  -9.577 -17.269  -8.080
  133    HB2  ARG  14          2HB       ARG  14  -9.382 -14.433  -7.237
  134    HB3  ARG  14          3HB       ARG  14 -10.907 -15.243  -6.908
  135    HG2  ARG  14          2HG       ARG  14  -9.925 -16.785  -5.474
  136    HG3  ARG  14          3HG       ARG  14  -8.307 -16.493  -6.117
  137    HD2  ARG  14          2HD       ARG  14  -7.938 -14.944  -4.571
  138    HD3  ARG  14          3HD       ARG  14  -9.363 -14.046  -5.093
  139    HE   ARG  14           HE       ARG  14 -10.455 -14.823  -3.249
  140   HH11  ARG  14          1HH1      ARG  14  -7.741 -16.906  -3.892
  141   HH12  ARG  14          2HH1      ARG  14  -7.960 -17.852  -2.456
  142   HH21  ARG  14          1HH2      ARG  14 -10.753 -16.060  -1.356
  143   HH22  ARG  14          2HH2      ARG  14  -9.674 -17.370  -1.015
  144    H    ASN  15           H        ASN  15  -9.808 -15.247 -10.687
  145    HA   ASN  15           HA       ASN  15 -12.732 -15.528 -10.864
  146    HB2  ASN  15          2HB       ASN  15 -11.703 -13.215 -11.037
  147    HB3  ASN  15          3HB       ASN  15 -10.996 -13.735 -12.564
  148   HD21  ASN  15          1HD2      ASN  15 -14.099 -13.544 -10.872
  149   HD22  ASN  15          2HD2      ASN  15 -15.037 -13.175 -12.275
  150    H    LEU  16           H        LEU  16  -9.909 -16.922 -11.905
  151    HA   LEU  16           HA       LEU  16 -11.186 -17.928 -14.364
  152    HB2  LEU  16          2HB       LEU  16  -8.272 -18.229 -14.085
  153    HB3  LEU  16          3HB       LEU  16  -9.240 -17.819 -15.499
  154    HG   LEU  16           HG       LEU  16  -8.497 -15.897 -13.295
  155   HD11  LEU  16          1HD1      LEU  16  -7.372 -16.201 -16.075
  156   HD12  LEU  16          2HD1      LEU  16  -6.539 -16.589 -14.569
  157   HD13  LEU  16          3HD1      LEU  16  -6.973 -14.918 -14.932
  158   HD21  LEU  16          1HD2      LEU  16 -10.653 -15.618 -14.739
  159   HD22  LEU  16          2HD2      LEU  16  -9.514 -15.131 -15.995
  160   HD23  LEU  16          3HD2      LEU  16  -9.582 -14.242 -14.472
  161    H    VAL  17           H        VAL  17 -10.115 -18.699 -11.273
  162    HA   VAL  17           HA       VAL  17 -10.800 -21.440 -11.551
  163    HB   VAL  17           HB       VAL  17  -8.564 -21.548 -12.579
  164   HG11  VAL  17          1HG1      VAL  17  -7.506 -19.685 -11.447
  165   HG12  VAL  17          2HG1      VAL  17  -7.607 -20.534  -9.904
  166   HG13  VAL  17          3HG1      VAL  17  -6.570 -21.156 -11.188
  167   HG21  VAL  17          1HG2      VAL  17  -7.722 -23.022 -10.351
  168   HG22  VAL  17          2HG2      VAL  17  -9.485 -23.058 -10.313
  169   HG23  VAL  17          3HG2      VAL  17  -8.623 -23.610 -11.749
  Start of MODEL   13
    1    H1   GLU   1           H        GLU   1   0.945   0.355   1.164
    2    HA   GLU   1           HA       GLU   1   1.233   0.415  -1.509
    3    HB2  GLU   1          2HB       GLU   1   3.787   0.427  -1.047
    4    HB3  GLU   1          3HB       GLU   1   2.787   1.696  -0.354
    5    HG2  GLU   1          2HG       GLU   1   3.163   1.027   1.755
    6    HG3  GLU   1          3HG       GLU   1   3.133  -0.684   1.332
    7    H    PHE   2           H        PHE   2   1.683  -2.353   0.482
    8    HA   PHE   2           HA       PHE   2   2.822  -3.848  -1.783
    9    HB2  PHE   2          2HB       PHE   2   3.979  -3.746   0.555
   10    HB3  PHE   2          3HB       PHE   2   2.742  -4.907   1.023
   11    HD1  PHE   2           HD1      PHE   2   5.609  -4.320  -1.211
   12    HD2  PHE   2           HD2      PHE   2   2.852  -7.171   0.332
   13    HE1  PHE   2           HE1      PHE   2   6.974  -6.141  -2.146
   14    HE2  PHE   2           HE2      PHE   2   4.212  -8.997  -0.600
   15    HZ   PHE   2           HZ       PHE   2   6.277  -8.483  -1.840
   16    H    LYS   3           H        LYS   3  -0.071  -3.134  -0.682
   17    HA   LYS   3           HA       LYS   3  -1.160  -5.859  -0.769
   18    HB2  LYS   3          2HB       LYS   3  -3.287  -4.716  -0.011
   19    HB3  LYS   3          3HB       LYS   3  -1.954  -4.685   1.135
   20    HG2  LYS   3          2HG       LYS   3  -2.015  -2.374  -0.646
   21    HG3  LYS   3          3HG       LYS   3  -3.447  -2.530   0.373
   22    HD2  LYS   3          2HD       LYS   3  -1.831  -2.859   2.315
   23    HD3  LYS   3          3HD       LYS   3  -0.569  -2.295   1.216
   24    HE2  LYS   3          2HE       LYS   3  -1.625  -0.180   0.961
   25    HE3  LYS   3          3HE       LYS   3  -3.087  -0.740   1.772
   26    HZ1  LYS   3          1HZ       LYS   3  -1.432   0.685   3.081
   27    HZ2  LYS   3          2HZ       LYS   3  -0.496  -0.720   3.182
   28    HZ3  LYS   3          3HZ       LYS   3  -2.058  -0.697   3.831
   29    H    ARG   4           H        ARG   4  -1.089  -2.827  -2.474
   30    HA   ARG   4           HA       ARG   4  -3.292  -3.360  -4.203
   31    HB2  ARG   4          2HB       ARG   4  -2.310  -1.498  -5.574
   32    HB3  ARG   4          3HB       ARG   4  -2.641  -1.083  -3.897
   33    HG2  ARG   4          2HG       ARG   4  -0.484  -0.699  -3.435
   34    HG3  ARG   4          3HG       ARG   4   0.068  -2.082  -4.383
   35    HD2  ARG   4          2HD       ARG   4  -0.160  -0.825  -6.429
   36    HD3  ARG   4          3HD       ARG   4  -0.866   0.534  -5.555
   37    HE   ARG   4           HE       ARG   4   1.621   0.062  -4.429
   38   HH11  ARG   4          1HH1      ARG   4   0.327   0.986  -7.526
   39   HH12  ARG   4          2HH1      ARG   4   1.722   1.907  -7.981
   40   HH21  ARG   4          1HH2      ARG   4   3.463   1.272  -5.016
   41   HH22  ARG   4          2HH2      ARG   4   3.506   2.068  -6.553
   42    H    ILE   5           H        ILE   5   0.105  -4.134  -4.238
   43    HA   ILE   5           HA       ILE   5   0.237  -4.836  -7.005
   44    HB   ILE   5           HB       ILE   5   2.357  -6.060  -6.254
   45   HG12  ILE   5          2HG1      ILE   5   1.946  -4.474  -3.723
   46   HG13  ILE   5          3HG1      ILE   5   1.505  -6.174  -3.842
   47   HG21  ILE   5          1HG2      ILE   5   2.845  -3.342  -5.391
   48   HG22  ILE   5          2HG2      ILE   5   3.398  -4.182  -6.838
   49   HG23  ILE   5          3HG2      ILE   5   1.818  -3.401  -6.823
   50   HD11  ILE   5          1HD1      ILE   5   4.108  -6.051  -4.801
   51   HD12  ILE   5          2HD1      ILE   5   4.080  -4.968  -3.409
   52   HD13  ILE   5          3HD1      ILE   5   3.576  -6.649  -3.230
   53    H    VAL   6           H        VAL   6  -0.427  -6.563  -4.018
   54    HA   VAL   6           HA       VAL   6  -0.492  -9.136  -5.361
   55    HB   VAL   6           HB       VAL   6  -1.235  -9.977  -3.103
   56   HG11  VAL   6          1HG1      VAL   6   1.280  -8.484  -2.634
   57   HG12  VAL   6          2HG1      VAL   6   0.924 -10.201  -2.434
   58   HG13  VAL   6          3HG1      VAL   6   1.222  -9.542  -4.043
   59   HG21  VAL   6          1HG2      VAL   6  -0.539  -7.193  -2.183
   60   HG22  VAL   6          2HG2      VAL   6  -2.190  -7.782  -2.375
   61   HG23  VAL   6          3HG2      VAL   6  -1.117  -8.537  -1.198
   62    H    GLN   7           H        GLN   7  -2.713  -6.695  -4.225
   63    HA   GLN   7           HA       GLN   7  -5.060  -8.310  -4.382
   64    HB2  GLN   7          2HB       GLN   7  -5.203  -6.429  -2.962
   65    HB3  GLN   7          3HB       GLN   7  -4.584  -5.344  -4.201
   66    HG2  GLN   7          2HG       GLN   7  -6.596  -5.167  -5.255
   67    HG3  GLN   7          3HG       GLN   7  -7.134  -6.763  -4.735
   68   HE21  GLN   7          1HE2      GLN   7  -9.021  -6.303  -3.782
   69   HE22  GLN   7          2HE2      GLN   7  -9.213  -5.234  -2.439
   70    H    ARG   8           H        ARG   8  -3.095  -6.787  -6.697
   71    HA   ARG   8           HA       ARG   8  -5.190  -6.451  -8.670
   72    HB2  ARG   8          2HB       ARG   8  -3.496  -4.817  -8.813
   73    HB3  ARG   8          3HB       ARG   8  -2.214  -6.014  -8.679
   74    HG2  ARG   8          2HG       ARG   8  -2.384  -6.645 -10.883
   75    HG3  ARG   8          3HG       ARG   8  -4.059  -6.105 -11.018
   76    HD2  ARG   8          2HD       ARG   8  -3.472  -3.978 -11.501
   77    HD3  ARG   8          3HD       ARG   8  -2.083  -4.005 -10.415
   78    HE   ARG   8           HE       ARG   8  -1.582  -5.651 -12.648
   79   HH11  ARG   8          1HH1      ARG   8  -1.868  -2.297 -11.758
   80   HH12  ARG   8          2HH1      ARG   8  -0.802  -1.741 -13.006
   81   HH21  ARG   8          1HH2      ARG   8  -0.177  -4.930 -14.294
   82   HH22  ARG   8          2HH2      ARG   8   0.159  -3.239 -14.448
   83    H    ILE   9           H        ILE   9  -3.184  -8.951  -7.582
   84    HA   ILE   9           HA       ILE   9  -3.594 -10.454 -10.084
   85    HB   ILE   9           HB       ILE   9  -1.734 -11.924  -8.747
   86   HG12  ILE   9          2HG1      ILE   9  -0.864  -9.065  -8.349
   87   HG13  ILE   9          3HG1      ILE   9  -1.643  -9.990  -7.069
   88   HG21  ILE   9          1HG2      ILE   9  -1.345  -9.704 -10.744
   89   HG22  ILE   9          2HG2      ILE   9  -0.089 -10.863 -10.309
   90   HG23  ILE   9          3HG2      ILE   9  -1.578 -11.421 -11.071
   91   HD11  ILE   9          1HD1      ILE   9   0.993  -9.850  -7.352
   92   HD12  ILE   9          2HD1      ILE   9   0.179 -11.277  -6.709
   93   HD13  ILE   9          3HD1      ILE   9   0.684 -11.235  -8.398
   94    H    LYS  10           H        LYS  10  -4.141 -10.334  -6.678
   95    HA   LYS  10           HA       LYS  10  -4.638 -12.993  -6.058
   96    HB2  LYS  10          2HB       LYS  10  -5.744 -12.224  -4.149
   97    HB3  LYS  10          3HB       LYS  10  -4.639 -10.912  -4.535
   98    HG2  LYS  10          2HG       LYS  10  -6.475  -9.704  -5.627
   99    HG3  LYS  10          3HG       LYS  10  -7.577 -11.010  -5.186
  100    HD2  LYS  10          2HD       LYS  10  -5.953  -9.564  -3.117
  101    HD3  LYS  10          3HD       LYS  10  -7.502  -8.932  -3.679
  102    HE2  LYS  10          2HE       LYS  10  -8.376 -11.315  -3.146
  103    HE3  LYS  10          3HE       LYS  10  -6.916 -11.450  -2.168
  104    HZ1  LYS  10          1HZ       LYS  10  -9.270  -9.758  -1.770
  105    HZ2  LYS  10          2HZ       LYS  10  -7.773  -9.155  -1.265
  106    HZ3  LYS  10          3HZ       LYS  10  -8.353 -10.615  -0.636
  107    H    ASP  11           H        ASP  11  -6.780 -10.588  -7.523
  108    HA   ASP  11           HA       ASP  11  -8.935 -12.528  -7.741
  109    HB2  ASP  11          2HB       ASP  11  -8.760  -9.684  -7.669
  110    HB3  ASP  11          3HB       ASP  11  -9.510 -10.144  -9.194
  111    H    PHE  12           H        PHE  12  -6.206 -11.791  -9.467
  112    HA   PHE  12           HA       PHE  12  -7.292 -12.052 -12.123
  113    HB2  PHE  12          2HB       PHE  12  -5.325 -10.711 -11.909
  114    HB3  PHE  12          3HB       PHE  12  -4.471 -11.990 -11.051
  115    HD1  PHE  12           HD1      PHE  12  -6.310 -11.661 -14.286
  116    HD2  PHE  12           HD2      PHE  12  -2.811 -12.991 -12.260
  117    HE1  PHE  12           HE1      PHE  12  -5.386 -12.467 -16.419
  118    HE2  PHE  12           HE2      PHE  12  -1.880 -13.798 -14.390
  119    HZ   PHE  12           HZ       PHE  12  -3.167 -13.535 -16.473
  120    H    LEU  13           H        LEU  13  -6.370 -14.179  -9.639
  121    HA   LEU  13           HA       LEU  13  -6.240 -16.421 -11.547
  122    HB2  LEU  13          2HB       LEU  13  -5.049 -17.625  -9.672
  123    HB3  LEU  13          3HB       LEU  13  -4.155 -16.337 -10.476
  124    HG   LEU  13           HG       LEU  13  -5.445 -15.167  -8.257
  125   HD11  LEU  13          1HD1      LEU  13  -5.455 -17.729  -7.624
  126   HD12  LEU  13          2HD1      LEU  13  -5.067 -16.485  -6.436
  127   HD13  LEU  13          3HD1      LEU  13  -3.772 -17.392  -7.218
  128   HD21  LEU  13          1HD2      LEU  13  -2.554 -15.973  -8.451
  129   HD22  LEU  13          2HD2      LEU  13  -3.248 -14.583  -7.616
  130   HD23  LEU  13          3HD2      LEU  13  -3.240 -14.640  -9.380
  131    H    ARG  14           H        ARG  14  -7.794 -15.066  -8.781
  132    HA   ARG  14           HA       ARG  14  -9.097 -17.473  -7.928
  133    HB2  ARG  14          2HB       ARG  14  -9.346 -14.567  -7.244
  134    HB3  ARG  14          3HB       ARG  14 -10.592 -15.694  -6.723
  135    HG2  ARG  14          2HG       ARG  14  -7.814 -16.493  -6.152
  136    HG3  ARG  14          3HG       ARG  14  -8.420 -15.089  -5.270
  137    HD2  ARG  14          2HD       ARG  14  -9.873 -17.723  -5.430
  138    HD3  ARG  14          3HD       ARG  14  -8.762 -17.298  -4.129
  139    HE   ARG  14           HE       ARG  14 -10.660 -15.261  -4.352
  140   HH11  ARG  14          1HH1      ARG  14 -10.484 -18.622  -3.463
  141   HH12  ARG  14          2HH1      ARG  14 -11.820 -18.536  -2.364
  142   HH21  ARG  14          1HH2      ARG  14 -12.422 -15.135  -2.909
  143   HH22  ARG  14          2HH2      ARG  14 -12.923 -16.553  -2.050
  144    H    ASN  15           H        ASN  15  -9.484 -15.555 -10.600
  145    HA   ASN  15           HA       ASN  15 -12.371 -16.084 -10.785
  146    HB2  ASN  15          2HB       ASN  15 -10.580 -14.043 -12.068
  147    HB3  ASN  15          3HB       ASN  15 -12.119 -14.468 -12.812
  148   HD21  ASN  15          1HD2      ASN  15 -12.772 -12.298 -12.466
  149   HD22  ASN  15          2HD2      ASN  15 -13.318 -11.780 -10.910
  150    H    LEU  16           H        LEU  16  -9.434 -17.299 -11.755
  151    HA   LEU  16           HA       LEU  16 -10.623 -18.542 -14.148
  152    HB2  LEU  16          2HB       LEU  16  -7.693 -18.574 -13.870
  153    HB3  LEU  16          3HB       LEU  16  -8.695 -18.331 -15.299
  154    HG   LEU  16           HG       LEU  16  -8.119 -16.230 -13.211
  155   HD11  LEU  16          1HD1      LEU  16  -6.982 -16.578 -15.981
  156   HD12  LEU  16          2HD1      LEU  16  -6.114 -16.832 -14.468
  157   HD13  LEU  16          3HD1      LEU  16  -6.682 -15.219 -14.897
  158   HD21  LEU  16          1HD2      LEU  16  -9.203 -15.708 -15.943
  159   HD22  LEU  16          2HD2      LEU  16  -9.346 -14.745 -14.472
  160   HD23  LEU  16          3HD2      LEU  16 -10.294 -16.222 -14.655
  161    H    VAL  17           H        VAL  17  -9.478 -19.048 -11.027
  162    HA   VAL  17           HA       VAL  17  -8.960 -20.893  -9.789
  163    HB   VAL  17           HB       VAL  17 -10.698 -22.235 -11.864
  164   HG11  VAL  17          1HG1      VAL  17  -9.753 -24.051 -10.846
  165   HG12  VAL  17          2HG1      VAL  17  -9.466 -23.193  -9.331
  166   HG13  VAL  17          3HG1      VAL  17 -11.091 -23.746  -9.739
  167   HG21  VAL  17          1HG2      VAL  17 -12.266 -22.032  -9.716
  168   HG22  VAL  17          2HG2      VAL  17 -11.252 -20.614  -9.446
  169   HG23  VAL  17          3HG2      VAL  17 -12.171 -20.769 -10.943
  Start of MODEL   14
    1    H1   GLU   1           H        GLU   1   1.499  -0.303   1.084
    2    HA   GLU   1           HA       GLU   1   0.749   0.056  -1.740
    3    HB2  GLU   1          2HB       GLU   1   3.595  -0.042  -0.821
    4    HB3  GLU   1          3HB       GLU   1   2.903   0.777  -2.214
    5    HG2  GLU   1          2HG       GLU   1   1.877   2.429  -0.735
    6    HG3  GLU   1          3HG       GLU   1   2.580   1.611   0.660
    7    H    PHE   2           H        PHE   2   1.513  -2.252   0.581
    8    HA   PHE   2           HA       PHE   2   2.626  -4.148  -1.344
    9    HB2  PHE   2          2HB       PHE   2   3.445  -3.786   1.113
   10    HB3  PHE   2          3HB       PHE   2   2.072  -4.806   1.529
   11    HD1  PHE   2           HD1      PHE   2   2.161  -7.138   1.255
   12    HD2  PHE   2           HD2      PHE   2   5.218  -4.685  -0.405
   13    HE1  PHE   2           HE1      PHE   2   3.505  -9.143   0.775
   14    HE2  PHE   2           HE2      PHE   2   6.566  -6.686  -0.889
   15    HZ   PHE   2           HZ       PHE   2   5.709  -8.919  -0.300
   16    H    LYS   3           H        LYS   3  -0.321  -3.111  -0.811
   17    HA   LYS   3           HA       LYS   3  -1.599  -5.755  -0.717
   18    HB2  LYS   3          2HB       LYS   3  -3.523  -4.751   0.092
   19    HB3  LYS   3          3HB       LYS   3  -2.267  -3.757   0.818
   20    HG2  LYS   3          2HG       LYS   3  -3.698  -3.046  -1.731
   21    HG3  LYS   3          3HG       LYS   3  -4.190  -2.488  -0.130
   22    HD2  LYS   3          2HD       LYS   3  -1.575  -1.820  -0.093
   23    HD3  LYS   3          3HD       LYS   3  -1.916  -1.658  -1.817
   24    HE2  LYS   3          2HE       LYS   3  -4.076  -0.423  -0.709
   25    HE3  LYS   3          3HE       LYS   3  -2.810  -0.026   0.452
   26    HZ1  LYS   3          1HZ       LYS   3  -3.270   1.083  -2.093
   27    HZ2  LYS   3          2HZ       LYS   3  -1.746   0.349  -2.089
   28    HZ3  LYS   3          3HZ       LYS   3  -2.119   1.532  -0.938
   29    H    ARG   4           H        ARG   4  -0.957  -3.045  -2.761
   30    HA   ARG   4           HA       ARG   4  -2.990  -3.581  -4.696
   31    HB2  ARG   4          2HB       ARG   4  -1.747  -1.988  -6.112
   32    HB3  ARG   4          3HB       ARG   4  -2.045  -1.352  -4.499
   33    HG2  ARG   4          2HG       ARG   4   0.346  -2.341  -4.027
   34    HG3  ARG   4          3HG       ARG   4   0.509  -2.170  -5.776
   35    HD2  ARG   4          2HD       ARG   4  -0.667   0.169  -4.493
   36    HD3  ARG   4          3HD       ARG   4   0.956  -0.199  -3.909
   37    HE   ARG   4           HE       ARG   4   0.762  -0.244  -6.766
   38   HH11  ARG   4          1HH1      ARG   4   1.168   1.808  -3.983
   39   HH12  ARG   4          2HH1      ARG   4   1.990   3.055  -4.860
   40   HH21  ARG   4          1HH2      ARG   4   1.843   1.391  -7.932
   41   HH22  ARG   4          2HH2      ARG   4   2.373   2.818  -7.106
   42    H    ILE   5           H        ILE   5   0.299  -4.635  -4.184
   43    HA   ILE   5           HA       ILE   5   0.684  -5.740  -6.787
   44    HB   ILE   5           HB       ILE   5   2.554  -7.031  -5.606
   45   HG12  ILE   5          2HG1      ILE   5   2.009  -5.076  -3.377
   46   HG13  ILE   5          3HG1      ILE   5   1.407  -6.730  -3.337
   47   HG21  ILE   5          1HG2      ILE   5   3.398  -4.393  -5.023
   48   HG22  ILE   5          2HG2      ILE   5   3.735  -5.360  -6.458
   49   HG23  ILE   5          3HG2      ILE   5   2.315  -4.315  -6.413
   50   HD11  ILE   5          1HD1      ILE   5   3.324  -7.227  -2.333
   51   HD12  ILE   5          2HD1      ILE   5   4.068  -7.054  -3.923
   52   HD13  ILE   5          3HD1      ILE   5   4.063  -5.695  -2.799
   53    H    VAL   6           H        VAL   6  -0.515  -6.966  -3.719
   54    HA   VAL   6           HA       VAL   6  -0.673  -9.690  -4.695
   55    HB   VAL   6           HB       VAL   6  -1.830 -10.109  -2.493
   56   HG11  VAL   6          1HG1      VAL   6   0.169 -10.416  -1.466
   57   HG12  VAL   6          2HG1      VAL   6   0.776 -10.022  -3.076
   58   HG13  VAL   6          3HG1      VAL   6   0.729  -8.782  -1.822
   59   HG21  VAL   6          1HG2      VAL   6  -1.816  -8.403  -0.807
   60   HG22  VAL   6          2HG2      VAL   6  -0.994  -7.275  -1.886
   61   HG23  VAL   6          3HG2      VAL   6  -2.652  -7.772  -2.225
   62    H    GLN   7           H        GLN   7  -2.802  -6.951  -4.189
   63    HA   GLN   7           HA       GLN   7  -5.236  -8.388  -4.558
   64    HB2  GLN   7          2HB       GLN   7  -5.414  -6.347  -3.386
   65    HB3  GLN   7          3HB       GLN   7  -4.516  -5.467  -4.616
   66    HG2  GLN   7          2HG       GLN   7  -6.320  -5.266  -5.995
   67    HG3  GLN   7          3HG       GLN   7  -7.081  -6.740  -5.396
   68   HE21  GLN   7          1HE2      GLN   7  -8.993  -6.169  -4.633
   69   HE22  GLN   7          2HE2      GLN   7  -9.296  -4.873  -3.532
   70    H    ARG   8           H        ARG   8  -2.812  -7.313  -6.679
   71    HA   ARG   8           HA       ARG   8  -4.555  -7.065  -8.984
   72    HB2  ARG   8          2HB       ARG   8  -2.737  -5.570  -9.040
   73    HB3  ARG   8          3HB       ARG   8  -1.589  -6.813  -8.560
   74    HG2  ARG   8          2HG       ARG   8  -1.306  -6.230 -10.895
   75    HG3  ARG   8          3HG       ARG   8  -1.854  -7.899 -10.732
   76    HD2  ARG   8          2HD       ARG   8  -3.096  -6.923 -12.509
   77    HD3  ARG   8          3HD       ARG   8  -4.187  -7.072 -11.131
   78    HE   ARG   8           HE       ARG   8  -4.395  -4.801 -11.116
   79   HH11  ARG   8          1HH1      ARG   8  -1.516  -5.646 -12.881
   80   HH12  ARG   8          2HH1      ARG   8  -1.193  -4.022 -13.389
   81   HH21  ARG   8          1HH2      ARG   8  -3.981  -2.658 -11.779
   82   HH22  ARG   8          2HH2      ARG   8  -2.596  -2.323 -12.761
   83    H    ILE   9           H        ILE   9  -2.834  -9.520  -7.360
   84    HA   ILE   9           HA       ILE   9  -2.859 -11.261  -9.726
   85    HB   ILE   9           HB       ILE   9  -1.552 -12.829  -8.187
   86   HG12  ILE   9          2HG1      ILE   9  -1.223 -10.261  -6.620
   87   HG13  ILE   9          3HG1      ILE   9  -2.142 -11.662  -6.082
   88   HG21  ILE   9          1HG2      ILE   9  -0.770 -10.722  -9.848
   89   HG22  ILE   9          2HG2      ILE   9   0.268 -10.615  -8.428
   90   HG23  ILE   9          3HG2      ILE   9   0.196 -12.112  -9.356
   91   HD11  ILE   9          1HD1      ILE   9  -0.305 -12.479  -5.173
   92   HD12  ILE   9          2HD1      ILE   9   0.432 -12.577  -6.772
   93   HD13  ILE   9          3HD1      ILE   9   0.632 -11.122  -5.796
   94    H    LYS  10           H        LYS  10  -4.044 -10.990  -6.419
   95    HA   LYS  10           HA       LYS  10  -5.200 -13.505  -6.127
   96    HB2  LYS  10          2HB       LYS  10  -6.086 -10.831  -5.033
   97    HB3  LYS  10          3HB       LYS  10  -6.745 -12.375  -4.508
   98    HG2  LYS  10          2HG       LYS  10  -4.867 -12.945  -3.352
   99    HG3  LYS  10          3HG       LYS  10  -3.800 -12.012  -4.405
  100    HD2  LYS  10          2HD       LYS  10  -3.770 -10.454  -2.811
  101    HD3  LYS  10          3HD       LYS  10  -5.448 -10.108  -3.235
  102    HE2  LYS  10          2HE       LYS  10  -5.793 -10.559  -1.048
  103    HE3  LYS  10          3HE       LYS  10  -5.812 -12.225  -1.622
  104    HZ1  LYS  10          1HZ       LYS  10  -4.374 -11.868   0.332
  105    HZ2  LYS  10          2HZ       LYS  10  -3.397 -10.840  -0.590
  106    HZ3  LYS  10          3HZ       LYS  10  -3.529 -12.476  -1.002
  107    H    ASP  11           H        ASP  11  -6.994 -10.522  -6.911
  108    HA   ASP  11           HA       ASP  11  -9.306 -11.876  -7.785
  109    HB2  ASP  11          2HB       ASP  11  -8.298  -9.066  -8.200
  110    HB3  ASP  11          3HB       ASP  11  -9.826  -9.617  -8.882
  111    H    PHE  12           H        PHE  12  -6.296 -11.412  -9.274
  112    HA   PHE  12           HA       PHE  12  -7.199 -11.405 -11.995
  113    HB2  PHE  12          2HB       PHE  12  -5.093 -10.417 -11.704
  114    HB3  PHE  12          3HB       PHE  12  -4.523 -11.718 -10.664
  115    HD1  PHE  12           HD1      PHE  12  -5.517 -10.975 -14.164
  116    HD2  PHE  12           HD2      PHE  12  -3.257 -13.454 -11.544
  117    HE1  PHE  12           HE1      PHE  12  -4.454 -12.051 -16.105
  118    HE2  PHE  12           HE2      PHE  12  -2.190 -14.533 -13.480
  119    HZ   PHE  12           HZ       PHE  12  -2.787 -13.832 -15.764
  120    H    LEU  13           H        LEU  13  -6.684 -13.800  -9.604
  121    HA   LEU  13           HA       LEU  13  -6.852 -15.913 -11.652
  122    HB2  LEU  13          2HB       LEU  13  -5.554 -17.325 -10.357
  123    HB3  LEU  13          3HB       LEU  13  -4.775 -15.758 -10.150
  124    HG   LEU  13           HG       LEU  13  -6.514 -15.839  -8.029
  125   HD11  LEU  13          1HD1      LEU  13  -5.242 -18.486  -7.800
  126   HD12  LEU  13          2HD1      LEU  13  -6.632 -18.389  -8.880
  127   HD13  LEU  13          3HD1      LEU  13  -6.794 -17.911  -7.190
  128   HD21  LEU  13          1HD2      LEU  13  -4.540 -15.172  -7.244
  129   HD22  LEU  13          2HD2      LEU  13  -3.663 -16.026  -8.513
  130   HD23  LEU  13          3HD2      LEU  13  -4.143 -16.878  -7.045
  131    H    ARG  14           H        ARG  14  -8.234 -14.522  -8.811
  132    HA   ARG  14           HA       ARG  14  -9.897 -16.764  -8.143
  133    HB2  ARG  14          2HB       ARG  14  -9.861 -13.880  -7.267
  134    HB3  ARG  14          3HB       ARG  14 -11.080 -15.017  -6.708
  135    HG2  ARG  14          2HG       ARG  14  -8.463 -16.143  -6.375
  136    HG3  ARG  14          3HG       ARG  14  -8.547 -14.549  -5.621
  137    HD2  ARG  14          2HD       ARG  14 -10.628 -15.273  -4.467
  138    HD3  ARG  14          3HD       ARG  14 -10.383 -16.888  -5.130
  139    HE   ARG  14           HE       ARG  14  -9.009 -15.706  -2.911
  140   HH11  ARG  14          1HH1      ARG  14  -8.776 -18.048  -5.476
  141   HH12  ARG  14          2HH1      ARG  14  -7.597 -19.019  -4.659
  142   HH21  ARG  14          1HH2      ARG  14  -7.457 -16.976  -1.824
  143   HH22  ARG  14          2HH2      ARG  14  -6.849 -18.410  -2.581
  144    H    ASN  15           H        ASN  15  -9.947 -14.627 -10.663
  145    HA   ASN  15           HA       ASN  15 -12.880 -14.675 -10.883
  146    HB2  ASN  15          2HB       ASN  15 -10.794 -12.763 -11.756
  147    HB3  ASN  15          3HB       ASN  15 -12.127 -13.014 -12.879
  148   HD21  ASN  15          1HD2      ASN  15 -14.297 -13.245 -11.427
  149   HD22  ASN  15          2HD2      ASN  15 -14.562 -11.860 -10.429
  150    H    LEU  16           H        LEU  16 -10.155 -16.251 -11.948
  151    HA   LEU  16           HA       LEU  16 -11.492 -17.101 -14.433
  152    HB2  LEU  16          2HB       LEU  16  -8.608 -17.614 -14.158
  153    HB3  LEU  16          3HB       LEU  16  -9.541 -17.102 -15.563
  154    HG   LEU  16           HG       LEU  16  -8.643 -15.303 -13.312
  155   HD11  LEU  16          1HD1      LEU  16  -6.766 -16.074 -14.654
  156   HD12  LEU  16          2HD1      LEU  16  -7.100 -14.370 -14.963
  157   HD13  LEU  16          3HD1      LEU  16  -7.606 -15.594 -16.128
  158   HD21  LEU  16          1HD2      LEU  16  -9.269 -13.672 -15.356
  159   HD22  LEU  16          2HD2      LEU  16 -10.400 -14.109 -14.075
  160   HD23  LEU  16          3HD2      LEU  16 -10.446 -14.958 -15.621
  161    H    VAL  17           H        VAL  17 -10.472 -18.024 -11.362
  162    HA   VAL  17           HA       VAL  17 -10.910 -20.847 -12.036
  163    HB   VAL  17           HB       VAL  17  -8.726 -19.919 -10.168
  164   HG11  VAL  17          1HG1      VAL  17  -8.187 -22.503 -10.806
  165   HG12  VAL  17          2HG1      VAL  17  -9.055 -21.990  -9.357
  166   HG13  VAL  17          3HG1      VAL  17  -9.950 -22.515 -10.784
  167   HG21  VAL  17          1HG2      VAL  17  -8.515 -21.041 -12.961
  168   HG22  VAL  17          2HG2      VAL  17  -8.155 -19.384 -12.477
  169   HG23  VAL  17          3HG2      VAL  17  -7.160 -20.712 -11.880
  Start of MODEL   15
    1    H1   GLU   1           H        GLU   1   2.485  -0.158   0.507
    2    HA   GLU   1           HA       GLU   1   1.691   0.011  -2.295
    3    HB2  GLU   1          2HB       GLU   1   4.530  -0.302  -1.402
    4    HB3  GLU   1          3HB       GLU   1   3.889   0.565  -2.790
    5    HG2  GLU   1          2HG       GLU   1   3.006   2.292  -1.305
    6    HG3  GLU   1          3HG       GLU   1   3.657   1.425   0.084
    7    H    PHE   2           H        PHE   2   2.300  -2.346   0.022
    8    HA   PHE   2           HA       PHE   2   3.168  -4.327  -1.957
    9    HB2  PHE   2          2HB       PHE   2   4.194  -3.967   0.452
   10    HB3  PHE   2          3HB       PHE   2   2.841  -4.982   0.941
   11    HD1  PHE   2           HD1      PHE   2   6.009  -4.850  -0.861
   12    HD2  PHE   2           HD2      PHE   2   2.719  -7.306   0.263
   13    HE1  PHE   2           HE1      PHE   2   7.295  -6.853  -1.484
   14    HE2  PHE   2           HE2      PHE   2   4.000  -9.312  -0.358
   15    HZ   PHE   2           HZ       PHE   2   6.292  -9.088  -1.232
   16    H    LYS   3           H        LYS   3   0.360  -3.088  -1.142
   17    HA   LYS   3           HA       LYS   3  -1.077  -5.633  -0.869
   18    HB2  LYS   3          2HB       LYS   3  -3.058  -4.119  -0.416
   19    HB3  LYS   3          3HB       LYS   3  -1.778  -4.091   0.789
   20    HG2  LYS   3          2HG       LYS   3  -1.390  -2.091  -1.278
   21    HG3  LYS   3          3HG       LYS   3  -2.928  -1.905  -0.431
   22    HD2  LYS   3          2HD       LYS   3  -1.325  -2.333   1.671
   23    HD3  LYS   3          3HD       LYS   3  -0.156  -1.607   0.565
   24    HE2  LYS   3          2HE       LYS   3  -0.950   0.303   1.495
   25    HE3  LYS   3          3HE       LYS   3  -2.167   0.115   0.233
   26    HZ1  LYS   3          1HZ       LYS   3  -2.764   0.455   2.793
   27    HZ2  LYS   3          2HZ       LYS   3  -2.711  -1.234   2.750
   28    HZ3  LYS   3          3HZ       LYS   3  -3.760  -0.395   1.722
   29    H    ARG   4           H        ARG   4  -0.516  -2.968  -3.022
   30    HA   ARG   4           HA       ARG   4  -2.719  -3.508  -4.768
   31    HB2  ARG   4          2HB       ARG   4  -0.216  -2.032  -5.551
   32    HB3  ARG   4          3HB       ARG   4  -1.853  -1.808  -6.153
   33    HG2  ARG   4          2HG       ARG   4  -2.483  -0.992  -3.870
   34    HG3  ARG   4          3HG       ARG   4  -0.766  -1.024  -3.463
   35    HD2  ARG   4          2HD       ARG   4  -0.507   0.975  -4.391
   36    HD3  ARG   4          3HD       ARG   4  -1.050   0.329  -5.939
   37    HE   ARG   4           HE       ARG   4  -3.306   0.852  -4.382
   38   HH11  ARG   4          1HH1      ARG   4  -0.716   2.585  -5.933
   39   HH12  ARG   4          2HH1      ARG   4  -1.652   4.021  -6.184
   40   HH21  ARG   4          1HH2      ARG   4  -4.549   2.737  -4.706
   41   HH22  ARG   4          2HH2      ARG   4  -3.832   4.107  -5.484
   42    H    ILE   5           H        ILE   5   0.523  -4.685  -4.435
   43    HA   ILE   5           HA       ILE   5   0.709  -5.783  -7.082
   44    HB   ILE   5           HB       ILE   5   2.665  -7.070  -6.046
   45   HG12  ILE   5          2HG1      ILE   5   2.319  -5.077  -3.809
   46   HG13  ILE   5          3HG1      ILE   5   1.724  -6.729  -3.692
   47   HG21  ILE   5          1HG2      ILE   5   2.408  -4.155  -6.477
   48   HG22  ILE   5          2HG2      ILE   5   3.889  -4.722  -5.706
   49   HG23  ILE   5          3HG2      ILE   5   3.429  -5.338  -7.293
   50   HD11  ILE   5          1HD1      ILE   5   4.385  -5.701  -3.319
   51   HD12  ILE   5          2HD1      ILE   5   3.717  -7.281  -2.909
   52   HD13  ILE   5          3HD1      ILE   5   4.359  -6.988  -4.525
   53    H    VAL   6           H        VAL   6  -0.236  -6.948  -3.905
   54    HA   VAL   6           HA       VAL   6  -0.502  -9.685  -4.826
   55    HB   VAL   6           HB       VAL   6  -1.435 -10.076  -2.521
   56   HG11  VAL   6          1HG1      VAL   6   0.652 -10.373  -1.684
   57   HG12  VAL   6          2HG1      VAL   6   1.103  -9.999  -3.348
   58   HG13  VAL   6          3HG1      VAL   6   1.175  -8.744  -2.111
   59   HG21  VAL   6          1HG2      VAL   6  -0.532  -7.248  -2.003
   60   HG22  VAL   6          2HG2      VAL   6  -2.218  -7.717  -2.219
   61   HG23  VAL   6          3HG2      VAL   6  -1.292  -8.360  -0.864
   62    H    GLN   7           H        GLN   7  -2.516  -6.893  -4.274
   63    HA   GLN   7           HA       GLN   7  -5.006  -8.291  -4.315
   64    HB2  GLN   7          2HB       GLN   7  -5.048  -6.195  -3.241
   65    HB3  GLN   7          3HB       GLN   7  -4.230  -5.397  -4.578
   66    HG2  GLN   7          2HG       GLN   7  -6.133  -5.186  -5.805
   67    HG3  GLN   7          3HG       GLN   7  -6.874  -6.627  -5.111
   68   HE21  GLN   7          1HE2      GLN   7  -8.617  -6.151  -4.003
   69   HE22  GLN   7          2HE2      GLN   7  -8.850  -4.761  -3.005
   70    H    ARG   8           H        ARG   8  -2.798  -7.257  -6.716
   71    HA   ARG   8           HA       ARG   8  -4.745  -7.130  -8.849
   72    HB2  ARG   8          2HB       ARG   8  -2.917  -5.667  -9.136
   73    HB3  ARG   8          3HB       ARG   8  -1.746  -6.916  -8.734
   74    HG2  ARG   8          2HG       ARG   8  -1.782  -7.822 -10.821
   75    HG3  ARG   8          3HG       ARG   8  -3.452  -7.339 -11.123
   76    HD2  ARG   8          2HD       ARG   8  -2.321  -5.900 -12.511
   77    HD3  ARG   8          3HD       ARG   8  -2.451  -4.924 -11.049
   78    HE   ARG   8           HE       ARG   8  -0.053  -6.402 -10.994
   79   HH11  ARG   8          1HH1      ARG   8  -1.538  -3.708 -12.625
   80   HH12  ARG   8          2HH1      ARG   8  -0.035  -2.911 -12.954
   81   HH21  ARG   8          1HH2      ARG   8   1.932  -5.362 -11.421
   82   HH22  ARG   8          2HH2      ARG   8   1.938  -3.853 -12.270
   83    H    ILE   9           H        ILE   9  -2.882  -9.534  -7.297
   84    HA   ILE   9           HA       ILE   9  -3.224 -11.384  -9.556
   85    HB   ILE   9           HB       ILE   9  -1.697 -12.875  -8.117
   86   HG12  ILE   9          2HG1      ILE   9  -1.105 -10.187  -6.861
   87   HG13  ILE   9          3HG1      ILE   9  -1.920 -11.522  -6.055
   88   HG21  ILE   9          1HG2      ILE   9  -0.397 -10.370  -9.143
   89   HG22  ILE   9          2HG2      ILE   9   0.218 -12.022  -9.175
   90   HG23  ILE   9          3HG2      ILE   9  -1.125 -11.561 -10.221
   91   HD11  ILE   9          1HD1      ILE   9   0.510 -12.516  -7.096
   92   HD12  ILE   9          2HD1      ILE   9   0.856 -10.999  -6.266
   93   HD13  ILE   9          3HD1      ILE   9   0.038 -12.305  -5.410
   94    H    LYS  10           H        LYS  10  -3.926 -10.914  -6.143
   95    HA   LYS  10           HA       LYS  10  -4.992 -13.414  -5.530
   96    HB2  LYS  10          2HB       LYS  10  -4.665 -12.006  -3.699
   97    HB3  LYS  10          3HB       LYS  10  -5.471 -10.648  -4.473
   98    HG2  LYS  10          2HG       LYS  10  -7.114 -13.044  -3.919
   99    HG3  LYS  10          3HG       LYS  10  -6.593 -12.082  -2.534
  100    HD2  LYS  10          2HD       LYS  10  -7.506 -10.323  -4.587
  101    HD3  LYS  10          3HD       LYS  10  -8.726 -11.571  -4.323
  102    HE2  LYS  10          2HE       LYS  10  -9.387 -10.135  -2.700
  103    HE3  LYS  10          3HE       LYS  10  -8.155 -10.993  -1.778
  104    HZ1  LYS  10          1HZ       LYS  10  -7.157  -9.056  -1.472
  105    HZ2  LYS  10          2HZ       LYS  10  -8.253  -8.261  -2.486
  106    HZ3  LYS  10          3HZ       LYS  10  -6.854  -8.959  -3.133
  107    H    ASP  11           H        ASP  11  -6.291 -10.818  -7.417
  108    HA   ASP  11           HA       ASP  11  -8.906 -12.160  -7.529
  109    HB2  ASP  11          2HB       ASP  11  -8.207  -9.439  -7.283
  110    HB3  ASP  11          3HB       ASP  11  -8.862  -9.633  -8.906
  111    H    PHE  12           H        PHE  12  -6.123 -12.367  -9.074
  112    HA   PHE  12           HA       PHE  12  -7.131 -12.182 -11.803
  113    HB2  PHE  12          2HB       PHE  12  -4.953 -11.343 -11.689
  114    HB3  PHE  12          3HB       PHE  12  -4.420 -12.609 -10.588
  115    HD1  PHE  12           HD1      PHE  12  -5.815 -12.303 -14.037
  116    HD2  PHE  12           HD2      PHE  12  -3.027 -14.208 -11.447
  117    HE1  PHE  12           HE1      PHE  12  -4.918 -13.574 -15.944
  118    HE2  PHE  12           HE2      PHE  12  -2.125 -15.482 -13.349
  119    HZ   PHE  12           HZ       PHE  12  -3.070 -15.165 -15.601
  120    H    LEU  13           H        LEU  13  -6.622 -14.515  -9.341
  121    HA   LEU  13           HA       LEU  13  -7.088 -16.685 -11.281
  122    HB2  LEU  13          2HB       LEU  13  -5.786 -18.138 -10.033
  123    HB3  LEU  13          3HB       LEU  13  -4.889 -16.623  -9.956
  124    HG   LEU  13           HG       LEU  13  -6.436 -16.489  -7.702
  125   HD11  LEU  13          1HD1      LEU  13  -6.986 -18.484  -6.891
  126   HD12  LEU  13          2HD1      LEU  13  -5.397 -19.153  -7.258
  127   HD13  LEU  13          3HD1      LEU  13  -6.652 -19.135  -8.496
  128   HD21  LEU  13          1HD2      LEU  13  -3.837 -16.312  -8.289
  129   HD22  LEU  13          2HD2      LEU  13  -3.828 -17.868  -7.459
  130   HD23  LEU  13          3HD2      LEU  13  -4.437 -16.432  -6.635
  131    H    ARG  14           H        ARG  14  -8.128 -15.110  -8.387
  132    HA   ARG  14           HA       ARG  14  -9.918 -17.216  -7.566
  133    HB2  ARG  14          2HB       ARG  14  -9.506 -14.374  -6.646
  134    HB3  ARG  14          3HB       ARG  14 -10.768 -15.406  -5.988
  135    HG2  ARG  14          2HG       ARG  14  -8.061 -16.560  -6.002
  136    HG3  ARG  14          3HG       ARG  14  -8.305 -15.176  -4.935
  137    HD2  ARG  14          2HD       ARG  14 -10.364 -17.309  -4.902
  138    HD3  ARG  14          3HD       ARG  14  -8.801 -17.682  -4.177
  139    HE   ARG  14           HE       ARG  14 -10.813 -15.927  -3.136
  140   HH11  ARG  14          1HH1      ARG  14  -7.401 -16.613  -3.204
  141   HH12  ARG  14          2HH1      ARG  14  -7.085 -15.852  -1.680
  142   HH21  ARG  14          1HH2      ARG  14 -10.410 -14.922  -1.129
  143   HH22  ARG  14          2HH2      ARG  14  -8.798 -14.892  -0.500
  144    H    ASN  15           H        ASN  15  -9.980 -15.007 -10.026
  145    HA   ASN  15           HA       ASN  15 -12.927 -14.939 -10.044
  146    HB2  ASN  15          2HB       ASN  15 -11.561 -12.720  -9.858
  147    HB3  ASN  15          3HB       ASN  15 -11.263 -12.968 -11.576
  148   HD21  ASN  15          1HD2      ASN  15 -12.825 -12.502 -13.012
  149   HD22  ASN  15          2HD2      ASN  15 -14.394 -11.912 -12.592
  150    H    LEU  16           H        LEU  16 -10.260 -16.297 -11.449
  151    HA   LEU  16           HA       LEU  16 -11.754 -16.863 -13.919
  152    HB2  LEU  16          2HB       LEU  16  -8.760 -16.626 -13.818
  153    HB3  LEU  16          3HB       LEU  16  -9.795 -16.739 -15.240
  154    HG   LEU  16           HG       LEU  16  -9.568 -14.375 -13.379
  155   HD11  LEU  16          1HD1      LEU  16  -8.828 -14.486 -16.283
  156   HD12  LEU  16          2HD1      LEU  16  -7.676 -14.901 -15.015
  157   HD13  LEU  16          3HD1      LEU  16  -8.381 -13.286 -15.070
  158   HD21  LEU  16          1HD2      LEU  16 -11.673 -15.163 -15.130
  159   HD22  LEU  16          2HD2      LEU  16 -10.876 -13.741 -15.804
  160   HD23  LEU  16          3HD2      LEU  16 -11.527 -13.693 -14.165
  161    H    VAL  17           H        VAL  17  -8.711 -17.951 -12.409
  162    HA   VAL  17           HA       VAL  17  -9.760 -20.552 -11.822
  163    HB   VAL  17           HB       VAL  17  -9.416 -20.818 -14.232
  164   HG11  VAL  17          1HG1      VAL  17  -7.586 -19.095 -14.363
  165   HG12  VAL  17          2HG1      VAL  17  -6.487 -20.327 -13.739
  166   HG13  VAL  17          3HG1      VAL  17  -7.302 -20.572 -15.284
  167   HG21  VAL  17          1HG2      VAL  17  -9.010 -22.691 -12.625
  168   HG22  VAL  17          2HG2      VAL  17  -8.152 -22.845 -14.158
  169   HG23  VAL  17          3HG2      VAL  17  -7.289 -22.318 -12.714
  Start of MODEL   16
    1    H1   GLU   1           H        GLU   1   1.994  -0.114   0.372
    2    HA   GLU   1           HA       GLU   1   1.896   0.390  -2.524
    3    HB2  GLU   1          2HB       GLU   1   4.236   0.696  -2.505
    4    HB3  GLU   1          3HB       GLU   1   3.645   1.553  -1.088
    5    HG2  GLU   1          2HG       GLU   1   4.253  -0.410   0.294
    6    HG3  GLU   1          3HG       GLU   1   4.958  -1.153  -1.141
    7    H    PHE   2           H        PHE   2   2.346  -2.033  -0.090
    8    HA   PHE   2           HA       PHE   2   3.131  -4.014  -2.105
    9    HB2  PHE   2          2HB       PHE   2   4.242  -3.653   0.278
   10    HB3  PHE   2          3HB       PHE   2   2.922  -4.699   0.792
   11    HD1  PHE   2           HD1      PHE   2   2.931  -7.020   0.315
   12    HD2  PHE   2           HD2      PHE   2   5.911  -4.476  -1.347
   13    HE1  PHE   2           HE1      PHE   2   4.224  -8.995  -0.381
   14    HE2  PHE   2           HE2      PHE   2   7.208  -6.446  -2.047
   15    HZ   PHE   2           HZ       PHE   2   6.365  -8.709  -1.565
   16    H    LYS   3           H        LYS   3   0.366  -2.763  -1.181
   17    HA   LYS   3           HA       LYS   3  -1.075  -5.289  -0.804
   18    HB2  LYS   3          2HB       LYS   3  -3.034  -3.766  -0.339
   19    HB3  LYS   3          3HB       LYS   3  -1.707  -3.660   0.810
   20    HG2  LYS   3          2HG       LYS   3  -1.422  -1.772  -1.372
   21    HG3  LYS   3          3HG       LYS   3  -2.930  -1.556  -0.481
   22    HD2  LYS   3          2HD       LYS   3  -0.221  -1.762   0.825
   23    HD3  LYS   3          3HD       LYS   3  -0.994  -0.233   0.399
   24    HE2  LYS   3          2HE       LYS   3  -2.581  -0.424   2.033
   25    HE3  LYS   3          3HE       LYS   3  -2.551  -2.186   2.008
   26    HZ1  LYS   3          1HZ       LYS   3  -1.459  -1.854   3.940
   27    HZ2  LYS   3          2HZ       LYS   3  -0.888  -0.322   3.506
   28    HZ3  LYS   3          3HZ       LYS   3  -0.120  -1.709   2.916
   29    H    ARG   4           H        ARG   4  -0.598  -2.678  -3.055
   30    HA   ARG   4           HA       ARG   4  -2.837  -3.273  -4.723
   31    HB2  ARG   4          2HB       ARG   4  -0.320  -1.844  -5.569
   32    HB3  ARG   4          3HB       ARG   4  -1.936  -1.677  -6.242
   33    HG2  ARG   4          2HG       ARG   4  -2.642  -0.762  -3.999
   34    HG3  ARG   4          3HG       ARG   4  -0.927  -0.696  -3.589
   35    HD2  ARG   4          2HD       ARG   4  -0.606   1.143  -4.814
   36    HD3  ARG   4          3HD       ARG   4  -1.498   0.481  -6.183
   37    HE   ARG   4           HE       ARG   4  -3.205   1.328  -4.047
   38   HH11  ARG   4          1HH1      ARG   4  -1.412   2.394  -6.834
   39   HH12  ARG   4          2HH1      ARG   4  -2.415   3.780  -7.111
   40   HH21  ARG   4          1HH2      ARG   4  -4.532   3.149  -4.401
   41   HH22  ARG   4          2HH2      ARG   4  -4.189   4.209  -5.726
   42    H    ILE   5           H        ILE   5   0.539  -4.253  -4.645
   43    HA   ILE   5           HA       ILE   5   0.537  -5.550  -7.178
   44    HB   ILE   5           HB       ILE   5   2.583  -6.747  -6.208
   45   HG12  ILE   5          2HG1      ILE   5   2.352  -4.644  -4.060
   46   HG13  ILE   5          3HG1      ILE   5   1.780  -6.291  -3.817
   47   HG21  ILE   5          1HG2      ILE   5   2.969  -3.806  -6.013
   48   HG22  ILE   5          2HG2      ILE   5   3.910  -5.016  -6.885
   49   HG23  ILE   5          3HG2      ILE   5   2.360  -4.472  -7.529
   50   HD11  ILE   5          1HD1      ILE   5   3.821  -6.884  -3.226
   51   HD12  ILE   5          2HD1      ILE   5   4.406  -6.457  -4.835
   52   HD13  ILE   5          3HD1      ILE   5   4.408  -5.252  -3.547
   53    H    VAL   6           H        VAL   6  -0.198  -6.563  -3.898
   54    HA   VAL   6           HA       VAL   6  -0.413  -9.355  -4.621
   55    HB   VAL   6           HB       VAL   6   0.354  -8.718  -2.373
   56   HG11  VAL   6          1HG1      VAL   6  -2.463  -7.753  -1.902
   57   HG12  VAL   6          2HG1      VAL   6  -1.124  -7.739  -0.753
   58   HG13  VAL   6          3HG1      VAL   6  -1.079  -6.695  -2.174
   59   HG21  VAL   6          1HG2      VAL   6  -0.586 -10.895  -2.584
   60   HG22  VAL   6          2HG2      VAL   6  -1.213 -10.202  -1.089
   61   HG23  VAL   6          3HG2      VAL   6  -2.230 -10.259  -2.528
   62    H    GLN   7           H        GLN   7  -2.560  -6.633  -4.042
   63    HA   GLN   7           HA       GLN   7  -4.966  -8.168  -4.086
   64    HB2  GLN   7          2HB       GLN   7  -5.096  -6.098  -2.959
   65    HB3  GLN   7          3HB       GLN   7  -4.368  -5.228  -4.303
   66    HG2  GLN   7          2HG       GLN   7  -6.316  -5.140  -5.488
   67    HG3  GLN   7          3HG       GLN   7  -6.956  -6.611  -4.757
   68   HE21  GLN   7          1HE2      GLN   7  -6.932  -6.194  -2.155
   69   HE22  GLN   7          2HE2      GLN   7  -7.878  -4.817  -1.715
   70    H    ARG   8           H        ARG   8  -2.826  -7.098  -6.488
   71    HA   ARG   8           HA       ARG   8  -4.830  -7.011  -8.593
   72    HB2  ARG   8          2HB       ARG   8  -3.127  -5.397  -8.868
   73    HB3  ARG   8          3HB       ARG   8  -1.855  -6.561  -8.522
   74    HG2  ARG   8          2HG       ARG   8  -1.870  -7.419 -10.632
   75    HG3  ARG   8          3HG       ARG   8  -3.576  -7.049 -10.889
   76    HD2  ARG   8          2HD       ARG   8  -3.073  -5.117 -11.870
   77    HD3  ARG   8          3HD       ARG   8  -2.062  -4.632 -10.511
   78    HE   ARG   8           HE       ARG   8  -0.725  -6.517 -12.159
   79   HH11  ARG   8          1HH1      ARG   8  -1.658  -3.168 -11.979
   80   HH12  ARG   8          2HH1      ARG   8  -0.358  -2.616 -12.982
   81   HH21  ARG   8          1HH2      ARG   8   0.992  -5.803 -13.481
   82   HH22  ARG   8          2HH2      ARG   8   1.148  -4.116 -13.837
   83    H    ILE   9           H        ILE   9  -2.806  -9.296  -7.092
   84    HA   ILE   9           HA       ILE   9  -2.917 -11.103  -9.403
   85    HB   ILE   9           HB       ILE   9  -1.402 -12.551  -7.953
   86   HG12  ILE   9          2HG1      ILE   9  -1.133  -9.955  -6.420
   87   HG13  ILE   9          3HG1      ILE   9  -1.928 -11.405  -5.817
   88   HG21  ILE   9          1HG2      ILE   9   0.195 -10.162  -8.345
   89   HG22  ILE   9          2HG2      ILE   9   0.268 -11.718  -9.170
   90   HG23  ILE   9          3HG2      ILE   9  -0.871 -10.486  -9.712
   91   HD11  ILE   9          1HD1      ILE   9   0.072 -11.792  -4.888
   92   HD12  ILE   9          2HD1      ILE   9   0.481 -12.408  -6.490
   93   HD13  ILE   9          3HD1      ILE   9   0.925 -10.762  -6.039
   94    H    LYS  10           H        LYS  10  -3.874 -10.808  -6.026
   95    HA   LYS  10           HA       LYS  10  -4.861 -13.383  -5.607
   96    HB2  LYS  10          2HB       LYS  10  -6.160 -12.431  -3.791
   97    HB3  LYS  10          3HB       LYS  10  -4.560 -11.702  -3.823
   98    HG2  LYS  10          2HG       LYS  10  -5.851  -9.850  -3.504
   99    HG3  LYS  10          3HG       LYS  10  -5.771  -9.875  -5.267
  100    HD2  LYS  10          2HD       LYS  10  -7.974 -10.178  -5.445
  101    HD3  LYS  10          3HD       LYS  10  -7.955 -11.496  -4.270
  102    HE2  LYS  10          2HE       LYS  10  -7.726  -9.604  -2.518
  103    HE3  LYS  10          3HE       LYS  10  -8.301  -8.555  -3.813
  104    HZ1  LYS  10          1HZ       LYS  10  -9.975  -9.657  -2.185
  105    HZ2  LYS  10          2HZ       LYS  10  -9.792 -11.007  -3.187
  106    HZ3  LYS  10          3HZ       LYS  10 -10.351  -9.546  -3.831
  107    H    ASP  11           H        ASP  11  -6.253 -10.644  -7.272
  108    HA   ASP  11           HA       ASP  11  -8.773 -12.094  -7.648
  109    HB2  ASP  11          2HB       ASP  11  -8.010  -9.275  -7.550
  110    HB3  ASP  11          3HB       ASP  11  -9.046  -9.655  -8.924
  111    H    PHE  12           H        PHE  12  -5.911 -12.151  -9.061
  112    HA   PHE  12           HA       PHE  12  -6.813 -11.906 -11.826
  113    HB2  PHE  12          2HB       PHE  12  -4.691 -10.938 -11.557
  114    HB3  PHE  12          3HB       PHE  12  -4.123 -12.249 -10.528
  115    HD1  PHE  12           HD1      PHE  12  -2.540 -13.604 -11.464
  116    HD2  PHE  12           HD2      PHE  12  -5.511 -11.880 -13.977
  117    HE1  PHE  12           HE1      PHE  12  -1.514 -14.693 -13.417
  118    HE2  PHE  12           HE2      PHE  12  -4.491 -12.967 -15.935
  119    HZ   PHE  12           HZ       PHE  12  -2.490 -14.376 -15.656
  120    H    LEU  13           H        LEU  13  -6.284 -14.289  -9.423
  121    HA   LEU  13           HA       LEU  13  -6.511 -16.414 -11.451
  122    HB2  LEU  13          2HB       LEU  13  -5.623 -17.802  -9.380
  123    HB3  LEU  13          3HB       LEU  13  -4.536 -16.990 -10.504
  124    HG   LEU  13           HG       LEU  13  -4.352 -15.109  -8.908
  125   HD11  LEU  13          1HD1      LEU  13  -6.177 -16.856  -7.294
  126   HD12  LEU  13          2HD1      LEU  13  -6.328 -15.139  -7.670
  127   HD13  LEU  13          3HD1      LEU  13  -5.101 -15.687  -6.528
  128   HD21  LEU  13          1HD2      LEU  13  -3.647 -17.846  -7.860
  129   HD22  LEU  13          2HD2      LEU  13  -3.002 -16.331  -7.227
  130   HD23  LEU  13          3HD2      LEU  13  -2.654 -16.814  -8.888
  131    H    ARG  14           H        ARG  14  -7.935 -14.900  -8.746
  132    HA   ARG  14           HA       ARG  14  -9.575 -17.147  -7.971
  133    HB2  ARG  14          2HB       ARG  14  -9.371 -14.279  -7.116
  134    HB3  ARG  14          3HB       ARG  14 -10.761 -15.245  -6.639
  135    HG2  ARG  14          2HG       ARG  14  -8.042 -16.344  -6.158
  136    HG3  ARG  14          3HG       ARG  14  -8.633 -15.052  -5.112
  137    HD2  ARG  14          2HD       ARG  14  -9.660 -16.637  -3.931
  138    HD3  ARG  14          3HD       ARG  14 -10.770 -16.802  -5.290
  139    HE   ARG  14           HE       ARG  14  -9.810 -18.817  -5.774
  140   HH11  ARG  14          1HH1      ARG  14  -7.675 -17.021  -3.691
  141   HH12  ARG  14          2HH1      ARG  14  -6.569 -18.337  -3.472
  142   HH21  ARG  14          1HH2      ARG  14  -8.361 -20.557  -5.494
  143   HH22  ARG  14          2HH2      ARG  14  -6.960 -20.347  -4.500
  144    H    ASN  15           H        ASN  15  -9.623 -15.038 -10.521
  145    HA   ASN  15           HA       ASN  15 -12.558 -15.082 -10.730
  146    HB2  ASN  15          2HB       ASN  15 -10.456 -13.235 -11.790
  147    HB3  ASN  15          3HB       ASN  15 -11.966 -13.405 -12.679
  148   HD21  ASN  15          1HD2      ASN  15 -12.223 -11.136 -12.177
  149   HD22  ASN  15          2HD2      ASN  15 -12.887 -10.677 -10.650
  150    H    LEU  16           H        LEU  16  -9.845 -16.679 -11.784
  151    HA   LEU  16           HA       LEU  16 -11.185 -17.539 -14.264
  152    HB2  LEU  16          2HB       LEU  16  -8.305 -18.074 -13.980
  153    HB3  LEU  16          3HB       LEU  16  -9.232 -17.565 -15.390
  154    HG   LEU  16           HG       LEU  16  -8.324 -15.756 -13.151
  155   HD11  LEU  16          1HD1      LEU  16  -6.457 -16.570 -14.497
  156   HD12  LEU  16          2HD1      LEU  16  -6.757 -14.857 -14.785
  157   HD13  LEU  16          3HD1      LEU  16  -7.285 -16.055 -15.966
  158   HD21  LEU  16          1HD2      LEU  16 -10.113 -15.414 -15.473
  159   HD22  LEU  16          2HD2      LEU  16  -8.930 -14.134 -15.206
  160   HD23  LEU  16          3HD2      LEU  16 -10.073 -14.558 -13.931
  161    H    VAL  17           H        VAL  17 -10.178 -18.447 -11.184
  162    HA   VAL  17           HA       VAL  17  -9.761 -20.471 -10.161
  163    HB   VAL  17           HB       VAL  17 -12.243 -20.320 -10.402
  164   HG11  VAL  17          1HG1      VAL  17 -13.322 -21.806 -12.060
  165   HG12  VAL  17          2HG1      VAL  17 -12.441 -20.469 -12.802
  166   HG13  VAL  17          3HG1      VAL  17 -11.743 -22.089 -12.793
  167   HG21  VAL  17          1HG2      VAL  17 -11.603 -23.208 -10.639
  168   HG22  VAL  17          2HG2      VAL  17 -10.792 -22.290  -9.369
  169   HG23  VAL  17          3HG2      VAL  17 -12.553 -22.354  -9.423
  Start of MODEL   17
    1    H1   GLU   1           H        GLU   1   2.439  -0.501   0.727
    2    HA   GLU   1           HA       GLU   1   2.013   0.125  -2.117
    3    HB2  GLU   1          2HB       GLU   1   4.716  -0.483  -0.993
    4    HB3  GLU   1          3HB       GLU   1   4.278   0.540  -2.354
    5    HG2  GLU   1          2HG       GLU   1   3.833   1.194   0.550
    6    HG3  GLU   1          3HG       GLU   1   5.114   1.842  -0.473
    7    H    PHE   2           H        PHE   2   2.263  -2.409   0.100
    8    HA   PHE   2           HA       PHE   2   3.013  -4.326  -2.000
    9    HB2  PHE   2          2HB       PHE   2   4.146  -4.127   0.407
   10    HB3  PHE   2          3HB       PHE   2   2.799  -5.172   0.846
   11    HD1  PHE   2           HD1      PHE   2   2.601  -7.413  -0.109
   12    HD2  PHE   2           HD2      PHE   2   5.947  -4.920  -0.950
   13    HE1  PHE   2           HE1      PHE   2   3.844  -9.367  -0.940
   14    HE2  PHE   2           HE2      PHE   2   7.194  -6.870  -1.783
   15    HZ   PHE   2           HZ       PHE   2   6.143  -9.097  -1.779
   16    H    LYS   3           H        LYS   3   0.329  -2.980  -1.000
   17    HA   LYS   3           HA       LYS   3  -1.244  -5.426  -0.661
   18    HB2  LYS   3          2HB       LYS   3  -2.575  -2.779  -0.659
   19    HB3  LYS   3          3HB       LYS   3  -2.834  -4.171   0.385
   20    HG2  LYS   3          2HG       LYS   3  -1.881  -2.829   1.918
   21    HG3  LYS   3          3HG       LYS   3  -0.389  -3.451   1.210
   22    HD2  LYS   3          2HD       LYS   3   0.041  -1.204   1.137
   23    HD3  LYS   3          3HD       LYS   3  -0.727  -1.419  -0.438
   24    HE2  LYS   3          2HE       LYS   3  -2.390  -0.051   0.117
   25    HE3  LYS   3          3HE       LYS   3  -2.706  -0.951   1.600
   26    HZ1  LYS   3          1HZ       LYS   3  -2.155   1.216   2.262
   27    HZ2  LYS   3          2HZ       LYS   3  -0.838   1.311   1.205
   28    HZ3  LYS   3          3HZ       LYS   3  -0.762   0.305   2.563
   29    H    ARG   4           H        ARG   4  -0.816  -2.691  -2.832
   30    HA   ARG   4           HA       ARG   4  -2.998  -3.330  -4.545
   31    HB2  ARG   4          2HB       ARG   4  -1.855  -1.769  -6.140
   32    HB3  ARG   4          3HB       ARG   4  -2.176  -1.084  -4.552
   33    HG2  ARG   4          2HG       ARG   4   0.398  -2.256  -4.472
   34    HG3  ARG   4          3HG       ARG   4   0.290  -1.282  -5.939
   35    HD2  ARG   4          2HD       ARG   4  -0.231  -0.390  -3.108
   36    HD3  ARG   4          3HD       ARG   4   1.098   0.105  -4.156
   37    HE   ARG   4           HE       ARG   4  -1.593   1.119  -4.168
   38   HH11  ARG   4          1HH1      ARG   4   1.320   0.687  -6.024
   39   HH12  ARG   4          2HH1      ARG   4   0.979   1.995  -7.108
   40   HH21  ARG   4          1HH2      ARG   4  -2.054   2.844  -5.589
   41   HH22  ARG   4          2HH2      ARG   4  -0.940   3.222  -6.859
   42    H    ILE   5           H        ILE   5   0.363  -4.280  -4.393
   43    HA   ILE   5           HA       ILE   5   0.453  -5.446  -7.003
   44    HB   ILE   5           HB       ILE   5   2.523  -6.614  -6.047
   45   HG12  ILE   5          2HG1      ILE   5   2.272  -4.581  -3.845
   46   HG13  ILE   5          3HG1      ILE   5   1.628  -6.208  -3.648
   47   HG21  ILE   5          1HG2      ILE   5   2.119  -3.695  -6.441
   48   HG22  ILE   5          2HG2      ILE   5   3.684  -4.253  -5.852
   49   HG23  ILE   5          3HG2      ILE   5   3.059  -4.846  -7.391
   50   HD11  ILE   5          1HD1      ILE   5   3.630  -6.927  -3.067
   51   HD12  ILE   5          2HD1      ILE   5   4.279  -6.423  -4.628
   52   HD13  ILE   5          3HD1      ILE   5   4.275  -5.298  -3.269
   53    H    VAL   6           H        VAL   6  -0.293  -6.599  -3.772
   54    HA   VAL   6           HA       VAL   6  -0.426  -9.367  -4.614
   55    HB   VAL   6           HB       VAL   6   0.338  -8.791  -2.340
   56   HG11  VAL   6          1HG1      VAL   6  -2.517  -7.952  -1.847
   57   HG12  VAL   6          2HG1      VAL   6  -1.205  -7.982  -0.668
   58   HG13  VAL   6          3HG1      VAL   6  -1.153  -6.846  -2.017
   59   HG21  VAL   6          1HG2      VAL   6  -1.111 -10.417  -1.129
   60   HG22  VAL   6          2HG2      VAL   6  -2.193 -10.421  -2.521
   61   HG23  VAL   6          3HG2      VAL   6  -0.535 -10.997  -2.692
   62    H    GLN   7           H        GLN   7  -2.626  -6.715  -3.950
   63    HA   GLN   7           HA       GLN   7  -5.000  -8.305  -4.026
   64    HB2  GLN   7          2HB       GLN   7  -5.171  -6.282  -2.823
   65    HB3  GLN   7          3HB       GLN   7  -4.469  -5.346  -4.136
   66    HG2  GLN   7          2HG       GLN   7  -6.422  -5.260  -5.312
   67    HG3  GLN   7          3HG       GLN   7  -7.028  -6.768  -4.630
   68   HE21  GLN   7          1HE2      GLN   7  -7.400  -6.633  -2.191
   69   HE22  GLN   7          2HE2      GLN   7  -8.218  -5.218  -1.632
   70    H    ARG   8           H        ARG   8  -2.895  -7.103  -6.396
   71    HA   ARG   8           HA       ARG   8  -4.911  -6.984  -8.488
   72    HB2  ARG   8          2HB       ARG   8  -3.249  -5.320  -8.709
   73    HB3  ARG   8          3HB       ARG   8  -1.948  -6.465  -8.414
   74    HG2  ARG   8          2HG       ARG   8  -1.951  -7.238 -10.554
   75    HG3  ARG   8          3HG       ARG   8  -3.669  -6.908 -10.788
   76    HD2  ARG   8          2HD       ARG   8  -1.987  -4.538 -10.348
   77    HD3  ARG   8          3HD       ARG   8  -1.658  -5.421 -11.838
   78    HE   ARG   8           HE       ARG   8  -3.939  -3.806 -11.273
   79   HH11  ARG   8          1HH1      ARG   8  -2.858  -6.615 -13.023
   80   HH12  ARG   8          2HH1      ARG   8  -4.092  -6.497 -14.234
   81   HH21  ARG   8          1HH2      ARG   8  -5.568  -3.639 -12.861
   82   HH22  ARG   8          2HH2      ARG   8  -5.632  -4.803 -14.141
   83    H    ILE   9           H        ILE   9  -2.817  -9.270  -7.084
   84    HA   ILE   9           HA       ILE   9  -2.885 -10.991  -9.459
   85    HB   ILE   9           HB       ILE   9  -1.349 -12.461  -8.051
   86   HG12  ILE   9          2HG1      ILE   9  -1.128  -9.913  -6.433
   87   HG13  ILE   9          3HG1      ILE   9  -1.914 -11.388  -5.882
   88   HG21  ILE   9          1HG2      ILE   9  -0.857 -10.286  -9.713
   89   HG22  ILE   9          2HG2      ILE   9   0.229 -10.060  -8.343
   90   HG23  ILE   9          3HG2      ILE   9   0.280 -11.560  -9.270
   91   HD11  ILE   9          1HD1      ILE   9   0.078 -11.801  -4.955
   92   HD12  ILE   9          2HD1      ILE   9   0.517 -12.339  -6.576
   93   HD13  ILE   9          3HD1      ILE   9   0.930 -10.709  -6.046
   94    H    LYS  10           H        LYS  10  -3.881 -10.840  -6.086
   95    HA   LYS  10           HA       LYS  10  -4.820 -13.460  -5.796
   96    HB2  LYS  10          2HB       LYS  10  -6.115 -12.623  -3.920
   97    HB3  LYS  10          3HB       LYS  10  -4.520 -11.882  -3.921
   98    HG2  LYS  10          2HG       LYS  10  -5.811 -10.057  -3.494
   99    HG3  LYS  10          3HG       LYS  10  -5.762  -9.989  -5.257
  100    HD2  LYS  10          2HD       LYS  10  -7.966 -10.307  -5.415
  101    HD3  LYS  10          3HD       LYS  10  -7.919 -11.673  -4.298
  102    HE2  LYS  10          2HE       LYS  10  -7.574  -9.696  -2.543
  103    HE3  LYS  10          3HE       LYS  10  -8.456  -8.802  -3.781
  104    HZ1  LYS  10          1HZ       LYS  10 -10.291 -10.226  -3.588
  105    HZ2  LYS  10          2HZ       LYS  10  -9.827  -9.905  -1.994
  106    HZ3  LYS  10          3HZ       LYS  10  -9.426 -11.385  -2.709
  107    H    ASP  11           H        ASP  11  -6.239 -10.653  -7.311
  108    HA   ASP  11           HA       ASP  11  -8.755 -12.096  -7.739
  109    HB2  ASP  11          2HB       ASP  11  -8.118  -9.364  -7.267
  110    HB3  ASP  11          3HB       ASP  11  -8.807  -9.479  -8.884
  111    H    PHE  12           H        PHE  12  -5.903 -12.064  -9.174
  112    HA   PHE  12           HA       PHE  12  -6.830 -11.685 -11.915
  113    HB2  PHE  12          2HB       PHE  12  -4.724 -10.716 -11.675
  114    HB3  PHE  12          3HB       PHE  12  -4.139 -12.009 -10.634
  115    HD1  PHE  12           HD1      PHE  12  -5.422 -11.578 -14.113
  116    HD2  PHE  12           HD2      PHE  12  -2.601 -13.447 -11.531
  117    HE1  PHE  12           HE1      PHE  12  -4.362 -12.654 -16.055
  118    HE2  PHE  12           HE2      PHE  12  -1.537 -14.526 -13.469
  119    HZ   PHE  12           HZ       PHE  12  -2.416 -14.129 -15.735
  120    H    LEU  13           H        LEU  13  -6.240 -14.181  -9.640
  121    HA   LEU  13           HA       LEU  13  -6.471 -16.203 -11.771
  122    HB2  LEU  13          2HB       LEU  13  -5.120 -17.659 -10.593
  123    HB3  LEU  13          3HB       LEU  13  -4.352 -16.098 -10.311
  124    HG   LEU  13           HG       LEU  13  -6.026 -16.304  -8.159
  125   HD11  LEU  13          1HD1      LEU  13  -5.232 -18.701  -7.371
  126   HD12  LEU  13          2HD1      LEU  13  -5.318 -19.027  -9.102
  127   HD13  LEU  13          3HD1      LEU  13  -6.748 -18.461  -8.239
  128   HD21  LEU  13          1HD2      LEU  13  -3.633 -17.441  -7.319
  129   HD22  LEU  13          2HD2      LEU  13  -4.032 -15.723  -7.362
  130   HD23  LEU  13          3HD2      LEU  13  -3.196 -16.470  -8.725
  131    H    ARG  14           H        ARG  14  -7.768 -14.940  -8.833
  132    HA   ARG  14           HA       ARG  14  -9.398 -17.211  -8.197
  133    HB2  ARG  14          2HB       ARG  14  -9.288 -14.368  -7.222
  134    HB3  ARG  14          3HB       ARG  14 -10.579 -15.451  -6.721
  135    HG2  ARG  14          2HG       ARG  14  -7.692 -16.188  -6.395
  136    HG3  ARG  14          3HG       ARG  14  -8.554 -15.227  -5.192
  137    HD2  ARG  14          2HD       ARG  14  -9.487 -17.916  -6.180
  138    HD3  ARG  14          3HD       ARG  14  -8.498 -17.691  -4.737
  139    HE   ARG  14           HE       ARG  14 -11.310 -17.179  -5.007
  140   HH11  ARG  14          1HH1      ARG  14  -8.413 -16.352  -3.261
  141   HH12  ARG  14          2HH1      ARG  14  -9.262 -15.820  -1.847
  142   HH21  ARG  14          1HH2      ARG  14 -12.438 -16.482  -3.151
  143   HH22  ARG  14          2HH2      ARG  14 -11.550 -15.896  -1.785
  144    H    ASN  15           H        ASN  15  -9.539 -14.980 -10.639
  145    HA   ASN  15           HA       ASN  15 -12.475 -15.057 -10.787
  146    HB2  ASN  15          2HB       ASN  15 -10.660 -12.951 -11.178
  147    HB3  ASN  15          3HB       ASN  15 -11.236 -13.376 -12.787
  148   HD21  ASN  15          1HD2      ASN  15 -11.959 -11.857  -9.833
  149   HD22  ASN  15          2HD2      ASN  15 -13.584 -11.398 -10.196
  150    H    LEU  16           H        LEU  16  -9.767 -16.577 -11.971
  151    HA   LEU  16           HA       LEU  16 -11.166 -17.368 -14.441
  152    HB2  LEU  16          2HB       LEU  16  -8.269 -17.856 -14.263
  153    HB3  LEU  16          3HB       LEU  16  -9.248 -17.318 -15.626
  154    HG   LEU  16           HG       LEU  16  -8.333 -15.559 -13.352
  155   HD11  LEU  16          1HD1      LEU  16  -6.795 -14.591 -14.978
  156   HD12  LEU  16          2HD1      LEU  16  -7.304 -15.779 -16.177
  157   HD13  LEU  16          3HD1      LEU  16  -6.457 -16.303 -14.722
  158   HD21  LEU  16          1HD2      LEU  16  -9.373 -14.596 -15.978
  159   HD22  LEU  16          2HD2      LEU  16  -9.347 -13.785 -14.412
  160   HD23  LEU  16          3HD2      LEU  16 -10.506 -15.080 -14.716
  161    H    VAL  17           H        VAL  17 -10.056 -18.368 -11.429
  162    HA   VAL  17           HA       VAL  17 -10.458 -21.178 -12.181
  163    HB   VAL  17           HB       VAL  17  -8.250 -20.200 -10.365
  164   HG11  VAL  17          1HG1      VAL  17  -8.212 -22.240  -9.494
  165   HG12  VAL  17          2HG1      VAL  17  -9.601 -22.697 -10.482
  166   HG13  VAL  17          3HG1      VAL  17  -7.965 -22.924 -11.100
  167   HG21  VAL  17          1HG2      VAL  17  -7.291 -19.836 -12.388
  168   HG22  VAL  17          2HG2      VAL  17  -6.975 -21.567 -12.274
  169   HG23  VAL  17          3HG2      VAL  17  -8.344 -20.981 -13.218
  Start of MODEL   18
    1    H1   GLU   1           H        GLU   1   0.511   0.196   0.787
    2    HA   GLU   1           HA       GLU   1   1.089   0.210  -1.426
    3    HB2  GLU   1          2HB       GLU   1   3.963   0.057  -0.636
    4    HB3  GLU   1          3HB       GLU   1   3.178   1.112  -1.803
    5    HG2  GLU   1          2HG       GLU   1   2.187   2.394   0.030
    6    HG3  GLU   1          3HG       GLU   1   2.995   1.345   1.193
    7    H    PHE   2           H        PHE   2   1.808  -2.433   0.447
    8    HA   PHE   2           HA       PHE   2   2.873  -3.964  -1.828
    9    HB2  PHE   2          2HB       PHE   2   4.038  -3.875   0.511
   10    HB3  PHE   2          3HB       PHE   2   2.785  -5.020   0.978
   11    HD1  PHE   2           HD1      PHE   2   5.646  -4.467  -1.277
   12    HD2  PHE   2           HD2      PHE   2   2.873  -7.285   0.300
   13    HE1  PHE   2           HE1      PHE   2   6.983  -6.305  -2.220
   14    HE2  PHE   2           HE2      PHE   2   4.206  -9.127  -0.640
   15    HZ   PHE   2           HZ       PHE   2   6.264  -8.639  -1.900
   16    H    LYS   3           H        LYS   3   0.002  -3.184  -0.714
   17    HA   LYS   3           HA       LYS   3  -1.145  -5.886  -0.788
   18    HB2  LYS   3          2HB       LYS   3  -3.243  -4.691  -0.020
   19    HB3  LYS   3          3HB       LYS   3  -1.904  -4.702   1.121
   20    HG2  LYS   3          2HG       LYS   3  -1.996  -2.383  -0.683
   21    HG3  LYS   3          3HG       LYS   3  -3.329  -2.509   0.468
   22    HD2  LYS   3          2HD       LYS   3  -0.507  -2.868   1.395
   23    HD3  LYS   3          3HD       LYS   3  -1.155  -1.246   1.143
   24    HE2  LYS   3          2HE       LYS   3  -3.092  -1.949   2.624
   25    HE3  LYS   3          3HE       LYS   3  -2.132  -3.369   3.038
   26    HZ1  LYS   3          1HZ       LYS   3  -1.968  -0.783   4.110
   27    HZ2  LYS   3          2HZ       LYS   3  -0.506  -1.118   3.327
   28    HZ3  LYS   3          3HZ       LYS   3  -1.074  -2.155   4.536
   29    H    ARG   4           H        ARG   4  -0.996  -2.873  -2.510
   30    HA   ARG   4           HA       ARG   4  -3.234  -3.341  -4.214
   31    HB2  ARG   4          2HB       ARG   4  -2.309  -1.492  -5.563
   32    HB3  ARG   4          3HB       ARG   4  -2.410  -1.085  -3.855
   33    HG2  ARG   4          2HG       ARG   4   0.019  -1.682  -3.669
   34    HG3  ARG   4          3HG       ARG   4   0.047  -1.805  -5.429
   35    HD2  ARG   4          2HD       ARG   4  -1.116   0.608  -5.137
   36    HD3  ARG   4          3HD       ARG   4  -0.111   0.573  -3.689
   37    HE   ARG   4           HE       ARG   4   1.585  -0.185  -5.669
   38   HH11  ARG   4          1HH1      ARG   4  -0.538   2.536  -5.209
   39   HH12  ARG   4          2HH1      ARG   4   0.448   3.627  -6.125
   40   HH21  ARG   4          1HH2      ARG   4   2.892   1.242  -6.877
   41   HH22  ARG   4          2HH2      ARG   4   2.398   2.889  -7.074
   42    H    ILE   5           H        ILE   5   0.147  -4.200  -4.292
   43    HA   ILE   5           HA       ILE   5   0.221  -4.935  -7.050
   44    HB   ILE   5           HB       ILE   5   2.312  -6.217  -6.315
   45   HG12  ILE   5          2HG1      ILE   5   1.977  -4.602  -3.790
   46   HG13  ILE   5          3HG1      ILE   5   1.487  -6.289  -3.892
   47   HG21  ILE   5          1HG2      ILE   5   2.079  -3.245  -5.871
   48   HG22  ILE   5          2HG2      ILE   5   3.602  -4.115  -6.043
   49   HG23  ILE   5          3HG2      ILE   5   2.457  -4.069  -7.384
   50   HD11  ILE   5          1HD1      ILE   5   4.081  -6.246  -4.883
   51   HD12  ILE   5          2HD1      ILE   5   4.099  -5.156  -3.495
   52   HD13  ILE   5          3HD1      ILE   5   3.550  -6.821  -3.302
   53    H    VAL   6           H        VAL   6  -0.448  -6.625  -4.040
   54    HA   VAL   6           HA       VAL   6  -0.598  -9.205  -5.353
   55    HB   VAL   6           HB       VAL   6  -1.369  -9.995  -3.086
   56   HG11  VAL   6          1HG1      VAL   6   1.100  -9.647  -4.029
   57   HG12  VAL   6          2HG1      VAL   6   1.189  -8.573  -2.631
   58   HG13  VAL   6          3HG1      VAL   6   0.781 -10.276  -2.413
   59   HG21  VAL   6          1HG2      VAL   6  -2.264  -7.776  -2.380
   60   HG22  VAL   6          2HG2      VAL   6  -1.196  -8.531  -1.197
   61   HG23  VAL   6          3HG2      VAL   6  -0.600  -7.215  -2.210
   62    H    GLN   7           H        GLN   7  -2.761  -6.710  -4.195
   63    HA   GLN   7           HA       GLN   7  -5.145  -8.264  -4.371
   64    HB2  GLN   7          2HB       GLN   7  -5.243  -6.387  -2.942
   65    HB3  GLN   7          3HB       GLN   7  -4.597  -5.311  -4.174
   66    HG2  GLN   7          2HG       GLN   7  -6.603  -5.080  -5.229
   67    HG3  GLN   7          3HG       GLN   7  -7.181  -6.665  -4.716
   68   HE21  GLN   7          1HE2      GLN   7  -8.259  -6.870  -2.805
   69   HE22  GLN   7          2HE2      GLN   7  -8.734  -5.528  -1.828
   70    H    ARG   8           H        ARG   8  -3.143  -6.780  -6.678
   71    HA   ARG   8           HA       ARG   8  -5.215  -6.348  -8.648
   72    HB2  ARG   8          2HB       ARG   8  -3.562  -5.420 -10.002
   73    HB3  ARG   8          3HB       ARG   8  -3.009  -5.027  -8.380
   74    HG2  ARG   8          2HG       ARG   8  -1.052  -5.830  -9.117
   75    HG3  ARG   8          3HG       ARG   8  -1.776  -7.401  -8.765
   76    HD2  ARG   8          2HD       ARG   8  -2.098  -7.898 -10.963
   77    HD3  ARG   8          3HD       ARG   8  -2.334  -6.212 -11.421
   78    HE   ARG   8           HE       ARG   8   0.343  -6.608 -10.647
   79   HH11  ARG   8          1HH1      ARG   8  -1.870  -7.400 -13.215
   80   HH12  ARG   8          2HH1      ARG   8  -0.633  -7.506 -14.424
   81   HH21  ARG   8          1HH2      ARG   8   1.980  -6.744 -12.229
   82   HH22  ARG   8          2HH2      ARG   8   1.556  -7.133 -13.862
   83    H    ILE   9           H        ILE   9  -3.254  -8.936  -7.608
   84    HA   ILE   9           HA       ILE   9  -3.801 -10.421 -10.094
   85    HB   ILE   9           HB       ILE   9  -2.012 -11.995  -8.796
   86   HG12  ILE   9          2HG1      ILE   9  -1.009  -9.189  -8.326
   87   HG13  ILE   9          3HG1      ILE   9  -1.813 -10.122  -7.068
   88   HG21  ILE   9          1HG2      ILE   9  -0.982  -9.765 -10.495
   89   HG22  ILE   9          2HG2      ILE   9  -0.562 -11.477 -10.515
   90   HG23  ILE   9          3HG2      ILE   9  -2.107 -10.941 -11.174
   91   HD11  ILE   9          1HD1      ILE   9  -0.037 -11.473  -6.750
   92   HD12  ILE   9          2HD1      ILE   9   0.438 -11.436  -8.448
   93   HD13  ILE   9          3HD1      ILE   9   0.830 -10.078  -7.393
   94    H    LYS  10           H        LYS  10  -4.299 -10.288  -6.678
   95    HA   LYS  10           HA       LYS  10  -4.935 -12.915  -6.060
   96    HB2  LYS  10          2HB       LYS  10  -5.799 -12.099  -4.104
   97    HB3  LYS  10          3HB       LYS  10  -4.886 -10.688  -4.621
   98    HG2  LYS  10          2HG       LYS  10  -6.991  -9.814  -5.654
   99    HG3  LYS  10          3HG       LYS  10  -7.846 -11.151  -4.882
  100    HD2  LYS  10          2HD       LYS  10  -6.090  -9.524  -3.144
  101    HD3  LYS  10          3HD       LYS  10  -7.552  -8.738  -3.745
  102    HE2  LYS  10          2HE       LYS  10  -7.784 -11.479  -2.613
  103    HE3  LYS  10          3HE       LYS  10  -7.543 -10.134  -1.499
  104    HZ1  LYS  10          1HZ       LYS  10  -9.480  -9.193  -3.102
  105    HZ2  LYS  10          2HZ       LYS  10  -9.756  -9.959  -1.620
  106    HZ3  LYS  10          3HZ       LYS  10  -9.867 -10.840  -3.060
  107    H    ASP  11           H        ASP  11  -6.918 -10.423  -7.578
  108    HA   ASP  11           HA       ASP  11  -9.155 -12.292  -7.807
  109    HB2  ASP  11          2HB       ASP  11  -8.845  -9.333  -8.114
  110    HB3  ASP  11          3HB       ASP  11 -10.175 -10.139  -8.941
  111    H    PHE  12           H        PHE  12  -6.442 -11.965  -9.420
  112    HA   PHE  12           HA       PHE  12  -7.562 -11.878 -12.116
  113    HB2  PHE  12          2HB       PHE  12  -5.571 -10.592 -11.896
  114    HB3  PHE  12          3HB       PHE  12  -4.735 -11.898 -11.063
  115    HD1  PHE  12           HD1      PHE  12  -6.473 -11.305 -14.314
  116    HD2  PHE  12           HD2      PHE  12  -3.187 -13.076 -12.269
  117    HE1  PHE  12           HE1      PHE  12  -5.560 -12.083 -16.462
  118    HE2  PHE  12           HE2      PHE  12  -2.268 -13.856 -14.414
  119    HZ   PHE  12           HZ       PHE  12  -3.454 -13.358 -16.514
  120    H    LEU  13           H        LEU  13  -6.537 -14.127  -9.749
  121    HA   LEU  13           HA       LEU  13  -6.625 -16.291 -11.747
  122    HB2  LEU  13          2HB       LEU  13  -5.341 -17.441  -9.672
  123    HB3  LEU  13          3HB       LEU  13  -4.534 -16.679 -11.042
  124    HG   LEU  13           HG       LEU  13  -4.365 -14.589  -9.684
  125   HD11  LEU  13          1HD1      LEU  13  -6.125 -15.993  -7.986
  126   HD12  LEU  13          2HD1      LEU  13  -5.442 -14.384  -7.759
  127   HD13  LEU  13          3HD1      LEU  13  -4.606 -15.795  -7.111
  128   HD21  LEU  13          1HD2      LEU  13  -2.985 -17.136  -9.161
  129   HD22  LEU  13          2HD2      LEU  13  -2.766 -15.887  -7.935
  130   HD23  LEU  13          3HD2      LEU  13  -2.334 -15.560  -9.614
  131    H    ARG  14           H        ARG  14  -8.042 -14.926  -8.996
  132    HA   ARG  14           HA       ARG  14  -9.197 -17.385  -7.995
  133    HB2  ARG  14          2HB       ARG  14  -9.292 -14.507  -7.195
  134    HB3  ARG  14          3HB       ARG  14 -10.552 -15.589  -6.621
  135    HG2  ARG  14          2HG       ARG  14  -8.567 -17.087  -5.876
  136    HG3  ARG  14          3HG       ARG  14  -7.632 -15.596  -6.013
  137    HD2  ARG  14          2HD       ARG  14  -8.372 -15.783  -3.753
  138    HD3  ARG  14          3HD       ARG  14  -9.311 -14.502  -4.520
  139    HE   ARG  14           HE       ARG  14 -10.744 -16.881  -4.768
  140   HH11  ARG  14          1HH1      ARG  14  -9.653 -14.718  -2.268
  141   HH12  ARG  14          2HH1      ARG  14 -10.970 -15.078  -1.201
  142   HH21  ARG  14          1HH2      ARG  14 -12.482 -17.364  -3.372
  143   HH22  ARG  14          2HH2      ARG  14 -12.578 -16.583  -1.830
  144    H    ASN  15           H        ASN  15  -9.824 -15.393 -10.561
  145    HA   ASN  15           HA       ASN  15 -12.719 -15.915 -10.476
  146    HB2  ASN  15          2HB       ASN  15 -11.072 -13.785 -11.803
  147    HB3  ASN  15          3HB       ASN  15 -12.663 -14.193 -12.439
  148   HD21  ASN  15          1HD2      ASN  15 -14.438 -13.444 -11.440
  149   HD22  ASN  15          2HD2      ASN  15 -14.421 -12.481 -10.005
  150    H    LEU  16           H        LEU  16  -9.896 -17.068 -11.778
  151    HA   LEU  16           HA       LEU  16 -11.301 -18.176 -14.120
  152    HB2  LEU  16          2HB       LEU  16  -8.358 -18.233 -14.106
  153    HB3  LEU  16          3HB       LEU  16  -9.481 -17.904 -15.424
  154    HG   LEU  16           HG       LEU  16  -8.704 -15.929 -13.279
  155   HD11  LEU  16          1HD1      LEU  16  -6.821 -16.461 -14.736
  156   HD12  LEU  16          2HD1      LEU  16  -7.415 -14.828 -15.031
  157   HD13  LEU  16          3HD1      LEU  16  -7.816 -16.127 -16.154
  158   HD21  LEU  16          1HD2      LEU  16 -10.997 -15.829 -14.523
  159   HD22  LEU  16          2HD2      LEU  16 -10.020 -15.247 -15.871
  160   HD23  LEU  16          3HD2      LEU  16 -10.024 -14.369 -14.341
  161    H    VAL  17           H        VAL  17  -9.896 -18.857 -11.143
  162    HA   VAL  17           HA       VAL  17  -9.913 -21.729 -11.758
  163    HB   VAL  17           HB       VAL  17  -7.801 -20.389 -10.063
  164   HG11  VAL  17          1HG1      VAL  17  -6.871 -22.866 -10.598
  165   HG12  VAL  17          2HG1      VAL  17  -7.780 -22.449  -9.144
  166   HG13  VAL  17          3HG1      VAL  17  -8.603 -23.186 -10.519
  167   HG21  VAL  17          1HG2      VAL  17  -6.245 -21.066 -11.860
  168   HG22  VAL  17          2HG2      VAL  17  -7.627 -21.569 -12.834
  169   HG23  VAL  17          3HG2      VAL  17  -7.429 -19.873 -12.395
  Start of MODEL   19
    1    H1   GLU   1           H        GLU   1   0.860   0.298   0.920
    2    HA   GLU   1           HA       GLU   1   0.260   0.491  -1.929
    3    HB2  GLU   1          2HB       GLU   1   3.027   0.693  -0.807
    4    HB3  GLU   1          3HB       GLU   1   2.332   1.500  -2.205
    5    HG2  GLU   1          2HG       GLU   1   1.005   2.921  -0.727
    6    HG3  GLU   1          3HG       GLU   1   1.708   2.115   0.674
    7    H    PHE   2           H        PHE   2   1.165  -1.840   0.318
    8    HA   PHE   2           HA       PHE   2   2.514  -3.489  -1.702
    9    HB2  PHE   2          2HB       PHE   2   3.416  -3.040   0.728
   10    HB3  PHE   2          3HB       PHE   2   2.271  -4.303   1.168
   11    HD1  PHE   2           HD1      PHE   2   5.336  -3.532  -0.686
   12    HD2  PHE   2           HD2      PHE   2   2.640  -6.589   0.540
   13    HE1  PHE   2           HE1      PHE   2   6.982  -5.240  -1.337
   14    HE2  PHE   2           HE2      PHE   2   4.282  -8.302  -0.108
   15    HZ   PHE   2           HZ       PHE   2   6.457  -7.629  -1.047
   16    H    LYS   3           H        LYS   3  -0.508  -2.903  -0.916
   17    HA   LYS   3           HA       LYS   3  -1.383  -5.702  -0.791
   18    HB2  LYS   3          2HB       LYS   3  -3.646  -4.659  -0.330
   19    HB3  LYS   3          3HB       LYS   3  -2.423  -4.418   0.910
   20    HG2  LYS   3          2HG       LYS   3  -2.602  -2.218   0.745
   21    HG3  LYS   3          3HG       LYS   3  -2.340  -2.274  -1.000
   22    HD2  LYS   3          2HD       LYS   3  -4.481  -1.260  -0.554
   23    HD3  LYS   3          3HD       LYS   3  -4.736  -2.842  -1.293
   24    HE2  LYS   3          2HE       LYS   3  -5.771  -3.647   0.525
   25    HE3  LYS   3          3HE       LYS   3  -4.606  -2.912   1.626
   26    HZ1  LYS   3          1HZ       LYS   3  -6.318  -1.598   2.162
   27    HZ2  LYS   3          2HZ       LYS   3  -7.178  -1.938   0.746
   28    HZ3  LYS   3          3HZ       LYS   3  -5.954  -0.771   0.732
   29    H    ARG   4           H        ARG   4  -1.351  -2.881  -2.814
   30    HA   ARG   4           HA       ARG   4  -3.368  -3.756  -4.637
   31    HB2  ARG   4          2HB       ARG   4  -2.411  -1.970  -6.119
   32    HB3  ARG   4          3HB       ARG   4  -2.911  -1.414  -4.527
   33    HG2  ARG   4          2HG       ARG   4  -0.777  -0.987  -3.850
   34    HG3  ARG   4          3HG       ARG   4  -0.079  -2.222  -4.899
   35    HD2  ARG   4          2HD       ARG   4  -0.916  -0.651  -6.812
   36    HD3  ARG   4          3HD       ARG   4  -0.907   0.574  -5.544
   37    HE   ARG   4           HE       ARG   4   1.549  -0.823  -5.569
   38   HH11  ARG   4          1HH1      ARG   4  -0.263   1.551  -7.359
   39   HH12  ARG   4          2HH1      ARG   4   1.144   2.329  -8.004
   40   HH21  ARG   4          1HH2      ARG   4   3.409   0.193  -6.412
   41   HH22  ARG   4          2HH2      ARG   4   3.232   1.555  -7.466
   42    H    ILE   5           H        ILE   5   0.061  -4.263  -4.315
   43    HA   ILE   5           HA       ILE   5   0.474  -5.235  -6.975
   44    HB   ILE   5           HB       ILE   5   2.617  -6.181  -5.940
   45   HG12  ILE   5          2HG1      ILE   5   1.877  -4.375  -3.642
   46   HG13  ILE   5          3HG1      ILE   5   1.589  -6.110  -3.598
   47   HG21  ILE   5          1HG2      ILE   5   2.218  -3.214  -5.629
   48   HG22  ILE   5          2HG2      ILE   5   3.703  -4.070  -6.044
   49   HG23  ILE   5          3HG2      ILE   5   2.365  -4.019  -7.192
   50   HD11  ILE   5          1HD1      ILE   5   3.632  -6.305  -2.769
   51   HD12  ILE   5          2HD1      ILE   5   4.235  -5.880  -4.371
   52   HD13  ILE   5          3HD1      ILE   5   4.021  -4.627  -3.149
   53    H    VAL   6           H        VAL   6  -0.276  -6.682  -3.860
   54    HA   VAL   6           HA       VAL   6  -0.020  -9.381  -4.884
   55    HB   VAL   6           HB       VAL   6  -0.907 -10.028  -2.619
   56   HG11  VAL   6          1HG1      VAL   6   1.181  -9.952  -1.727
   57   HG12  VAL   6          2HG1      VAL   6   1.585  -9.460  -3.373
   58   HG13  VAL   6          3HG1      VAL   6   1.403  -8.245  -2.108
   59   HG21  VAL   6          1HG2      VAL   6  -1.113  -8.380  -0.900
   60   HG22  VAL   6          2HG2      VAL   6  -0.564  -7.101  -1.984
   61   HG23  VAL   6          3HG2      VAL   6  -2.125  -7.876  -2.253
   62    H    GLN   7           H        GLN   7  -2.532  -7.039  -4.268
   63    HA   GLN   7           HA       GLN   7  -4.710  -8.883  -4.450
   64    HB2  GLN   7          2HB       GLN   7  -5.146  -6.893  -3.251
   65    HB3  GLN   7          3HB       GLN   7  -4.513  -5.881  -4.542
   66    HG2  GLN   7          2HG       GLN   7  -6.428  -5.985  -5.759
   67    HG3  GLN   7          3HG       GLN   7  -6.856  -7.586  -5.157
   68   HE21  GLN   7          1HE2      GLN   7  -8.451  -7.684  -3.751
   69   HE22  GLN   7          2HE2      GLN   7  -9.036  -6.378  -2.784
   70    H    ARG   8           H        ARG   8  -2.675  -7.367  -6.722
   71    HA   ARG   8           HA       ARG   8  -4.584  -7.456  -8.900
   72    HB2  ARG   8          2HB       ARG   8  -3.066  -5.653  -9.044
   73    HB3  ARG   8          3HB       ARG   8  -1.684  -6.682  -8.691
   74    HG2  ARG   8          2HG       ARG   8  -1.529  -7.450 -10.831
   75    HG3  ARG   8          3HG       ARG   8  -3.254  -7.249 -11.145
   76    HD2  ARG   8          2HD       ARG   8  -2.991  -4.859 -11.314
   77    HD3  ARG   8          3HD       ARG   8  -1.296  -4.977 -10.842
   78    HE   ARG   8           HE       ARG   8  -2.400  -5.432 -13.448
   79   HH11  ARG   8          1HH1      ARG   8   0.216  -6.224 -11.291
   80   HH12  ARG   8          2HH1      ARG   8   1.320  -6.622 -12.565
   81   HH21  ARG   8          1HH2      ARG   8  -0.956  -5.954 -15.135
   82   HH22  ARG   8          2HH2      ARG   8   0.652  -6.467 -14.752
   83    H    ILE   9           H        ILE   9  -2.381  -9.572  -7.409
   84    HA   ILE   9           HA       ILE   9  -2.329 -11.316  -9.781
   85    HB   ILE   9           HB       ILE   9  -0.514 -12.544  -8.449
   86   HG12  ILE   9          2HG1      ILE   9  -0.514  -9.898  -6.980
   87   HG13  ILE   9          3HG1      ILE   9  -0.955 -11.456  -6.289
   88   HG21  ILE   9          1HG2      ILE   9   0.178  -9.750  -9.328
   89   HG22  ILE   9          2HG2      ILE   9   1.198 -11.187  -9.379
   90   HG23  ILE   9          3HG2      ILE   9  -0.195 -11.056 -10.452
   91   HD11  ILE   9          1HD1      ILE   9   1.176 -11.405  -5.579
   92   HD12  ILE   9          2HD1      ILE   9   1.499 -12.040  -7.193
   93   HD13  ILE   9          3HD1      ILE   9   1.695 -10.318  -6.867
   94    H    LYS  10           H        LYS  10  -2.978 -11.217  -6.314
   95    HA   LYS  10           HA       LYS  10  -3.724 -13.964  -6.112
   96    HB2  LYS  10          2HB       LYS  10  -4.214 -13.524  -3.877
   97    HB3  LYS  10          3HB       LYS  10  -2.961 -12.346  -4.243
   98    HG2  LYS  10          2HG       LYS  10  -5.028 -10.819  -4.808
   99    HG3  LYS  10          3HG       LYS  10  -5.859 -11.940  -3.728
  100    HD2  LYS  10          2HD       LYS  10  -3.275 -10.617  -2.953
  101    HD3  LYS  10          3HD       LYS  10  -4.835  -9.831  -2.696
  102    HE2  LYS  10          2HE       LYS  10  -5.563 -11.830  -1.411
  103    HE3  LYS  10          3HE       LYS  10  -3.934 -12.484  -1.578
  104    HZ1  LYS  10          1HZ       LYS  10  -4.573  -9.889  -0.286
  105    HZ2  LYS  10          2HZ       LYS  10  -3.060 -10.641  -0.347
  106    HZ3  LYS  10          3HZ       LYS  10  -4.314 -11.336   0.552
  107    H    ASP  11           H        ASP  11  -5.405 -10.988  -6.835
  108    HA   ASP  11           HA       ASP  11  -7.990 -12.361  -6.788
  109    HB2  ASP  11          2HB       ASP  11  -7.428  -9.937  -5.858
  110    HB3  ASP  11          3HB       ASP  11  -7.741  -9.483  -7.531
  111    H    PHE  12           H        PHE  12  -5.557 -12.093  -8.895
  112    HA   PHE  12           HA       PHE  12  -7.166 -11.508 -11.257
  113    HB2  PHE  12          2HB       PHE  12  -5.193 -10.578 -11.821
  114    HB3  PHE  12          3HB       PHE  12  -4.314 -11.498 -10.605
  115    HD1  PHE  12           HD1      PHE  12  -3.060 -13.400 -11.187
  116    HD2  PHE  12           HD2      PHE  12  -5.692 -11.637 -14.029
  117    HE1  PHE  12           HE1      PHE  12  -2.092 -14.812 -12.954
  118    HE2  PHE  12           HE2      PHE  12  -4.728 -13.046 -15.801
  119    HZ   PHE  12           HZ       PHE  12  -2.926 -14.637 -15.264
  120    H    LEU  13           H        LEU  13  -5.964 -14.181  -9.472
  121    HA   LEU  13           HA       LEU  13  -6.585 -16.011 -11.691
  122    HB2  LEU  13          2HB       LEU  13  -5.011 -17.465 -10.934
  123    HB3  LEU  13          3HB       LEU  13  -4.299 -15.949 -10.384
  124    HG   LEU  13           HG       LEU  13  -5.941 -17.783  -8.642
  125   HD11  LEU  13          1HD1      LEU  13  -4.091 -19.086  -8.934
  126   HD12  LEU  13          2HD1      LEU  13  -3.525 -18.053  -7.622
  127   HD13  LEU  13          3HD1      LEU  13  -3.040 -17.714  -9.283
  128   HD21  LEU  13          1HD2      LEU  13  -4.342 -16.277  -7.030
  129   HD22  LEU  13          2HD2      LEU  13  -6.029 -15.919  -7.400
  130   HD23  LEU  13          3HD2      LEU  13  -4.740 -15.132  -8.312
  131    H    ARG  14           H        ARG  14  -7.551 -14.960  -8.573
  132    HA   ARG  14           HA       ARG  14  -9.191 -17.321  -8.086
  133    HB2  ARG  14          2HB       ARG  14  -7.881 -15.559  -6.405
  134    HB3  ARG  14          3HB       ARG  14  -9.563 -15.062  -6.272
  135    HG2  ARG  14          2HG       ARG  14  -9.360 -17.923  -6.137
  136    HG3  ARG  14          3HG       ARG  14  -8.295 -17.169  -4.948
  137    HD2  ARG  14          2HD       ARG  14 -10.401 -15.682  -4.468
  138    HD3  ARG  14          3HD       ARG  14 -11.265 -17.033  -5.202
  139    HE   ARG  14           HE       ARG  14  -9.616 -18.172  -3.333
  140   HH11  ARG  14          1HH1      ARG  14 -12.126 -15.760  -3.304
  141   HH12  ARG  14          2HH1      ARG  14 -12.632 -16.119  -1.686
  142   HH21  ARG  14          1HH2      ARG  14 -10.273 -18.653  -1.203
  143   HH22  ARG  14          2HH2      ARG  14 -11.577 -17.764  -0.491
  144    H    ASN  15           H        ASN  15  -9.456 -14.530  -9.834
  145    HA   ASN  15           HA       ASN  15 -12.384 -14.459  -9.503
  146    HB2  ASN  15          2HB       ASN  15 -11.348 -12.355  -8.798
  147    HB3  ASN  15          3HB       ASN  15 -10.535 -12.219 -10.354
  148   HD21  ASN  15          1HD2      ASN  15 -11.628 -11.449 -12.089
  149   HD22  ASN  15          2HD2      ASN  15 -13.249 -10.855 -12.019
  150    H    LEU  16           H        LEU  16  -9.929 -15.404 -11.511
  151    HA   LEU  16           HA       LEU  16 -11.582 -15.059 -13.925
  152    HB2  LEU  16          2HB       LEU  16  -9.675 -14.069 -14.615
  153    HB3  LEU  16          3HB       LEU  16  -8.682 -14.920 -13.434
  154    HG   LEU  16           HG       LEU  16  -8.864 -16.952 -14.923
  155   HD11  LEU  16          1HD1      LEU  16 -10.668 -15.247 -16.301
  156   HD12  LEU  16          2HD1      LEU  16 -10.220 -16.912 -16.673
  157   HD13  LEU  16          3HD1      LEU  16  -9.297 -15.576 -17.362
  158   HD21  LEU  16          1HD2      LEU  16  -7.563 -14.867 -16.556
  159   HD22  LEU  16          2HD2      LEU  16  -6.919 -16.381 -15.920
  160   HD23  LEU  16          3HD2      LEU  16  -7.053 -14.968 -14.871
  161    H    VAL  17           H        VAL  17 -10.137 -17.303 -11.765
  162    HA   VAL  17           HA       VAL  17 -10.037 -19.581 -11.692
  163    HB   VAL  17           HB       VAL  17 -12.513 -19.309 -13.402
  164   HG11  VAL  17          1HG1      VAL  17 -11.318 -21.644 -11.942
  165   HG12  VAL  17          2HG1      VAL  17 -13.039 -21.564 -12.324
  166   HG13  VAL  17          3HG1      VAL  17 -11.844 -21.545 -13.622
  167   HG21  VAL  17          1HG2      VAL  17 -12.836 -20.015 -10.596
  168   HG22  VAL  17          2HG2      VAL  17 -12.100 -18.430 -10.826
  169   HG23  VAL  17          3HG2      VAL  17 -13.664 -18.789 -11.557
  Start of MODEL   20
    1    H1   GLU   1           H        GLU   1   0.217  -0.304  -0.973
    2    HA   GLU   1           HA       GLU   1   2.319   0.687  -2.778
    3    HB2  GLU   1          2HB       GLU   1   3.795  -0.217  -0.706
    4    HB3  GLU   1          3HB       GLU   1   3.309   1.461  -0.898
    5    HG2  GLU   1          2HG       GLU   1   1.510  -0.405   0.565
    6    HG3  GLU   1          3HG       GLU   1   2.957   0.206   1.367
    7    H    PHE   2           H        PHE   2   2.235  -1.932  -0.384
    8    HA   PHE   2           HA       PHE   2   2.993  -3.800  -2.516
    9    HB2  PHE   2          2HB       PHE   2   4.310  -3.440  -0.268
   10    HB3  PHE   2          3HB       PHE   2   3.080  -4.515   0.389
   11    HD1  PHE   2           HD1      PHE   2   5.918  -4.235  -1.905
   12    HD2  PHE   2           HD2      PHE   2   3.007  -6.841  -0.216
   13    HE1  PHE   2           HE1      PHE   2   7.188  -6.178  -2.722
   14    HE2  PHE   2           HE2      PHE   2   4.272  -8.787  -1.030
   15    HZ   PHE   2           HZ       PHE   2   6.366  -8.457  -2.284
   16    H    LYS   3           H        LYS   3   0.241  -2.768  -1.303
   17    HA   LYS   3           HA       LYS   3  -0.994  -5.386  -0.867
   18    HB2  LYS   3          2HB       LYS   3  -2.374  -2.717  -0.663
   19    HB3  LYS   3          3HB       LYS   3  -2.846  -4.245   0.068
   20    HG2  LYS   3          2HG       LYS   3  -1.542  -3.931   1.856
   21    HG3  LYS   3          3HG       LYS   3  -0.204  -3.300   0.892
   22    HD2  LYS   3          2HD       LYS   3  -0.783  -1.420   2.069
   23    HD3  LYS   3          3HD       LYS   3  -1.804  -1.222   0.643
   24    HE2  LYS   3          2HE       LYS   3  -3.264  -0.817   2.407
   25    HE3  LYS   3          3HE       LYS   3  -3.577  -2.504   2.003
   26    HZ1  LYS   3          1HZ       LYS   3  -1.727  -2.869   3.816
   27    HZ2  LYS   3          2HZ       LYS   3  -3.352  -2.673   4.242
   28    HZ3  LYS   3          3HZ       LYS   3  -2.282  -1.368   4.366
   29    H    ARG   4           H        ARG   4  -1.161  -2.572  -2.993
   30    HA   ARG   4           HA       ARG   4  -3.356  -3.451  -4.540
   31    HB2  ARG   4          2HB       ARG   4  -2.567  -1.790  -6.202
   32    HB3  ARG   4          3HB       ARG   4  -2.677  -1.130  -4.576
   33    HG2  ARG   4          2HG       ARG   4  -0.173  -1.674  -4.407
   34    HG3  ARG   4          3HG       ARG   4  -0.236  -1.816  -6.165
   35    HD2  ARG   4          2HD       ARG   4  -1.163   0.466  -6.285
   36    HD3  ARG   4          3HD       ARG   4  -1.017   0.598  -4.533
   37    HE   ARG   4           HE       ARG   4   1.220   0.996  -4.788
   38   HH11  ARG   4          1HH1      ARG   4  -0.034  -0.363  -7.737
   39   HH12  ARG   4          2HH1      ARG   4   1.431  -0.115  -8.629
   40   HH21  ARG   4          1HH2      ARG   4   3.154   1.329  -5.951
   41   HH22  ARG   4          2HH2      ARG   4   3.244   0.847  -7.611
   42    H    ILE   5           H        ILE   5   0.042  -4.188  -4.605
   43    HA   ILE   5           HA       ILE   5   0.085  -5.293  -7.239
   44    HB   ILE   5           HB       ILE   5   2.237  -6.389  -6.393
   45   HG12  ILE   5          2HG1      ILE   5   1.889  -4.463  -4.098
   46   HG13  ILE   5          3HG1      ILE   5   1.474  -6.169  -3.963
   47   HG21  ILE   5          1HG2      ILE   5   1.688  -3.483  -6.683
   48   HG22  ILE   5          2HG2      ILE   5   3.295  -3.980  -6.154
   49   HG23  ILE   5          3HG2      ILE   5   2.655  -4.558  -7.692
   50   HD11  ILE   5          1HD1      ILE   5   3.573  -6.493  -3.333
   51   HD12  ILE   5          2HD1      ILE   5   4.032  -6.184  -5.008
   52   HD13  ILE   5          3HD1      ILE   5   4.051  -4.871  -3.831
   53    H    VAL   6           H        VAL   6  -0.424  -6.580  -4.003
   54    HA   VAL   6           HA       VAL   6  -0.514  -9.318  -4.940
   55    HB   VAL   6           HB       VAL   6  -1.204  -9.817  -2.574
   56   HG11  VAL   6          1HG1      VAL   6   0.964  -9.900  -1.920
   57   HG12  VAL   6          2HG1      VAL   6   1.239  -9.446  -3.603
   58   HG13  VAL   6          3HG1      VAL   6   1.271  -8.215  -2.340
   59   HG21  VAL   6          1HG2      VAL   6  -1.109  -8.106  -0.909
   60   HG22  VAL   6          2HG2      VAL   6  -0.573  -6.910  -2.088
   61   HG23  VAL   6          3HG2      VAL   6  -2.209  -7.561  -2.175
   62    H    GLN   7           H        GLN   7  -2.741  -6.741  -4.208
   63    HA   GLN   7           HA       GLN   7  -5.071  -8.410  -4.100
   64    HB2  GLN   7          2HB       GLN   7  -5.225  -6.380  -2.901
   65    HB3  GLN   7          3HB       GLN   7  -4.641  -5.435  -4.264
   66    HG2  GLN   7          2HG       GLN   7  -6.669  -5.402  -5.296
   67    HG3  GLN   7          3HG       GLN   7  -7.169  -6.946  -4.607
   68   HE21  GLN   7          1HE2      GLN   7  -8.459  -4.257  -4.733
   69   HE22  GLN   7          2HE2      GLN   7  -8.891  -3.898  -3.099
   70    H    ARG   8           H        ARG   8  -3.157  -7.115  -6.594
   71    HA   ARG   8           HA       ARG   8  -5.290  -7.091  -8.565
   72    HB2  ARG   8          2HB       ARG   8  -3.700  -5.374  -8.887
   73    HB3  ARG   8          3HB       ARG   8  -2.346  -6.475  -8.667
   74    HG2  ARG   8          2HG       ARG   8  -2.451  -7.257 -10.802
   75    HG3  ARG   8          3HG       ARG   8  -4.189  -6.985 -10.934
   76    HD2  ARG   8          2HD       ARG   8  -2.750  -5.471 -12.333
   77    HD3  ARG   8          3HD       ARG   8  -3.887  -4.655 -11.260
   78    HE   ARG   8           HE       ARG   8  -2.114  -3.729 -10.159
   79   HH11  ARG   8          1HH1      ARG   8  -0.990  -6.455 -12.010
   80   HH12  ARG   8          2HH1      ARG   8   0.685  -6.154 -11.681
   81   HH21  ARG   8          1HH2      ARG   8   0.087  -3.323  -9.718
   82   HH22  ARG   8          2HH2      ARG   8   1.296  -4.373 -10.376
   83    H    ILE   9           H        ILE   9  -3.047  -9.302  -7.277
   84    HA   ILE   9           HA       ILE   9  -3.185 -11.032  -9.641
   85    HB   ILE   9           HB       ILE   9  -1.541 -12.452  -8.298
   86   HG12  ILE   9          2HG1      ILE   9  -1.294  -9.881  -6.723
   87   HG13  ILE   9          3HG1      ILE   9  -2.034 -11.358  -6.116
   88   HG21  ILE   9          1HG2      ILE   9  -1.194 -10.322 -10.027
   89   HG22  ILE   9          2HG2      ILE   9  -0.077  -9.984  -8.705
   90   HG23  ILE   9          3HG2      ILE   9   0.025 -11.514  -9.575
   91   HD11  ILE   9          1HD1      ILE   9   0.367 -12.299  -6.901
   92   HD12  ILE   9          2HD1      ILE   9   0.794 -10.652  -6.435
   93   HD13  ILE   9          3HD1      ILE   9   0.008 -11.721  -5.274
   94    H    LYS  10           H        LYS  10  -4.009 -10.909  -6.219
   95    HA   LYS  10           HA       LYS  10  -4.853 -13.550  -5.873
   96    HB2  LYS  10          2HB       LYS  10  -6.099 -12.739  -3.950
   97    HB3  LYS  10          3HB       LYS  10  -4.527 -11.953  -4.023
   98    HG2  LYS  10          2HG       LYS  10  -5.853 -10.162  -3.553
   99    HG3  LYS  10          3HG       LYS  10  -5.875 -10.104  -5.317
  100    HD2  LYS  10          2HD       LYS  10  -8.081 -10.387  -5.344
  101    HD3  LYS  10          3HD       LYS  10  -7.944 -11.855  -4.373
  102    HE2  LYS  10          2HE       LYS  10  -8.059  -9.026  -3.329
  103    HE3  LYS  10          3HE       LYS  10  -9.364 -10.209  -3.272
  104    HZ1  LYS  10          1HZ       LYS  10  -6.813 -10.221  -1.780
  105    HZ2  LYS  10          2HZ       LYS  10  -7.731 -11.629  -1.967
  106    HZ3  LYS  10          3HZ       LYS  10  -8.390 -10.289  -1.171
  107    H    ASP  11           H        ASP  11  -6.448 -10.796  -7.319
  108    HA   ASP  11           HA       ASP  11  -8.923 -12.333  -7.634
  109    HB2  ASP  11          2HB       ASP  11  -8.288  -9.514  -7.376
  110    HB3  ASP  11          3HB       ASP  11  -9.290  -9.817  -8.792
  111    H    PHE  12           H        PHE  12  -6.144 -12.224  -9.195
  112    HA   PHE  12           HA       PHE  12  -7.215 -11.908 -11.895
  113    HB2  PHE  12          2HB       PHE  12  -5.145 -10.830 -11.736
  114    HB3  PHE  12          3HB       PHE  12  -4.445 -12.112 -10.754
  115    HD1  PHE  12           HD1      PHE  12  -2.861 -13.407 -11.773
  116    HD2  PHE  12           HD2      PHE  12  -5.986 -11.743 -14.136
  117    HE1  PHE  12           HE1      PHE  12  -1.865 -14.408 -13.788
  118    HE2  PHE  12           HE2      PHE  12  -4.995 -12.742 -16.155
  119    HZ   PHE  12           HZ       PHE  12  -2.933 -14.077 -15.982
  120    H    LEU  13           H        LEU  13  -6.395 -14.343  -9.626
  121    HA   LEU  13           HA       LEU  13  -6.639 -16.401 -11.721
  122    HB2  LEU  13          2HB       LEU  13  -5.537 -17.769  -9.691
  123    HB3  LEU  13          3HB       LEU  13  -4.606 -16.978 -10.961
  124    HG   LEU  13           HG       LEU  13  -4.289 -15.032  -9.466
  125   HD11  LEU  13          1HD1      LEU  13  -5.662 -14.791  -7.738
  126   HD12  LEU  13          2HD1      LEU  13  -4.807 -16.118  -6.953
  127   HD13  LEU  13          3HD1      LEU  13  -6.257 -16.443  -7.903
  128   HD21  LEU  13          1HD2      LEU  13  -2.628 -16.054  -8.066
  129   HD22  LEU  13          2HD2      LEU  13  -2.643 -16.885  -9.622
  130   HD23  LEU  13          3HD2      LEU  13  -3.406 -17.630  -8.216
  131    H    ARG  14           H        ARG  14  -7.995 -15.050  -8.918
  132    HA   ARG  14           HA       ARG  14  -9.430 -17.435  -8.114
  133    HB2  ARG  14          2HB       ARG  14  -9.349 -14.595  -7.134
  134    HB3  ARG  14          3HB       ARG  14 -10.599 -15.703  -6.583
  135    HG2  ARG  14          2HG       ARG  14  -8.807 -17.247  -5.817
  136    HG3  ARG  14          3HG       ARG  14  -7.626 -16.005  -6.237
  137    HD2  ARG  14          2HD       ARG  14  -7.976 -15.666  -3.963
  138    HD3  ARG  14          3HD       ARG  14  -9.023 -14.467  -4.721
  139    HE   ARG  14           HE       ARG  14 -10.471 -16.842  -4.277
  140   HH11  ARG  14          1HH1      ARG  14  -9.062 -14.167  -2.550
  141   HH12  ARG  14          2HH1      ARG  14 -10.195 -14.247  -1.242
  142   HH21  ARG  14          1HH2      ARG  14 -11.968 -16.957  -2.560
  143   HH22  ARG  14          2HH2      ARG  14 -11.847 -15.834  -1.248
  144    H    ASN  15           H        ASN  15  -9.772 -15.222 -10.547
  145    HA   ASN  15           HA       ASN  15 -12.708 -15.407 -10.544
  146    HB2  ASN  15          2HB       ASN  15 -10.782 -13.390 -11.604
  147    HB3  ASN  15          3HB       ASN  15 -12.297 -13.622 -12.473
  148   HD21  ASN  15          1HD2      ASN  15 -12.407 -11.297 -11.751
  149   HD22  ASN  15          2HD2      ASN  15 -13.179 -10.993 -10.235
  150    H    LEU  16           H        LEU  16 -10.000 -16.799 -11.876
  151    HA   LEU  16           HA       LEU  16 -11.486 -17.627 -14.283
  152    HB2  LEU  16          2HB       LEU  16  -8.566 -17.992 -14.258
  153    HB3  LEU  16          3HB       LEU  16  -9.635 -17.478 -15.562
  154    HG   LEU  16           HG       LEU  16  -8.676 -15.712 -13.310
  155   HD11  LEU  16          1HD1      LEU  16  -7.803 -15.775 -16.194
  156   HD12  LEU  16          2HD1      LEU  16  -6.869 -16.409 -14.839
  157   HD13  LEU  16          3HD1      LEU  16  -7.223 -14.684 -14.935
  158   HD21  LEU  16          1HD2      LEU  16  -9.824 -13.973 -14.279
  159   HD22  LEU  16          2HD2      LEU  16 -10.936 -15.312 -14.567
  160   HD23  LEU  16          3HD2      LEU  16  -9.880 -14.747 -15.863
  161    H    VAL  17           H        VAL  17 -10.194 -18.606 -11.340
  162    HA   VAL  17           HA       VAL  17 -10.690 -21.399 -12.000
  163    HB   VAL  17           HB       VAL  17  -8.086 -20.523 -10.742
  164   HG11  VAL  17          1HG1      VAL  17  -7.818 -23.152 -11.424
  165   HG12  VAL  17          2HG1      VAL  17  -8.205 -22.558  -9.808
  166   HG13  VAL  17          3HG1      VAL  17  -9.497 -23.083 -10.889
  167   HG21  VAL  17          1HG2      VAL  17  -7.891 -20.061 -13.039
  168   HG22  VAL  17          2HG2      VAL  17  -7.137 -21.641 -12.825
  169   HG23  VAL  17          3HG2      VAL  17  -8.765 -21.525 -13.493