*HEADER    ANTIMICROBIAL PROTEIN                   10-JUN-17   5XRX              
*TITLE     EFK17DA 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;                                                     
*COMPND   7 OTHER_DETAILS: THIS PEPTIDE IS A D ISOMER OF EFK17A THAT HAS BEEN    
*COMPND   8 PREVIOUSLY SUBMITTED (PDB ID: 5XNG) CONTAINING D AMINO ACIDS (DPHE,  
*COMPND   9 DILE)                                                                
*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: IT IS A SYNTHETIC PEPTIDE                             
*KEYWDS    ANTIMICROBIAL PEPTIDE, HELICAL AND COILED STRUCTURE, PEPTIDE DERIVED  
*KEYWDS   2 FROM HUMAN LL37, D AMINO ACID ISOMER, ANTIMICROBIAL PROTEIN          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.DATTA,A.BHUNIA                                                      
*REVDAT   1   18-APR-18 5XRX    0                                                
# Restraints file 1: EFK17DA.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		3.5	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		3.8	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		3.9	2.0
4 ARG QG	5 ILE H		4.0	2.0
5 ILE QB	5 ILE H		3.8	2.0
5 ILE HG21	5 ILE H		4.2	2.0
5 ILE HG12	5 ILE H		4.0	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		3.8	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		3.5	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		4.1	2.0
9 ILE HG12	9 ILE H		4.0	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	3.7	2.0
9 ILE HD1	10 LYS H	4.2	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	3.5	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	3.5	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	4.2	2.0
13 LEU QQD	14 ARG H	4.2	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	3.5	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		3.2	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		3.9	2.0
5 ILE H		6 VAL H		3.0	2.0
6 VAL H		7 GLN H		2.8	2.0
7 GLN H		8 ARG H		3.3	2.0
8 ARG H		9 ILE H		2.9	2.0
9 ILE H		10 LYS H	3.3	2.0
11 ASP H	12 PHE H	3.5	2.0
12 PHE H	13 LEU H	3.8	2.0
13 LEU H	14 ARG H	3.2	2.0
14 ARG H	15 ASN H	3.0	2.0
15 ASN H	16 LEU H	3.4	2.0
9 ILE H		11 ASP H	4.5	2.0
5 ILE H		7 GLN H		4.3	2.0
12 PHE H	14 ARG H	4.2	2.0
11 ASP HA	14 ARG H	3.4	2.0
7 GLN HA	9 ILE H		4.7	2.0
6 VAL HA	9 ILE H		4.0	2.0
3 LYS HA	7 GLN H		4.2	2.0
1 GLU HB2	4 ARG H		3.5	2.0
12 PHE QD	2 PHE QE	4.2	2.0
2 PHE HB2	12 PHE QD	4.6	2.0
2 PHE HB2	12 PHE QE	4.9	2.0
6 VAL QQG	12 PHE QD	4.0	2.0
9 ILE HD1	2 PHE QE	4.0	2.0
6 VAL QQG	12 PHE H	3.5	2.0
2 PHE QE	12 PHE QD	4.0	2.0
13 LEU QQD	12 PHE QD	4.8	2.0
13 LEU QQD	12 PHE QE	4.5	2.0
13 LEU QQD	12 PHE HZ	5.0	2.0
9 ILE QB	12 PHE QD	4.3	2.0
9 ILE HG12	12 PHE QD	4.1	2.0
# Restraints file 2: EFK17DA.aco
# Torsion angle constraints 
# generated from HA secondary chemical shifts			
   
   2 PHE  PHI   60    90
   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   60    90
   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   60    90
   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   60    90
  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
# Restraints file 3: EFK17DA.seq
GLU
PHE
LYS
ARG
ILE
VAL
GLN
ARG
ILE
LYS
ASP
PHE
LEU
ARG
ASN
LEU

VAL

  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   2.227  -1.028  -1.548
    3    HB2  GLU   1          2HB       GLU   1   1.182   1.770  -2.022
    4    HB3  GLU   1          3HB       GLU   1   1.921   0.741  -3.240
    5    HG2  GLU   1          2HG       GLU   1  -0.405  -0.347  -1.767
    6    HG3  GLU   1          3HG       GLU   1  -0.705   0.939  -2.935
    7    H    PHE   2           H        PHE   2   2.637   2.451  -0.921
    8    HA   PHE   2           HA       PHE   2   4.481   3.720  -0.515
    9    HB2  PHE   2          2HB       PHE   2   4.800   2.091   1.364
   10    HB3  PHE   2          3HB       PHE   2   5.833   1.142   0.299
   11    HD1  PHE   2           HD1      PHE   2   5.652   4.831   0.643
   12    HD2  PHE   2           HD2      PHE   2   7.926   1.294   1.303
   13    HE1  PHE   2           HE1      PHE   2   7.585   6.202   1.304
   14    HE2  PHE   2           HE2      PHE   2   9.862   2.659   1.967
   15    HZ   PHE   2           HZ       PHE   2   9.693   5.116   1.969
   16    H    LYS   3           H        LYS   3   4.109   1.816  -2.988
   17    HA   LYS   3           HA       LYS   3   6.774   2.362  -4.123
   18    HB2  LYS   3          2HB       LYS   3   6.556   0.400  -5.516
   19    HB3  LYS   3          3HB       LYS   3   6.324  -0.061  -3.835
   20    HG2  LYS   3          2HG       LYS   3   3.823   0.621  -5.130
   21    HG3  LYS   3          3HG       LYS   3   4.674  -0.686  -5.957
   22    HD2  LYS   3          2HD       LYS   3   4.744  -1.020  -3.083
   23    HD3  LYS   3          3HD       LYS   3   3.088  -0.900  -3.681
   24    HE2  LYS   3          2HE       LYS   3   5.120  -2.711  -4.952
   25    HE3  LYS   3          3HE       LYS   3   4.139  -3.225  -3.581
   26    HZ1  LYS   3          1HZ       LYS   3   3.368  -2.772  -6.348
   27    HZ2  LYS   3          2HZ       LYS   3   2.253  -2.275  -5.177
   28    HZ3  LYS   3          3HZ       LYS   3   2.768  -3.886  -5.225
   29    H    ARG   4           H        ARG   4   3.548   3.152  -4.207
   30    HA   ARG   4           HA       ARG   4   3.524   3.769  -7.068
   31    HB2  ARG   4          2HB       ARG   4   1.501   3.184  -5.068
   32    HB3  ARG   4          3HB       ARG   4   1.125   4.653  -5.958
   33    HG2  ARG   4          2HG       ARG   4   1.743   3.103  -8.021
   34    HG3  ARG   4          3HG       ARG   4   1.246   1.846  -6.887
   35    HD2  ARG   4          2HD       ARG   4  -0.894   2.965  -6.566
   36    HD3  ARG   4          3HD       ARG   4  -0.395   4.257  -7.657
   37    HE   ARG   4           HE       ARG   4  -0.169   1.874  -9.060
   38   HH11  ARG   4          1HH1      ARG   4  -2.673   3.766  -7.554
   39   HH12  ARG   4          2HH1      ARG   4  -3.910   3.238  -8.646
   40   HH21  ARG   4          1HH2      ARG   4  -1.789   1.171 -10.504
   41   HH22  ARG   4          2HH2      ARG   4  -3.406   1.761 -10.323
   42    H    ILE   5           H        ILE   5   5.086   5.461  -6.953
   43    HA   ILE   5           HA       ILE   5   5.733   7.642  -6.884
   44    HB   ILE   5           HB       ILE   5   2.922   8.457  -6.227
   45   HG12  ILE   5          2HG1      ILE   5   2.622   6.799  -7.945
   46   HG13  ILE   5          3HG1      ILE   5   2.463   8.385  -8.692
   47   HG21  ILE   5          1HG2      ILE   5   5.303   9.664  -7.526
   48   HG22  ILE   5          2HG2      ILE   5   3.709  10.163  -8.091
   49   HG23  ILE   5          3HG2      ILE   5   4.148  10.371  -6.396
   50   HD11  ILE   5          1HD1      ILE   5   4.896   6.617  -8.789
   51   HD12  ILE   5          2HD1      ILE   5   3.743   6.888 -10.097
   52   HD13  ILE   5          3HD1      ILE   5   4.754   8.214  -9.523
   53    H    VAL   6           H        VAL   6   5.202   5.953  -4.348
   54    HA   VAL   6           HA       VAL   6   5.230   8.173  -2.413
   55    HB   VAL   6           HB       VAL   6   4.864   5.305  -1.621
   56   HG11  VAL   6          1HG1      VAL   6   4.173   6.131   0.380
   57   HG12  VAL   6          2HG1      VAL   6   5.206   7.474  -0.114
   58   HG13  VAL   6          3HG1      VAL   6   3.459   7.575  -0.336
   59   HG21  VAL   6          1HG2      VAL   6   3.107   5.339  -3.091
   60   HG22  VAL   6          2HG2      VAL   6   2.331   6.030  -1.667
   61   HG23  VAL   6          3HG2      VAL   6   2.890   7.084  -2.965
   62    H    GLN   7           H        GLN   7   7.367   6.535  -4.107
   63    HA   GLN   7           HA       GLN   7   9.119   5.310  -2.314
   64    HB2  GLN   7          2HB       GLN   7  10.746   5.402  -4.026
   65    HB3  GLN   7          3HB       GLN   7   9.200   5.271  -4.853
   66    HG2  GLN   7          2HG       GLN   7   9.382   7.906  -4.850
   67    HG3  GLN   7          3HG       GLN   7  11.102   7.542  -4.726
   68   HE21  GLN   7          1HE2      GLN   7   9.640   8.778  -6.907
   69   HE22  GLN   7          2HE2      GLN   7   9.908   7.786  -8.296
   70    H    ARG   8           H        ARG   8   8.574   8.675  -3.032
   71    HA   ARG   8           HA       ARG   8  10.970   9.573  -1.695
   72    HB2  ARG   8          2HB       ARG   8   8.687  11.403  -2.295
   73    HB3  ARG   8          3HB       ARG   8  10.417  11.700  -2.405
   74    HG2  ARG   8          2HG       ARG   8  10.476  10.189  -4.387
   75    HG3  ARG   8          3HG       ARG   8   8.714  10.120  -4.315
   76    HD2  ARG   8          2HD       ARG   8   9.066  12.780  -4.254
   77    HD3  ARG   8          3HD       ARG   8  10.502  12.315  -5.165
   78    HE   ARG   8           HE       ARG   8   8.487  10.968  -6.393
   79   HH11  ARG   8          1HH1      ARG   8   9.034  14.308  -5.577
   80   HH12  ARG   8          2HH1      ARG   8   8.128  14.920  -6.921
   81   HH21  ARG   8          1HH2      ARG   8   7.292  11.761  -8.166
   82   HH22  ARG   8          2HH2      ARG   8   7.137  13.470  -8.393
   83    H    ILE   9           H        ILE   9   8.059   8.396  -0.649
   84    HA   ILE   9           HA       ILE   9   6.975   8.376   1.352
   85    HB   ILE   9           HB       ILE   9   9.351   9.754   2.575
   86   HG12  ILE   9          2HG1      ILE   9   9.737   7.003   2.849
   87   HG13  ILE   9          3HG1      ILE   9   9.283   7.217   1.162
   88   HG21  ILE   9          1HG2      ILE   9   6.994   8.384   3.536
   89   HG22  ILE   9          2HG2      ILE   9   8.471   7.664   4.177
   90   HG23  ILE   9          3HG2      ILE   9   8.153   9.383   4.413
   91   HD11  ILE   9          1HD1      ILE   9  11.550   7.440   1.037
   92   HD12  ILE   9          2HD1      ILE   9  11.074   9.124   1.251
   93   HD13  ILE   9          3HD1      ILE   9  11.676   8.197   2.624
   94    H    LYS  10           H        LYS  10   7.256  10.942  -0.399
   95    HA   LYS  10           HA       LYS  10   7.020  13.231   1.116
   96    HB2  LYS  10          2HB       LYS  10   5.705  14.163  -0.745
   97    HB3  LYS  10          3HB       LYS  10   7.113  13.277  -1.316
   98    HG2  LYS  10          2HG       LYS  10   5.080  11.386  -1.252
   99    HG3  LYS  10          3HG       LYS  10   4.315  12.851  -1.872
  100    HD2  LYS  10          2HD       LYS  10   6.724  12.773  -3.213
  101    HD3  LYS  10          3HD       LYS  10   6.249  11.075  -3.132
  102    HE2  LYS  10          2HE       LYS  10   5.347  11.988  -5.144
  103    HE3  LYS  10          3HE       LYS  10   4.011  11.744  -4.020
  104    HZ1  LYS  10          1HZ       LYS  10   5.369  14.357  -4.230
  105    HZ2  LYS  10          2HZ       LYS  10   3.828  14.012  -3.624
  106    HZ3  LYS  10          3HZ       LYS  10   4.119  13.936  -5.289
  107    H    ASP  11           H        ASP  11   4.632  10.732   0.521
  108    HA   ASP  11           HA       ASP  11   2.803  12.125   2.366
  109    HB2  ASP  11          2HB       ASP  11   2.223  10.501  -0.099
  110    HB3  ASP  11          3HB       ASP  11   1.007  10.712   1.158
  111    H    PHE  12           H        PHE  12   2.817   8.833   1.040
  112    HA   PHE  12           HA       PHE  12   2.976   6.788   2.035
  113    HB2  PHE  12          2HB       PHE  12   4.894   8.067   3.299
  114    HB3  PHE  12          3HB       PHE  12   3.772   8.001   4.654
  115    HD1  PHE  12           HD1      PHE  12   6.534   6.484   3.437
  116    HD2  PHE  12           HD2      PHE  12   2.595   5.476   4.696
  117    HE1  PHE  12           HE1      PHE  12   7.284   4.196   3.940
  118    HE2  PHE  12           HE2      PHE  12   3.339   3.186   5.202
  119    HZ   PHE  12           HZ       PHE  12   5.687   2.543   4.825
  120    H    LEU  13           H        LEU  13   2.059   8.898   4.758
  121    HA   LEU  13           HA       LEU  13  -0.259   7.182   5.240
  122    HB2  LEU  13          2HB       LEU  13   0.534   9.476   6.983
  123    HB3  LEU  13          3HB       LEU  13  -0.302   7.986   7.415
  124    HG   LEU  13           HG       LEU  13   2.611   8.115   6.648
  125   HD11  LEU  13          1HD1      LEU  13   1.583   7.784   9.442
  126   HD12  LEU  13          2HD1      LEU  13   1.895   9.383   8.768
  127   HD13  LEU  13          3HD1      LEU  13   3.205   8.209   8.893
  128   HD21  LEU  13          1HD2      LEU  13   0.971   5.969   7.993
  129   HD22  LEU  13          2HD2      LEU  13   2.697   5.892   7.638
  130   HD23  LEU  13          3HD2      LEU  13   1.526   5.944   6.319
  131    H    ARG  14           H        ARG  14   0.462   9.980   3.602
  132    HA   ARG  14           HA       ARG  14  -2.156  11.204   4.094
  133    HB2  ARG  14          2HB       ARG  14   0.470  12.193   3.190
  134    HB3  ARG  14          3HB       ARG  14  -0.912  12.884   2.350
  135    HG2  ARG  14          2HG       ARG  14  -0.899  12.782   5.331
  136    HG3  ARG  14          3HG       ARG  14   0.028  14.025   4.488
  137    HD2  ARG  14          2HD       ARG  14  -1.951  14.828   3.385
  138    HD3  ARG  14          3HD       ARG  14  -2.903  13.492   4.032
  139    HE   ARG  14           HE       ARG  14  -1.814  14.882   6.188
  140   HH11  ARG  14          1HH1      ARG  14  -4.088  15.410   3.605
  141   HH12  ARG  14          2HH1      ARG  14  -5.033  16.555   4.497
  142   HH21  ARG  14          1HH2      ARG  14  -3.051  16.388   7.372
  143   HH22  ARG  14          2HH2      ARG  14  -4.442  17.112   6.639
  144    H    ASN  15           H        ASN  15  -1.123   8.820   2.260
  145    HA   ASN  15           HA       ASN  15  -2.338   9.708  -0.250
  146    HB2  ASN  15          2HB       ASN  15  -0.463   7.534   0.526
  147    HB3  ASN  15          3HB       ASN  15  -1.547   7.214  -0.825
  148   HD21  ASN  15          1HD2      ASN  15   0.460   7.088  -2.036
  149   HD22  ASN  15          2HD2      ASN  15   1.166   8.544  -2.643
  150    H    LEU  16           H        LEU  16  -3.284   8.287   2.579
  151    HA   LEU  16           HA       LEU  16  -5.847   7.606   1.630
  152    HB2  LEU  16          2HB       LEU  16  -5.572   5.112   2.339
  153    HB3  LEU  16          3HB       LEU  16  -5.156   5.630   0.707
  154    HG   LEU  16           HG       LEU  16  -2.859   5.784   2.445
  155   HD11  LEU  16          1HD1      LEU  16  -4.425   3.837   3.375
  156   HD12  LEU  16          2HD1      LEU  16  -2.667   3.704   3.321
  157   HD13  LEU  16          3HD1      LEU  16  -3.647   2.959   2.058
  158   HD21  LEU  16          1HD2      LEU  16  -3.350   5.435  -0.193
  159   HD22  LEU  16          2HD2      LEU  16  -2.981   3.781   0.297
  160   HD23  LEU  16          3HD2      LEU  16  -1.811   5.069   0.588
  161    H    VAL  17           H        VAL  17  -3.536   6.480   4.106
  162    HA   VAL  17           HA       VAL  17  -4.809   7.847   6.223
  163    HB   VAL  17           HB       VAL  17  -6.546   6.109   5.813
  164   HG11  VAL  17          1HG1      VAL  17  -4.356   4.414   5.556
  165   HG12  VAL  17          2HG1      VAL  17  -5.120   3.936   7.073
  166   HG13  VAL  17          3HG1      VAL  17  -6.057   3.951   5.579
  167   HG21  VAL  17          1HG2      VAL  17  -7.030   5.921   8.032
  168   HG22  VAL  17          2HG2      VAL  17  -5.391   5.433   8.463
  169   HG23  VAL  17          3HG2      VAL  17  -5.748   7.128   8.132
  Start of MODEL    2
    1    H1   GLU   1           H        GLU   1   1.319   1.206  -1.241
    2    HA   GLU   1           HA       GLU   1   2.995  -1.192  -1.238
    3    HB2  GLU   1          2HB       GLU   1   2.656   0.754  -3.514
    4    HB3  GLU   1          3HB       GLU   1   3.211  -0.913  -3.585
    5    HG2  GLU   1          2HG       GLU   1   0.425  -0.067  -2.825
    6    HG3  GLU   1          3HG       GLU   1   0.916  -0.598  -4.433
    7    H    PHE   2           H        PHE   2   3.193   2.305  -1.258
    8    HA   PHE   2           HA       PHE   2   4.914   3.735  -0.849
    9    HB2  PHE   2          2HB       PHE   2   5.383   2.105   1.009
   10    HB3  PHE   2          3HB       PHE   2   6.519   1.297  -0.067
   11    HD1  PHE   2           HD1      PHE   2   8.593   1.662   0.905
   12    HD2  PHE   2           HD2      PHE   2   5.916   4.932   0.397
   13    HE1  PHE   2           HE1      PHE   2  10.365   3.218   1.607
   14    HE2  PHE   2           HE2      PHE   2   7.683   6.493   1.098
   15    HZ   PHE   2           HZ       PHE   2   9.912   5.637   1.703
   16    H    LYS   3           H        LYS   3   4.706   1.837  -3.340
   17    HA   LYS   3           HA       LYS   3   7.312   2.620  -4.472
   18    HB2  LYS   3          2HB       LYS   3   7.050   0.668  -6.016
   19    HB3  LYS   3          3HB       LYS   3   7.266   0.227  -4.327
   20    HG2  LYS   3          2HG       LYS   3   5.457  -1.034  -4.493
   21    HG3  LYS   3          3HG       LYS   3   4.505   0.439  -4.691
   22    HD2  LYS   3          2HD       LYS   3   4.319   0.176  -6.944
   23    HD3  LYS   3          3HD       LYS   3   5.896  -0.603  -7.092
   24    HE2  LYS   3          2HE       LYS   3   4.581  -2.417  -7.469
   25    HE3  LYS   3          3HE       LYS   3   4.645  -2.500  -5.709
   26    HZ1  LYS   3          1HZ       LYS   3   2.535  -0.813  -6.656
   27    HZ2  LYS   3          2HZ       LYS   3   2.476  -2.100  -5.560
   28    HZ3  LYS   3          3HZ       LYS   3   2.385  -2.400  -7.222
   29    H    ARG   4           H        ARG   4   4.031   3.140  -4.541
   30    HA   ARG   4           HA       ARG   4   3.939   3.781  -7.394
   31    HB2  ARG   4          2HB       ARG   4   1.987   3.026  -5.385
   32    HB3  ARG   4          3HB       ARG   4   1.493   4.479  -6.244
   33    HG2  ARG   4          2HG       ARG   4   2.200   3.010  -8.342
   34    HG3  ARG   4          3HG       ARG   4   1.801   1.704  -7.224
   35    HD2  ARG   4          2HD       ARG   4  -0.393   2.826  -6.820
   36    HD3  ARG   4          3HD       ARG   4   0.016   3.969  -8.099
   37    HE   ARG   4           HE       ARG   4   0.300   1.492  -9.236
   38   HH11  ARG   4          1HH1      ARG   4  -2.264   3.230  -7.648
   39   HH12  ARG   4          2HH1      ARG   4  -3.525   2.449  -8.544
   40   HH21  ARG   4          1HH2      ARG   4  -1.350   0.457 -10.423
   41   HH22  ARG   4          2HH2      ARG   4  -3.004   0.872 -10.122
   42    H    ILE   5           H        ILE   5   5.390   5.579  -7.256
   43    HA   ILE   5           HA       ILE   5   5.897   7.794  -7.141
   44    HB   ILE   5           HB       ILE   5   3.009   8.410  -6.609
   45   HG12  ILE   5          2HG1      ILE   5   3.242   8.419  -9.354
   46   HG13  ILE   5          3HG1      ILE   5   4.141   6.975  -8.901
   47   HG21  ILE   5          1HG2      ILE   5   5.354   9.785  -7.807
   48   HG22  ILE   5          2HG2      ILE   5   3.752  10.175  -8.432
   49   HG23  ILE   5          3HG2      ILE   5   4.111  10.405  -6.721
   50   HD11  ILE   5          1HD1      ILE   5   2.230   5.886  -8.725
   51   HD12  ILE   5          2HD1      ILE   5   1.755   6.958  -7.407
   52   HD13  ILE   5          3HD1      ILE   5   1.328   7.361  -9.070
   53    H    VAL   6           H        VAL   6   5.386   6.076  -4.624
   54    HA   VAL   6           HA       VAL   6   5.162   8.290  -2.696
   55    HB   VAL   6           HB       VAL   6   4.976   5.381  -1.966
   56   HG11  VAL   6          1HG1      VAL   6   5.241   6.734  -0.067
   57   HG12  VAL   6          2HG1      VAL   6   4.153   7.974  -0.693
   58   HG13  VAL   6          3HG1      VAL   6   3.508   6.421  -0.159
   59   HG21  VAL   6          1HG2      VAL   6   2.393   6.120  -1.990
   60   HG22  VAL   6          2HG2      VAL   6   2.985   7.056  -3.363
   61   HG23  VAL   6          3HG2      VAL   6   3.181   5.303  -3.340
   62    H    GLN   7           H        GLN   7   7.491   6.828  -4.300
   63    HA   GLN   7           HA       GLN   7   9.265   5.771  -2.414
   64    HB2  GLN   7          2HB       GLN   7   9.794   5.366  -4.664
   65    HB3  GLN   7          3HB       GLN   7   9.650   7.064  -5.098
   66    HG2  GLN   7          2HG       GLN   7  11.742   7.579  -4.361
   67    HG3  GLN   7          3HG       GLN   7  11.752   6.298  -3.151
   68   HE21  GLN   7          1HE2      GLN   7  12.699   4.413  -3.622
   69   HE22  GLN   7          2HE2      GLN   7  13.356   3.994  -5.164
   70    H    ARG   8           H        ARG   8   8.311   9.012  -3.022
   71    HA   ARG   8           HA       ARG   8  10.646  10.181  -1.759
   72    HB2  ARG   8          2HB       ARG   8   8.178  11.766  -2.297
   73    HB3  ARG   8          3HB       ARG   8   9.866  12.225  -2.474
   74    HG2  ARG   8          2HG       ARG   8  10.004  10.750  -4.464
   75    HG3  ARG   8          3HG       ARG   8   8.270  10.459  -4.314
   76    HD2  ARG   8          2HD       ARG   8   8.175  13.093  -4.303
   77    HD3  ARG   8          3HD       ARG   8   9.725  12.927  -5.127
   78    HE   ARG   8           HE       ARG   8   7.915  11.237  -6.397
   79   HH11  ARG   8          1HH1      ARG   8   8.378  14.646  -5.867
   80   HH12  ARG   8          2HH1      ARG   8   7.599  15.114  -7.342
   81   HH21  ARG   8          1HH2      ARG   8   6.888  11.840  -8.342
   82   HH22  ARG   8          2HH2      ARG   8   6.751  13.517  -8.748
   83    H    ILE   9           H        ILE   9   7.918   8.664  -0.678
   84    HA   ILE   9           HA       ILE   9   6.871   8.509   1.336
   85    HB   ILE   9           HB       ILE   9   9.056  10.174   2.551
   86   HG12  ILE   9          2HG1      ILE   9   9.887   7.546   2.789
   87   HG13  ILE   9          3HG1      ILE   9   9.307   7.631   1.129
   88   HG21  ILE   9          1HG2      ILE   9   6.921   8.489   3.507
   89   HG22  ILE   9          2HG2      ILE   9   8.484   7.929   4.100
   90   HG23  ILE   9          3HG2      ILE   9   7.971   9.589   4.401
   91   HD11  ILE   9          1HD1      ILE   9  11.736   8.648   2.279
   92   HD12  ILE   9          2HD1      ILE   9  11.278   8.472   0.585
   93   HD13  ILE   9          3HD1      ILE   9  10.833   9.929   1.473
   94    H    LYS  10           H        LYS  10   6.792  11.081  -0.414
   95    HA   LYS  10           HA       LYS  10   6.306  13.329   1.105
   96    HB2  LYS  10          2HB       LYS  10   4.800  14.053  -0.732
   97    HB3  LYS  10          3HB       LYS  10   6.342  13.432  -1.307
   98    HG2  LYS  10          2HG       LYS  10   4.982  12.354  -2.754
   99    HG3  LYS  10          3HG       LYS  10   4.939  11.178  -1.438
  100    HD2  LYS  10          2HD       LYS  10   2.720  11.385  -1.471
  101    HD3  LYS  10          3HD       LYS  10   2.944  13.002  -0.799
  102    HE2  LYS  10          2HE       LYS  10   3.023  13.936  -3.048
  103    HE3  LYS  10          3HE       LYS  10   2.851  12.323  -3.738
  104    HZ1  LYS  10          1HZ       LYS  10   0.851  13.905  -2.245
  105    HZ2  LYS  10          2HZ       LYS  10   0.698  12.229  -2.411
  106    HZ3  LYS  10          3HZ       LYS  10   0.717  13.216  -3.784
  107    H    ASP  11           H        ASP  11   4.211  10.569   0.521
  108    HA   ASP  11           HA       ASP  11   2.281  11.711   2.434
  109    HB2  ASP  11          2HB       ASP  11   1.857  10.190  -0.108
  110    HB3  ASP  11          3HB       ASP  11   0.682  10.027   1.194
  111    H    PHE  12           H        PHE  12   2.638   8.470   1.033
  112    HA   PHE  12           HA       PHE  12   3.053   6.437   1.979
  113    HB2  PHE  12          2HB       PHE  12   4.819   7.927   3.258
  114    HB3  PHE  12          3HB       PHE  12   3.742   7.650   4.623
  115    HD1  PHE  12           HD1      PHE  12   6.653   6.568   3.268
  116    HD2  PHE  12           HD2      PHE  12   2.925   4.998   4.593
  117    HE1  PHE  12           HE1      PHE  12   7.714   4.382   3.653
  118    HE2  PHE  12           HE2      PHE  12   3.981   2.810   4.981
  119    HZ   PHE  12           HZ       PHE  12   6.379   2.500   4.511
  120    H    LEU  13           H        LEU  13   1.949   8.366   4.766
  121    HA   LEU  13           HA       LEU  13  -0.169   6.395   5.213
  122    HB2  LEU  13          2HB       LEU  13   0.445   8.663   7.061
  123    HB3  LEU  13          3HB       LEU  13  -0.241   7.082   7.429
  124    HG   LEU  13           HG       LEU  13   2.636   7.581   6.668
  125   HD11  LEU  13          1HD1      LEU  13   1.574   6.864   9.386
  126   HD12  LEU  13          2HD1      LEU  13   1.867   8.530   8.887
  127   HD13  LEU  13          3HD1      LEU  13   3.202   7.379   8.945
  128   HD21  LEU  13          1HD2      LEU  13   1.348   5.295   6.292
  129   HD22  LEU  13          2HD2      LEU  13   1.684   5.112   8.014
  130   HD23  LEU  13          3HD2      LEU  13   3.012   5.344   6.875
  131    H    ARG  14           H        ARG  14   0.235   9.302   3.681
  132    HA   ARG  14           HA       ARG  14  -2.383  10.382   4.371
  133    HB2  ARG  14          2HB       ARG  14   0.058  11.401   3.078
  134    HB3  ARG  14          3HB       ARG  14  -1.443  11.982   2.370
  135    HG2  ARG  14          2HG       ARG  14  -2.159  12.880   4.475
  136    HG3  ARG  14          3HG       ARG  14  -0.774  12.159   5.298
  137    HD2  ARG  14          2HD       ARG  14   0.640  13.545   3.644
  138    HD3  ARG  14          3HD       ARG  14  -0.844  14.459   3.379
  139    HE   ARG  14           HE       ARG  14  -0.505  14.363   6.108
  140   HH11  ARG  14          1HH1      ARG  14   1.312  15.533   3.379
  141   HH12  ARG  14          2HH1      ARG  14   2.082  16.803   4.270
  142   HH21  ARG  14          1HH2      ARG  14   0.502  16.032   7.292
  143   HH22  ARG  14          2HH2      ARG  14   1.621  17.086   6.496
  144    H    ASN  15           H        ASN  15  -1.489   7.932   2.536
  145    HA   ASN  15           HA       ASN  15  -3.250   8.607   0.277
  146    HB2  ASN  15          2HB       ASN  15  -0.945   6.706   0.571
  147    HB3  ASN  15          3HB       ASN  15  -2.158   6.435  -0.677
  148   HD21  ASN  15          1HD2      ASN  15   0.785   7.570  -0.294
  149   HD22  ASN  15          2HD2      ASN  15   0.816   8.839  -1.466
  150    H    LEU  16           H        LEU  16  -3.570   7.330   3.180
  151    HA   LEU  16           HA       LEU  16  -5.029   4.919   2.449
  152    HB2  LEU  16          2HB       LEU  16  -4.927   6.039   5.216
  153    HB3  LEU  16          3HB       LEU  16  -5.037   4.359   4.695
  154    HG   LEU  16           HG       LEU  16  -2.567   6.080   4.470
  155   HD11  LEU  16          1HD1      LEU  16  -2.729   5.748   6.743
  156   HD12  LEU  16          2HD1      LEU  16  -1.810   4.328   6.243
  157   HD13  LEU  16          3HD1      LEU  16  -3.538   4.190   6.568
  158   HD21  LEU  16          1HD2      LEU  16  -1.589   3.682   4.222
  159   HD22  LEU  16          2HD2      LEU  16  -2.317   4.479   2.827
  160   HD23  LEU  16          3HD2      LEU  16  -3.228   3.263   3.723
  161    H    VAL  17           H        VAL  17  -5.617   8.180   3.602
  162    HA   VAL  17           HA       VAL  17  -8.517   7.668   3.465
  163    HB   VAL  17           HB       VAL  17  -7.089   9.876   4.954
  164   HG11  VAL  17          1HG1      VAL  17 -10.003   9.102   4.865
  165   HG12  VAL  17          2HG1      VAL  17  -9.302  10.316   5.938
  166   HG13  VAL  17          3HG1      VAL  17  -9.285  10.565   4.191
  167   HG21  VAL  17          1HG2      VAL  17  -8.111   7.197   5.778
  168   HG22  VAL  17          2HG2      VAL  17  -6.632   8.031   6.253
  169   HG23  VAL  17          3HG2      VAL  17  -8.183   8.538   6.922
  Start of MODEL    3
    1    H1   GLU   1           H        GLU   1   1.854   0.107   0.243
    2    HA   GLU   1           HA       GLU   1   3.370  -1.638  -1.578
    3    HB2  GLU   1          2HB       GLU   1   1.868   0.917  -2.178
    4    HB3  GLU   1          3HB       GLU   1   2.740  -0.054  -3.356
    5    HG2  GLU   1          2HG       GLU   1   0.800  -1.603  -1.851
    6    HG3  GLU   1          3HG       GLU   1   0.071  -0.258  -2.727
    7    H    PHE   2           H        PHE   2   3.199   1.890  -1.144
    8    HA   PHE   2           HA       PHE   2   4.810   3.471  -0.863
    9    HB2  PHE   2          2HB       PHE   2   5.424   2.069   1.107
   10    HB3  PHE   2          3HB       PHE   2   6.559   1.194   0.085
   11    HD1  PHE   2           HD1      PHE   2   8.623   1.719   1.027
   12    HD2  PHE   2           HD2      PHE   2   5.866   4.837   0.136
   13    HE1  PHE   2           HE1      PHE   2  10.358   3.391   1.524
   14    HE2  PHE   2           HE2      PHE   2   7.597   6.513   0.631
   15    HZ   PHE   2           HZ       PHE   2   9.847   5.792   1.325
   16    H    LYS   3           H        LYS   3   4.729   1.388  -3.213
   17    HA   LYS   3           HA       LYS   3   7.254   2.291  -4.435
   18    HB2  LYS   3          2HB       LYS   3   7.211   0.227  -5.794
   19    HB3  LYS   3          3HB       LYS   3   7.341  -0.105  -4.072
   20    HG2  LYS   3          2HG       LYS   3   5.765  -1.639  -4.632
   21    HG3  LYS   3          3HG       LYS   3   4.712  -0.271  -4.266
   22    HD2  LYS   3          2HD       LYS   3   3.840  -0.631  -6.298
   23    HD3  LYS   3          3HD       LYS   3   5.307   0.137  -6.909
   24    HE2  LYS   3          2HE       LYS   3   5.549  -1.770  -8.071
   25    HE3  LYS   3          3HE       LYS   3   6.159  -2.414  -6.548
   26    HZ1  LYS   3          1HZ       LYS   3   4.536  -3.916  -7.325
   27    HZ2  LYS   3          2HZ       LYS   3   3.427  -2.685  -7.663
   28    HZ3  LYS   3          3HZ       LYS   3   3.804  -3.067  -6.059
   29    H    ARG   4           H        ARG   4   3.938   2.531  -4.496
   30    HA   ARG   4           HA       ARG   4   3.774   2.960  -7.385
   31    HB2  ARG   4          2HB       ARG   4   1.905   2.187  -5.305
   32    HB3  ARG   4          3HB       ARG   4   1.285   3.529  -6.257
   33    HG2  ARG   4          2HG       ARG   4   2.101   1.981  -8.255
   34    HG3  ARG   4          3HG       ARG   4   1.820   0.728  -7.044
   35    HD2  ARG   4          2HD       ARG   4  -0.263   0.836  -7.970
   36    HD3  ARG   4          3HD       ARG   4  -0.437   2.056  -6.709
   37    HE   ARG   4           HE       ARG   4   0.484   3.354  -8.983
   38   HH11  ARG   4          1HH1      ARG   4  -2.329   1.571  -7.973
   39   HH12  ARG   4          2HH1      ARG   4  -3.409   2.423  -9.026
   40   HH21  ARG   4          1HH2      ARG   4  -0.927   4.484 -10.374
   41   HH22  ARG   4          2HH2      ARG   4  -2.610   4.080 -10.392
   42    H    ILE   5           H        ILE   5   5.067   4.879  -7.392
   43    HA   ILE   5           HA       ILE   5   5.381   7.131  -7.445
   44    HB   ILE   5           HB       ILE   5   2.461   7.540  -6.892
   45   HG12  ILE   5          2HG1      ILE   5   2.469   5.747  -8.497
   46   HG13  ILE   5          3HG1      ILE   5   2.087   7.237  -9.353
   47   HG21  ILE   5          1HG2      ILE   5   4.659   9.015  -8.242
   48   HG22  ILE   5          2HG2      ILE   5   3.017   9.227  -8.849
   49   HG23  ILE   5          3HG2      ILE   5   3.391   9.606  -7.168
   50   HD11  ILE   5          1HD1      ILE   5   3.622   5.865 -10.628
   51   HD12  ILE   5          2HD1      ILE   5   4.397   7.371 -10.135
   52   HD13  ILE   5          3HD1      ILE   5   4.766   5.870  -9.287
   53    H    VAL   6           H        VAL   6   5.089   5.563  -4.811
   54    HA   VAL   6           HA       VAL   6   4.650   7.858  -3.023
   55    HB   VAL   6           HB       VAL   6   4.883   5.009  -2.096
   56   HG11  VAL   6          1HG1      VAL   6   3.686   7.534  -0.984
   57   HG12  VAL   6          2HG1      VAL   6   3.350   5.939  -0.307
   58   HG13  VAL   6          3HG1      VAL   6   5.000   6.563  -0.322
   59   HG21  VAL   6          1HG2      VAL   6   3.092   4.581  -3.408
   60   HG22  VAL   6          2HG2      VAL   6   2.220   5.377  -2.097
   61   HG23  VAL   6          3HG2      VAL   6   2.650   6.283  -3.548
   62    H    GLN   7           H        GLN   7   7.108   6.510  -4.598
   63    HA   GLN   7           HA       GLN   7   9.054   5.862  -2.717
   64    HB2  GLN   7          2HB       GLN   7   9.634   7.322  -5.288
   65    HB3  GLN   7          3HB       GLN   7  10.658   6.170  -4.442
   66    HG2  GLN   7          2HG       GLN   7   8.886   4.438  -4.914
   67    HG3  GLN   7          3HG       GLN   7   8.145   5.621  -5.990
   68   HE21  GLN   7          1HE2      GLN   7   9.911   2.976  -6.062
   69   HE22  GLN   7          2HE2      GLN   7  10.919   3.277  -7.433
   70    H    ARG   8           H        ARG   8   7.841   8.964  -3.741
   71    HA   ARG   8           HA       ARG   8   9.975  10.522  -2.671
   72    HB2  ARG   8          2HB       ARG   8   8.687  11.578  -4.338
   73    HB3  ARG   8          3HB       ARG   8   7.171  11.152  -3.555
   74    HG2  ARG   8          2HG       ARG   8   7.636  13.519  -3.318
   75    HG3  ARG   8          3HG       ARG   8   7.660  12.717  -1.746
   76    HD2  ARG   8          2HD       ARG   8   9.515  14.205  -1.806
   77    HD3  ARG   8          3HD       ARG   8  10.153  12.569  -1.965
   78    HE   ARG   8           HE       ARG   8   9.682  13.827  -4.493
   79   HH11  ARG   8          1HH1      ARG   8  11.929  13.535  -1.850
   80   HH12  ARG   8          2HH1      ARG   8  13.311  13.951  -2.808
   81   HH21  ARG   8          1HH2      ARG   8  11.494  14.377  -5.765
   82   HH22  ARG   8          2HH2      ARG   8  13.063  14.431  -5.034
   83    H    ILE   9           H        ILE   9   7.413   8.818  -1.260
   84    HA   ILE   9           HA       ILE   9   6.633   8.641   0.870
   85    HB   ILE   9           HB       ILE   9   8.931  10.351   1.783
   86   HG12  ILE   9          2HG1      ILE   9   9.713   7.667   1.964
   87   HG13  ILE   9          3HG1      ILE   9   9.042   7.838   0.346
   88   HG21  ILE   9          1HG2      ILE   9   6.945   8.657   3.034
   89   HG22  ILE   9          2HG2      ILE   9   8.585   8.180   3.471
   90   HG23  ILE   9          3HG2      ILE   9   8.042   9.833   3.757
   91   HD11  ILE   9          1HD1      ILE   9  11.403   9.195   1.563
   92   HD12  ILE   9          2HD1      ILE   9  11.272   8.324   0.035
   93   HD13  ILE   9          3HD1      ILE   9  10.553   9.926   0.201
   94    H    LYS  10           H        LYS  10   6.335  11.231  -0.861
   95    HA   LYS  10           HA       LYS  10   5.965  13.457   0.718
   96    HB2  LYS  10          2HB       LYS  10   4.268  14.168  -0.949
   97    HB3  LYS  10          3HB       LYS  10   5.751  13.575  -1.685
   98    HG2  LYS  10          2HG       LYS  10   4.258  12.490  -2.993
   99    HG3  LYS  10          3HG       LYS  10   4.382  11.301  -1.695
  100    HD2  LYS  10          2HD       LYS  10   2.167  11.460  -1.495
  101    HD3  LYS  10          3HD       LYS  10   2.434  13.066  -0.812
  102    HE2  LYS  10          2HE       LYS  10   2.579  13.583  -3.477
  103    HE3  LYS  10          3HE       LYS  10   1.400  12.273  -3.445
  104    HZ1  LYS  10          1HZ       LYS  10   0.866  14.895  -2.994
  105    HZ2  LYS  10          2HZ       LYS  10   0.930  14.258  -1.428
  106    HZ3  LYS  10          3HZ       LYS  10  -0.137  13.602  -2.566
  107    H    ASP  11           H        ASP  11   3.902  10.643   0.370
  108    HA   ASP  11           HA       ASP  11   2.132  11.757   2.447
  109    HB2  ASP  11          2HB       ASP  11   1.518  10.231  -0.042
  110    HB3  ASP  11          3HB       ASP  11   0.504   9.957   1.372
  111    H    PHE  12           H        PHE  12   2.467   8.505   1.062
  112    HA   PHE  12           HA       PHE  12   3.040   6.504   1.992
  113    HB2  PHE  12          2HB       PHE  12   4.882   8.046   3.056
  114    HB3  PHE  12          3HB       PHE  12   3.942   7.817   4.527
  115    HD1  PHE  12           HD1      PHE  12   6.735   6.716   2.969
  116    HD2  PHE  12           HD2      PHE  12   3.162   5.152   4.673
  117    HE1  PHE  12           HE1      PHE  12   7.862   4.562   3.346
  118    HE2  PHE  12           HE2      PHE  12   4.284   2.995   5.053
  119    HZ   PHE  12           HZ       PHE  12   6.637   2.698   4.390
  120    H    LEU  13           H        LEU  13   2.142   8.441   4.846
  121    HA   LEU  13           HA       LEU  13   0.142   6.411   5.517
  122    HB2  LEU  13          2HB       LEU  13   0.862   8.716   7.278
  123    HB3  LEU  13          3HB       LEU  13   0.265   7.118   7.723
  124    HG   LEU  13           HG       LEU  13   3.039   7.702   6.687
  125   HD11  LEU  13          1HD1      LEU  13   2.410   8.617   8.984
  126   HD12  LEU  13          2HD1      LEU  13   3.828   7.574   8.885
  127   HD13  LEU  13          3HD1      LEU  13   2.302   6.931   9.491
  128   HD21  LEU  13          1HD2      LEU  13   3.541   5.462   7.030
  129   HD22  LEU  13          2HD2      LEU  13   1.927   5.400   6.321
  130   HD23  LEU  13          3HD2      LEU  13   2.135   5.200   8.062
  131    H    ARG  14           H        ARG  14   0.306   9.310   3.928
  132    HA   ARG  14           HA       ARG  14  -2.416  10.091   4.727
  133    HB2  ARG  14          2HB       ARG  14  -0.095  11.637   3.625
  134    HB3  ARG  14          3HB       ARG  14  -1.734  12.233   3.402
  135    HG2  ARG  14          2HG       ARG  14  -1.724  11.682   6.063
  136    HG3  ARG  14          3HG       ARG  14  -0.055  12.188   5.796
  137    HD2  ARG  14          2HD       ARG  14  -2.493  13.746   4.947
  138    HD3  ARG  14          3HD       ARG  14  -1.555  14.058   6.407
  139    HE   ARG  14           HE       ARG  14   0.174  14.100   4.202
  140   HH11  ARG  14          1HH1      ARG  14  -2.451  15.936   5.567
  141   HH12  ARG  14          2HH1      ARG  14  -1.909  17.445   4.911
  142   HH21  ARG  14          1HH2      ARG  14   0.897  16.081   3.333
  143   HH22  ARG  14          2HH2      ARG  14  -0.005  17.526   3.640
  144    H    ASN  15           H        ASN  15  -1.081   8.171   2.566
  145    HA   ASN  15           HA       ASN  15  -2.525   9.159   0.222
  146    HB2  ASN  15          2HB       ASN  15  -0.069   8.033   0.395
  147    HB3  ASN  15          3HB       ASN  15  -1.041   6.604   0.059
  148   HD21  ASN  15          1HD2      ASN  15   0.953   7.913  -1.595
  149   HD22  ASN  15          2HD2      ASN  15   0.155   8.344  -3.066
  150    H    LEU  16           H        LEU  16  -3.402   7.566   2.841
  151    HA   LEU  16           HA       LEU  16  -5.090   5.629   1.400
  152    HB2  LEU  16          2HB       LEU  16  -5.307   4.476   3.589
  153    HB3  LEU  16          3HB       LEU  16  -3.672   4.484   2.932
  154    HG   LEU  16           HG       LEU  16  -3.920   6.727   4.652
  155   HD11  LEU  16          1HD1      LEU  16  -4.873   4.148   5.887
  156   HD12  LEU  16          2HD1      LEU  16  -5.812   5.627   5.694
  157   HD13  LEU  16          3HD1      LEU  16  -4.419   5.603   6.775
  158   HD21  LEU  16          1HD2      LEU  16  -2.502   4.169   5.312
  159   HD22  LEU  16          2HD2      LEU  16  -2.020   5.830   5.659
  160   HD23  LEU  16          3HD2      LEU  16  -1.942   5.215   4.007
  161    H    VAL  17           H        VAL  17  -5.014   8.264   3.691
  162    HA   VAL  17           HA       VAL  17  -7.843   8.080   4.281
  163    HB   VAL  17           HB       VAL  17  -5.935  10.312   4.985
  164   HG11  VAL  17          1HG1      VAL  17  -8.761   9.808   5.469
  165   HG12  VAL  17          2HG1      VAL  17  -7.851  10.112   6.951
  166   HG13  VAL  17          3HG1      VAL  17  -7.829  11.296   5.642
  167   HG21  VAL  17          1HG2      VAL  17  -6.622   7.789   6.483
  168   HG22  VAL  17          2HG2      VAL  17  -5.035   8.291   5.899
  169   HG23  VAL  17          3HG2      VAL  17  -5.814   9.180   7.208
  Start of MODEL    4
    1    H1   GLU   1           H        GLU   1   1.224   1.320  -0.195
    2    HA   GLU   1           HA       GLU   1   2.921  -1.049  -0.209
    3    HB2  GLU   1          2HB       GLU   1   2.410   0.808  -2.526
    4    HB3  GLU   1          3HB       GLU   1   2.942  -0.867  -2.576
    5    HG2  GLU   1          2HG       GLU   1   0.731  -1.516  -1.619
    6    HG3  GLU   1          3HG       GLU   1   0.221   0.160  -1.816
    7    H    PHE   2           H        PHE   2   3.156   2.440  -0.383
    8    HA   PHE   2           HA       PHE   2   4.921   3.860  -0.178
    9    HB2  PHE   2          2HB       PHE   2   5.535   2.309   1.697
   10    HB3  PHE   2          3HB       PHE   2   6.548   1.422   0.562
   11    HD1  PHE   2           HD1      PHE   2   6.077   5.090   0.888
   12    HD2  PHE   2           HD2      PHE   2   8.708   1.775   1.337
   13    HE1  PHE   2           HE1      PHE   2   7.937   6.633   1.349
   14    HE2  PHE   2           HE2      PHE   2  10.572   3.312   1.801
   15    HZ   PHE   2           HZ       PHE   2  10.188   5.745   1.808
   16    H    LYS   3           H        LYS   3   4.481   1.865  -2.566
   17    HA   LYS   3           HA       LYS   3   6.983   2.579  -3.951
   18    HB2  LYS   3          2HB       LYS   3   6.614   0.567  -5.370
   19    HB3  LYS   3          3HB       LYS   3   6.917   0.187  -3.680
   20    HG2  LYS   3          2HG       LYS   3   5.082  -1.048  -3.691
   21    HG3  LYS   3          3HG       LYS   3   4.140   0.428  -3.911
   22    HD2  LYS   3          2HD       LYS   3   3.535  -1.105  -5.647
   23    HD3  LYS   3          3HD       LYS   3   4.486   0.193  -6.373
   24    HE2  LYS   3          2HE       LYS   3   6.496  -1.302  -6.151
   25    HE3  LYS   3          3HE       LYS   3   5.392  -2.598  -5.692
   26    HZ1  LYS   3          1HZ       LYS   3   6.033  -1.642  -8.276
   27    HZ2  LYS   3          2HZ       LYS   3   4.370  -1.494  -8.010
   28    HZ3  LYS   3          3HZ       LYS   3   5.122  -2.999  -7.840
   29    H    ARG   4           H        ARG   4   3.713   3.125  -3.755
   30    HA   ARG   4           HA       ARG   4   3.382   3.654  -6.615
   31    HB2  ARG   4          2HB       ARG   4   1.600   2.976  -4.424
   32    HB3  ARG   4          3HB       ARG   4   1.032   4.388  -5.305
   33    HG2  ARG   4          2HG       ARG   4   1.574   2.837  -7.387
   34    HG3  ARG   4          3HG       ARG   4   1.288   1.574  -6.188
   35    HD2  ARG   4          2HD       ARG   4  -0.920   2.067  -5.995
   36    HD3  ARG   4          3HD       ARG   4  -0.671   3.788  -6.286
   37    HE   ARG   4           HE       ARG   4  -0.140   2.541  -8.681
   38   HH11  ARG   4          1HH1      ARG   4  -2.846   2.785  -6.505
   39   HH12  ARG   4          2HH1      ARG   4  -4.034   2.622  -7.755
   40   HH21  ARG   4          1HH2      ARG   4  -1.695   2.325 -10.337
   41   HH22  ARG   4          2HH2      ARG   4  -3.378   2.360  -9.935
   42    H    ILE   5           H        ILE   5   4.811   5.462  -6.685
   43    HA   ILE   5           HA       ILE   5   5.292   7.685  -6.722
   44    HB   ILE   5           HB       ILE   5   2.496   8.307  -5.829
   45   HG12  ILE   5          2HG1      ILE   5   2.174   6.581  -7.475
   46   HG13  ILE   5          3HG1      ILE   5   1.826   8.128  -8.239
   47   HG21  ILE   5          1HG2      ILE   5   4.652   9.650  -7.365
   48   HG22  ILE   5          2HG2      ILE   5   2.982  10.010  -7.797
   49   HG23  ILE   5          3HG2      ILE   5   3.549  10.302  -6.153
   50   HD11  ILE   5          1HD1      ILE   5   4.372   6.550  -8.519
   51   HD12  ILE   5          2HD1      ILE   5   3.087   6.687  -9.720
   52   HD13  ILE   5          3HD1      ILE   5   4.035   8.106  -9.276
   53    H    VAL   6           H        VAL   6   5.129   6.037  -4.113
   54    HA   VAL   6           HA       VAL   6   5.171   8.313  -2.242
   55    HB   VAL   6           HB       VAL   6   5.041   5.443  -1.370
   56   HG11  VAL   6          1HG1      VAL   6   3.804   6.554   0.542
   57   HG12  VAL   6          2HG1      VAL   6   5.522   6.932   0.400
   58   HG13  VAL   6          3HG1      VAL   6   4.313   8.094  -0.149
   59   HG21  VAL   6          1HG2      VAL   6   3.126   5.336  -2.591
   60   HG22  VAL   6          2HG2      VAL   6   2.477   6.127  -1.154
   61   HG23  VAL   6          3HG2      VAL   6   2.887   7.084  -2.578
   62    H    GLN   7           H        GLN   7   7.257   6.787  -4.080
   63    HA   GLN   7           HA       GLN   7   9.232   5.716  -2.421
   64    HB2  GLN   7          2HB       GLN   7   9.824   7.241  -4.949
   65    HB3  GLN   7          3HB       GLN   7  10.702   5.876  -4.272
   66    HG2  GLN   7          2HG       GLN   7   8.627   4.500  -4.683
   67    HG3  GLN   7          3HG       GLN   7   8.019   5.866  -5.618
   68   HE21  GLN   7          1HE2      GLN   7   8.441   3.318  -6.681
   69   HE22  GLN   7          2HE2      GLN   7   9.707   3.415  -7.852
   70    H    ARG   8           H        ARG   8   8.340   9.000  -3.061
   71    HA   ARG   8           HA       ARG   8  10.802  10.087  -1.978
   72    HB2  ARG   8          2HB       ARG   8   8.394  11.785  -2.430
   73    HB3  ARG   8          3HB       ARG   8  10.090  12.140  -2.731
   74    HG2  ARG   8          2HG       ARG   8  10.017  10.583  -4.663
   75    HG3  ARG   8          3HG       ARG   8   8.281  10.405  -4.395
   76    HD2  ARG   8          2HD       ARG   8   7.820  12.396  -5.318
   77    HD3  ARG   8          3HD       ARG   8   9.180  13.183  -4.519
   78    HE   ARG   8           HE       ARG   8  10.390  12.919  -6.434
   79   HH11  ARG   8          1HH1      ARG   8   7.706  10.702  -6.494
   80   HH12  ARG   8          2HH1      ARG   8   8.014  10.170  -8.114
   81   HH21  ARG   8          1HH2      ARG   8  10.805  12.226  -8.567
   82   HH22  ARG   8          2HH2      ARG   8   9.777  11.036  -9.292
   83    H    ILE   9           H        ILE   9   8.094   8.736  -0.675
   84    HA   ILE   9           HA       ILE   9   7.166   8.703   1.402
   85    HB   ILE   9           HB       ILE   9   9.473  10.339   2.414
   86   HG12  ILE   9          2HG1      ILE   9  10.231   7.695   2.714
   87   HG13  ILE   9          3HG1      ILE   9   9.558   7.735   1.088
   88   HG21  ILE   9          1HG2      ILE   9   7.348   8.762   3.562
   89   HG22  ILE   9          2HG2      ILE   9   8.927   8.183   4.090
   90   HG23  ILE   9          3HG2      ILE   9   8.476   9.869   4.345
   91   HD11  ILE   9          1HD1      ILE   9  11.177   9.991   1.253
   92   HD12  ILE   9          2HD1      ILE   9  12.084   8.704   2.050
   93   HD13  ILE   9          3HD1      ILE   9  11.516   8.488   0.394
   94    H    LYS  10           H        LYS  10   7.067  11.200  -0.453
   95    HA   LYS  10           HA       LYS  10   6.752  13.528   0.985
   96    HB2  LYS  10          2HB       LYS  10   5.154  14.222  -0.784
   97    HB3  LYS  10          3HB       LYS  10   6.632  13.519  -1.427
   98    HG2  LYS  10          2HG       LYS  10   5.132  12.435  -2.731
   99    HG3  LYS  10          3HG       LYS  10   5.156  11.314  -1.367
  100    HD2  LYS  10          2HD       LYS  10   2.944  11.585  -1.259
  101    HD3  LYS  10          3HD       LYS  10   3.264  13.210  -0.649
  102    HE2  LYS  10          2HE       LYS  10   2.842  14.200  -2.677
  103    HE3  LYS  10          3HE       LYS  10   3.281  12.759  -3.593
  104    HZ1  LYS  10          1HZ       LYS  10   1.144  12.257  -3.721
  105    HZ2  LYS  10          2HZ       LYS  10   0.728  13.605  -2.788
  106    HZ3  LYS  10          3HZ       LYS  10   1.058  12.126  -2.036
  107    H    ASP  11           H        ASP  11   4.552  10.810   0.694
  108    HA   ASP  11           HA       ASP  11   2.776  12.117   2.651
  109    HB2  ASP  11          2HB       ASP  11   2.157  10.469   0.233
  110    HB3  ASP  11          3HB       ASP  11   1.068  10.393   1.615
  111    H    PHE  12           H        PHE  12   2.957   8.788   1.435
  112    HA   PHE  12           HA       PHE  12   3.382   6.805   2.478
  113    HB2  PHE  12          2HB       PHE  12   5.280   8.292   3.528
  114    HB3  PHE  12          3HB       PHE  12   4.286   8.183   4.977
  115    HD1  PHE  12           HD1      PHE  12   3.372   5.599   5.278
  116    HD2  PHE  12           HD2      PHE  12   7.035   6.833   3.495
  117    HE1  PHE  12           HE1      PHE  12   4.356   3.403   5.788
  118    HE2  PHE  12           HE2      PHE  12   8.025   4.638   4.001
  119    HZ   PHE  12           HZ       PHE  12   6.685   2.919   5.148
  120    H    LEU  13           H        LEU  13   2.519   8.933   5.204
  121    HA   LEU  13           HA       LEU  13   0.382   7.059   5.908
  122    HB2  LEU  13          2HB       LEU  13   1.191   9.403   7.577
  123    HB3  LEU  13          3HB       LEU  13   0.482   7.870   8.080
  124    HG   LEU  13           HG       LEU  13   3.313   8.214   7.097
  125   HD11  LEU  13          1HD1      LEU  13   2.452   7.692   9.924
  126   HD12  LEU  13          2HD1      LEU  13   2.705   9.324   9.307
  127   HD13  LEU  13          3HD1      LEU  13   4.040   8.172   9.324
  128   HD21  LEU  13          1HD2      LEU  13   3.651   5.977   7.554
  129   HD22  LEU  13          2HD2      LEU  13   2.022   5.968   6.879
  130   HD23  LEU  13          3HD2      LEU  13   2.254   5.875   8.626
  131    H    ARG  14           H        ARG  14   0.768   9.861   4.188
  132    HA   ARG  14           HA       ARG  14  -1.792  11.029   4.973
  133    HB2  ARG  14          2HB       ARG  14   0.623  12.110   4.050
  134    HB3  ARG  14          3HB       ARG  14  -0.511  12.317   2.722
  135    HG2  ARG  14          2HG       ARG  14  -2.034  13.519   4.146
  136    HG3  ARG  14          3HG       ARG  14  -1.015  13.208   5.553
  137    HD2  ARG  14          2HD       ARG  14   0.701  14.610   4.741
  138    HD3  ARG  14          3HD       ARG  14  -0.011  14.675   3.129
  139    HE   ARG  14           HE       ARG  14  -1.781  15.741   5.077
  140   HH11  ARG  14          1HH1      ARG  14   1.093  16.469   3.253
  141   HH12  ARG  14          2HH1      ARG  14   0.844  18.183   3.295
  142   HH21  ARG  14          1HH2      ARG  14  -2.121  17.996   5.139
  143   HH22  ARG  14          2HH2      ARG  14  -0.985  19.050   4.369
  144    H    ASN  15           H        ASN  15  -1.003   8.524   3.164
  145    HA   ASN  15           HA       ASN  15  -2.617   9.182   0.822
  146    HB2  ASN  15          2HB       ASN  15  -0.368   7.817   0.869
  147    HB3  ASN  15          3HB       ASN  15  -1.428   6.474   1.289
  148   HD21  ASN  15          1HD2      ASN  15  -0.981   5.413  -0.636
  149   HD22  ASN  15          2HD2      ASN  15  -1.628   5.941  -2.148
  150    H    LEU  16           H        LEU  16  -3.365   8.414   3.823
  151    HA   LEU  16           HA       LEU  16  -5.266   7.617   4.798
  152    HB2  LEU  16          2HB       LEU  16  -6.275   6.726   2.122
  153    HB3  LEU  16          3HB       LEU  16  -7.193   7.238   3.536
  154    HG   LEU  16           HG       LEU  16  -5.650   8.986   1.627
  155   HD11  LEU  16          1HD1      LEU  16  -7.838   8.243   0.837
  156   HD12  LEU  16          2HD1      LEU  16  -7.834   9.971   1.189
  157   HD13  LEU  16          3HD1      LEU  16  -8.581   8.843   2.320
  158   HD21  LEU  16          1HD2      LEU  16  -6.635  10.842   3.053
  159   HD22  LEU  16          2HD2      LEU  16  -5.270   9.959   3.737
  160   HD23  LEU  16          3HD2      LEU  16  -6.910   9.609   4.284
  161    H    VAL  17           H        VAL  17  -4.847   5.443   2.002
  162    HA   VAL  17           HA       VAL  17  -4.737   3.184   3.879
  163    HB   VAL  17           HB       VAL  17  -5.229   3.114   0.899
  164   HG11  VAL  17          1HG1      VAL  17  -5.176   1.032   3.049
  165   HG12  VAL  17          2HG1      VAL  17  -6.171   0.811   1.608
  166   HG13  VAL  17          3HG1      VAL  17  -4.424   1.010   1.455
  167   HG21  VAL  17          1HG2      VAL  17  -7.526   2.315   2.279
  168   HG22  VAL  17          2HG2      VAL  17  -6.980   3.787   3.083
  169   HG23  VAL  17          3HG2      VAL  17  -7.298   3.796   1.348
  Start of MODEL    5
    1    H1   GLU   1           H        GLU   1   1.132   1.422  -0.052
    2    HA   GLU   1           HA       GLU   1   2.702  -1.060  -0.014
    3    HB2  GLU   1          2HB       GLU   1   2.270   0.735  -2.396
    4    HB3  GLU   1          3HB       GLU   1   2.798  -0.942  -2.383
    5    HG2  GLU   1          2HG       GLU   1   0.067   0.007  -1.551
    6    HG3  GLU   1          3HG       GLU   1   0.471  -0.657  -3.133
    7    H    PHE   2           H        PHE   2   2.944   2.424  -0.281
    8    HA   PHE   2           HA       PHE   2   4.702   3.850  -0.057
    9    HB2  PHE   2          2HB       PHE   2   5.248   2.357   1.884
   10    HB3  PHE   2          3HB       PHE   2   6.299   1.436   0.814
   11    HD1  PHE   2           HD1      PHE   2   8.430   1.812   1.655
   12    HD2  PHE   2           HD2      PHE   2   5.821   5.113   1.011
   13    HE1  PHE   2           HE1      PHE   2  10.278   3.362   2.138
   14    HE2  PHE   2           HE2      PHE   2   7.665   6.668   1.492
   15    HZ   PHE   2           HZ       PHE   2   9.898   5.794   2.055
   16    H    LYS   3           H        LYS   3   4.345   1.783  -2.397
   17    HA   LYS   3           HA       LYS   3   6.895   2.456  -3.714
   18    HB2  LYS   3          2HB       LYS   3   6.564   0.401  -5.088
   19    HB3  LYS   3          3HB       LYS   3   6.825   0.075  -3.379
   20    HG2  LYS   3          2HG       LYS   3   5.015  -1.200  -3.452
   21    HG3  LYS   3          3HG       LYS   3   4.070   0.281  -3.623
   22    HD2  LYS   3          2HD       LYS   3   3.373  -0.556  -5.573
   23    HD3  LYS   3          3HD       LYS   3   4.991  -0.200  -6.183
   24    HE2  LYS   3          2HE       LYS   3   4.647  -2.743  -4.710
   25    HE3  LYS   3          3HE       LYS   3   3.881  -2.636  -6.295
   26    HZ1  LYS   3          1HZ       LYS   3   6.671  -1.778  -6.034
   27    HZ2  LYS   3          2HZ       LYS   3   5.878  -2.479  -7.354
   28    HZ3  LYS   3          3HZ       LYS   3   6.342  -3.437  -6.039
   29    H    ARG   4           H        ARG   4   3.621   3.006  -3.650
   30    HA   ARG   4           HA       ARG   4   3.391   3.448  -6.535
   31    HB2  ARG   4          2HB       ARG   4   1.532   2.837  -4.390
   32    HB3  ARG   4          3HB       ARG   4   0.998   4.222  -5.333
   33    HG2  ARG   4          2HG       ARG   4   1.617   2.602  -7.343
   34    HG3  ARG   4          3HG       ARG   4   1.275   1.382  -6.115
   35    HD2  ARG   4          2HD       ARG   4  -0.574   3.619  -6.938
   36    HD3  ARG   4          3HD       ARG   4  -0.713   1.936  -7.444
   37    HE   ARG   4           HE       ARG   4  -0.736   1.796  -4.734
   38   HH11  ARG   4          1HH1      ARG   4  -2.581   3.587  -7.080
   39   HH12  ARG   4          2HH1      ARG   4  -4.015   3.637  -6.109
   40   HH21  ARG   4          1HH2      ARG   4  -2.617   1.854  -3.445
   41   HH22  ARG   4          2HH2      ARG   4  -4.034   2.652  -4.040
   42    H    ILE   5           H        ILE   5   4.823   5.253  -6.610
   43    HA   ILE   5           HA       ILE   5   5.307   7.475  -6.697
   44    HB   ILE   5           HB       ILE   5   2.483   8.122  -5.921
   45   HG12  ILE   5          2HG1      ILE   5   2.217   6.348  -7.524
   46   HG13  ILE   5          3HG1      ILE   5   1.896   7.871  -8.346
   47   HG21  ILE   5          1HG2      ILE   5   4.692   9.419  -7.423
   48   HG22  ILE   5          2HG2      ILE   5   3.036   9.767  -7.920
   49   HG23  ILE   5          3HG2      ILE   5   3.550  10.107  -6.268
   50   HD11  ILE   5          1HD1      ILE   5   3.207   6.385  -9.738
   51   HD12  ILE   5          2HD1      ILE   5   4.141   7.818  -9.306
   52   HD13  ILE   5          3HD1      ILE   5   4.449   6.285  -8.490
   53    H    VAL   6           H        VAL   6   5.052   5.906  -4.047
   54    HA   VAL   6           HA       VAL   6   5.031   8.237  -2.245
   55    HB   VAL   6           HB       VAL   6   4.870   5.396  -1.291
   56   HG11  VAL   6          1HG1      VAL   6   3.568   6.562   0.541
   57   HG12  VAL   6          2HG1      VAL   6   5.289   6.940   0.447
   58   HG13  VAL   6          3HG1      VAL   6   4.099   8.082  -0.179
   59   HG21  VAL   6          1HG2      VAL   6   2.741   7.021  -2.582
   60   HG22  VAL   6          2HG2      VAL   6   3.011   5.278  -2.618
   61   HG23  VAL   6          3HG2      VAL   6   2.308   6.032  -1.188
   62    H    GLN   7           H        GLN   7   7.179   6.657  -3.963
   63    HA   GLN   7           HA       GLN   7   9.095   5.637  -2.205
   64    HB2  GLN   7          2HB       GLN   7   9.775   7.086  -4.756
   65    HB3  GLN   7          3HB       GLN   7  10.628   5.742  -4.008
   66    HG2  GLN   7          2HG       GLN   7   8.567   4.353  -4.450
   67    HG3  GLN   7          3HG       GLN   7   7.993   5.690  -5.445
   68   HE21  GLN   7          1HE2      GLN   7   8.049   4.619  -7.369
   69   HE22  GLN   7          2HE2      GLN   7   9.510   4.097  -8.129
   70    H    ARG   8           H        ARG   8   8.228   8.900  -2.974
   71    HA   ARG   8           HA       ARG   8  10.651  10.020  -1.838
   72    HB2  ARG   8          2HB       ARG   8   8.265  11.704  -2.429
   73    HB3  ARG   8          3HB       ARG   8   9.971  12.048  -2.680
   74    HG2  ARG   8          2HG       ARG   8   9.961  10.431  -4.565
   75    HG3  ARG   8          3HG       ARG   8   8.217  10.265  -4.352
   76    HD2  ARG   8          2HD       ARG   8   8.289  12.892  -4.524
   77    HD3  ARG   8          3HD       ARG   8   9.803  12.571  -5.370
   78    HE   ARG   8           HE       ARG   8   7.605  11.007  -6.345
   79   HH11  ARG   8          1HH1      ARG   8   9.231  14.079  -6.555
   80   HH12  ARG   8          2HH1      ARG   8   8.665  14.416  -8.158
   81   HH21  ARG   8          1HH2      ARG   8   6.854  11.440  -8.455
   82   HH22  ARG   8          2HH2      ARG   8   7.313  12.915  -9.237
   83    H    ILE   9           H        ILE   9   7.898   8.709  -0.593
   84    HA   ILE   9           HA       ILE   9   6.895   8.741   1.450
   85    HB   ILE   9           HB       ILE   9   9.169  10.406   2.491
   86   HG12  ILE   9          2HG1      ILE   9   9.903   7.768   2.902
   87   HG13  ILE   9          3HG1      ILE   9   9.295   7.763   1.251
   88   HG21  ILE   9          1HG2      ILE   9   7.001   8.867   3.613
   89   HG22  ILE   9          2HG2      ILE   9   8.560   8.311   4.218
   90   HG23  ILE   9          3HG2      ILE   9   8.098  10.003   4.398
   91   HD11  ILE   9          1HD1      ILE   9  10.909  10.012   1.387
   92   HD12  ILE   9          2HD1      ILE   9  11.779   8.776   2.296
   93   HD13  ILE   9          3HD1      ILE   9  11.296   8.469   0.628
   94    H    LYS  10           H        LYS  10   6.867  11.180  -0.483
   95    HA   LYS  10           HA       LYS  10   6.504  13.551   0.869
   96    HB2  LYS  10          2HB       LYS  10   4.970  14.191  -0.976
   97    HB3  LYS  10          3HB       LYS  10   6.467  13.464  -1.545
   98    HG2  LYS  10          2HG       LYS  10   5.010  12.341  -2.864
   99    HG3  LYS  10          3HG       LYS  10   4.983  11.266  -1.465
  100    HD2  LYS  10          2HD       LYS  10   2.777  11.556  -1.389
  101    HD3  LYS  10          3HD       LYS  10   3.077  13.229  -0.913
  102    HE2  LYS  10          2HE       LYS  10   3.040  12.384  -3.795
  103    HE3  LYS  10          3HE       LYS  10   1.561  12.811  -2.936
  104    HZ1  LYS  10          1HZ       LYS  10   3.706  14.511  -3.881
  105    HZ2  LYS  10          2HZ       LYS  10   3.133  14.884  -2.334
  106    HZ3  LYS  10          3HZ       LYS  10   2.067  14.862  -3.648
  107    H    ASP  11           H        ASP  11   4.310  10.826   0.586
  108    HA   ASP  11           HA       ASP  11   2.470  12.194   2.438
  109    HB2  ASP  11          2HB       ASP  11   1.931  10.464   0.057
  110    HB3  ASP  11          3HB       ASP  11   0.792  10.448   1.401
  111    H    PHE  12           H        PHE  12   2.685   8.829   1.333
  112    HA   PHE  12           HA       PHE  12   3.071   6.878   2.450
  113    HB2  PHE  12          2HB       PHE  12   4.936   8.394   3.517
  114    HB3  PHE  12          3HB       PHE  12   3.894   8.331   4.935
  115    HD1  PHE  12           HD1      PHE  12   6.690   6.937   3.598
  116    HD2  PHE  12           HD2      PHE  12   2.960   5.754   5.273
  117    HE1  PHE  12           HE1      PHE  12   7.658   4.758   4.205
  118    HE2  PHE  12           HE2      PHE  12   3.922   3.574   5.883
  119    HZ   PHE  12           HZ       PHE  12   6.274   3.073   5.350
  120    H    LEU  13           H        LEU  13   2.122   9.090   5.079
  121    HA   LEU  13           HA       LEU  13  -0.035   7.238   5.777
  122    HB2  LEU  13          2HB       LEU  13   0.704   9.654   7.376
  123    HB3  LEU  13          3HB       LEU  13  -0.016   8.139   7.917
  124    HG   LEU  13           HG       LEU  13   2.847   8.457   7.018
  125   HD11  LEU  13          1HD1      LEU  13   3.406   8.250   9.392
  126   HD12  LEU  13          2HD1      LEU  13   1.690   8.278   9.797
  127   HD13  LEU  13          3HD1      LEU  13   2.448   9.696   9.072
  128   HD21  LEU  13          1HD2      LEU  13   3.183   6.243   7.670
  129   HD22  LEU  13          2HD2      LEU  13   1.646   6.200   6.805
  130   HD23  LEU  13          3HD2      LEU  13   1.666   6.178   8.569
  131    H    ARG  14           H        ARG  14   0.396   9.971   3.959
  132    HA   ARG  14           HA       ARG  14  -2.303  10.993   4.521
  133    HB2  ARG  14          2HB       ARG  14   0.157  12.236   3.342
  134    HB3  ARG  14          3HB       ARG  14  -1.426  12.906   2.974
  135    HG2  ARG  14          2HG       ARG  14  -1.841  13.392   5.266
  136    HG3  ARG  14          3HG       ARG  14  -0.409  12.494   5.773
  137    HD2  ARG  14          2HD       ARG  14   0.439  14.416   3.888
  138    HD3  ARG  14          3HD       ARG  14  -0.641  15.239   5.012
  139    HE   ARG  14           HE       ARG  14   1.308  13.599   6.325
  140   HH11  ARG  14          1HH1      ARG  14   0.723  16.713   4.883
  141   HH12  ARG  14          2HH1      ARG  14   1.950  17.516   5.805
  142   HH21  ARG  14          1HH2      ARG  14   2.927  14.645   7.545
  143   HH22  ARG  14          2HH2      ARG  14   3.204  16.338   7.319
  144    H    ASN  15           H        ASN  15  -1.037   8.740   2.662
  145    HA   ASN  15           HA       ASN  15  -2.404   9.520   0.187
  146    HB2  ASN  15          2HB       ASN  15   0.009   8.632   0.219
  147    HB3  ASN  15          3HB       ASN  15  -0.706   7.058   0.556
  148   HD21  ASN  15          1HD2      ASN  15   0.086   9.336  -1.815
  149   HD22  ASN  15          2HD2      ASN  15  -0.640   8.543  -3.167
  150    H    LEU  16           H        LEU  16  -3.027   7.880   2.990
  151    HA   LEU  16           HA       LEU  16  -4.791   6.594   3.648
  152    HB2  LEU  16          2HB       LEU  16  -5.750   6.445   0.815
  153    HB3  LEU  16          3HB       LEU  16  -6.689   6.383   2.305
  154    HG   LEU  16           HG       LEU  16  -5.419   8.808   1.042
  155   HD11  LEU  16          1HD1      LEU  16  -8.305   8.289   1.704
  156   HD12  LEU  16          2HD1      LEU  16  -7.594   7.909   0.136
  157   HD13  LEU  16          3HD1      LEU  16  -7.627   9.577   0.707
  158   HD21  LEU  16          1HD2      LEU  16  -5.114   9.293   3.271
  159   HD22  LEU  16          2HD2      LEU  16  -6.514   8.349   3.781
  160   HD23  LEU  16          3HD2      LEU  16  -6.743   9.916   3.002
  161    H    VAL  17           H        VAL  17  -4.180   5.447   0.327
  162    HA   VAL  17           HA       VAL  17  -3.779   2.749   1.414
  163    HB   VAL  17           HB       VAL  17  -4.199   3.526  -1.472
  164   HG11  VAL  17          1HG1      VAL  17  -3.818   0.981  -0.018
  165   HG12  VAL  17          2HG1      VAL  17  -5.043   0.992  -1.288
  166   HG13  VAL  17          3HG1      VAL  17  -3.375   1.425  -1.666
  167   HG21  VAL  17          1HG2      VAL  17  -6.520   2.567  -1.047
  168   HG22  VAL  17          2HG2      VAL  17  -6.169   2.773   0.670
  169   HG23  VAL  17          3HG2      VAL  17  -6.190   4.175  -0.400
  Start of MODEL    6
    1    H1   GLU   1           H        GLU   1   2.011   0.361   1.097
    2    HA   GLU   1           HA       GLU   1   2.561  -1.024  -1.239
    3    HB2  GLU   1          2HB       GLU   1   1.358   1.696  -1.781
    4    HB3  GLU   1          3HB       GLU   1   2.152   0.679  -2.974
    5    HG2  GLU   1          2HG       GLU   1   0.047  -0.742  -1.595
    6    HG3  GLU   1          3HG       GLU   1  -0.546   0.730  -2.362
    7    H    PHE   2           H        PHE   2   2.771   2.487  -0.702
    8    HA   PHE   2           HA       PHE   2   4.540   3.870  -0.333
    9    HB2  PHE   2          2HB       PHE   2   4.950   2.306   1.586
   10    HB3  PHE   2          3HB       PHE   2   6.043   1.399   0.545
   11    HD1  PHE   2           HD1      PHE   2   5.623   5.076   0.825
   12    HD2  PHE   2           HD2      PHE   2   8.127   1.706   1.523
   13    HE1  PHE   2           HE1      PHE   2   7.465   6.580   1.456
   14    HE2  PHE   2           HE2      PHE   2   9.973   3.205   2.156
   15    HZ   PHE   2           HZ       PHE   2   9.643   5.645   2.124
   16    H    LYS   3           H        LYS   3   4.277   1.883  -2.754
   17    HA   LYS   3           HA       LYS   3   6.907   2.550  -3.908
   18    HB2  LYS   3          2HB       LYS   3   6.798   0.542  -5.250
   19    HB3  LYS   3          3HB       LYS   3   6.601   0.115  -3.556
   20    HG2  LYS   3          2HG       LYS   3   4.059   0.614  -4.854
   21    HG3  LYS   3          3HG       LYS   3   4.982  -0.663  -5.651
   22    HD2  LYS   3          2HD       LYS   3   5.089  -0.919  -2.772
   23    HD3  LYS   3          3HD       LYS   3   3.423  -0.903  -3.355
   24    HE2  LYS   3          2HE       LYS   3   5.470  -2.607  -4.714
   25    HE3  LYS   3          3HE       LYS   3   4.732  -3.152  -3.208
   26    HZ1  LYS   3          1HZ       LYS   3   3.041  -2.232  -5.439
   27    HZ2  LYS   3          2HZ       LYS   3   2.657  -3.290  -4.176
   28    HZ3  LYS   3          3HZ       LYS   3   3.659  -3.807  -5.438
   29    H    ARG   4           H        ARG   4   3.638   3.145  -4.010
   30    HA   ARG   4           HA       ARG   4   3.575   3.680  -6.886
   31    HB2  ARG   4          2HB       ARG   4   1.594   3.040  -4.864
   32    HB3  ARG   4          3HB       ARG   4   1.135   4.466  -5.785
   33    HG2  ARG   4          2HG       ARG   4   1.824   2.907  -7.817
   34    HG3  ARG   4          3HG       ARG   4   1.406   1.649  -6.653
   35    HD2  ARG   4          2HD       ARG   4  -0.383   3.957  -7.406
   36    HD3  ARG   4          3HD       ARG   4  -0.490   2.340  -8.100
   37    HE   ARG   4           HE       ARG   4  -0.644   2.359  -5.235
   38   HH11  ARG   4          1HH1      ARG   4  -2.450   2.716  -8.189
   39   HH12  ARG   4          2HH1      ARG   4  -3.962   2.265  -7.473
   40   HH21  ARG   4          1HH2      ARG   4  -2.628   1.764  -4.280
   41   HH22  ARG   4          2HH2      ARG   4  -4.062   1.724  -5.249
   42    H    ILE   5           H        ILE   5   5.050   5.456  -6.818
   43    HA   ILE   5           HA       ILE   5   5.579   7.669  -6.813
   44    HB   ILE   5           HB       ILE   5   2.725   8.352  -6.192
   45   HG12  ILE   5          2HG1      ILE   5   2.524   6.628  -7.858
   46   HG13  ILE   5          3HG1      ILE   5   2.284   8.179  -8.654
   47   HG21  ILE   5          1HG2      ILE   5   5.045   9.644  -7.519
   48   HG22  ILE   5          2HG2      ILE   5   3.430  10.039  -8.105
   49   HG23  ILE   5          3HG2      ILE   5   3.849  10.323  -6.416
   50   HD11  ILE   5          1HD1      ILE   5   4.810   6.545  -8.688
   51   HD12  ILE   5          2HD1      ILE   5   3.650   6.708 -10.007
   52   HD13  ILE   5          3HD1      ILE   5   4.583   8.107  -9.475
   53    H    VAL   6           H        VAL   6   5.133   6.033  -4.229
   54    HA   VAL   6           HA       VAL   6   5.041   8.313  -2.365
   55    HB   VAL   6           HB       VAL   6   4.788   5.456  -1.490
   56   HG11  VAL   6          1HG1      VAL   6   3.279   7.678  -0.257
   57   HG12  VAL   6          2HG1      VAL   6   4.101   6.308   0.493
   58   HG13  VAL   6          3HG1      VAL   6   5.030   7.703  -0.056
   59   HG21  VAL   6          1HG2      VAL   6   3.039   5.394  -2.975
   60   HG22  VAL   6          2HG2      VAL   6   2.233   6.065  -1.557
   61   HG23  VAL   6          3HG2      VAL   6   2.743   7.130  -2.867
   62    H    GLN   7           H        GLN   7   7.264   6.748  -3.996
   63    HA   GLN   7           HA       GLN   7   9.055   5.644  -2.160
   64    HB2  GLN   7          2HB       GLN   7  10.804   6.247  -3.901
   65    HB3  GLN   7          3HB       GLN   7   9.468   5.245  -4.452
   66    HG2  GLN   7          2HG       GLN   7   8.951   8.086  -4.772
   67    HG3  GLN   7          3HG       GLN   7  10.379   7.541  -5.650
   68   HE21  GLN   7          1HE2      GLN   7   9.161   8.059  -7.561
   69   HE22  GLN   7          2HE2      GLN   7   8.016   6.925  -8.183
   70    H    ARG   8           H        ARG   8   8.308   8.949  -2.904
   71    HA   ARG   8           HA       ARG   8  10.666   9.994  -1.588
   72    HB2  ARG   8          2HB       ARG   8   8.324  11.719  -2.248
   73    HB3  ARG   8          3HB       ARG   8  10.043  12.065  -2.379
   74    HG2  ARG   8          2HG       ARG   8  10.143  10.510  -4.319
   75    HG3  ARG   8          3HG       ARG   8   8.386  10.364  -4.227
   76    HD2  ARG   8          2HD       ARG   8   8.282  12.140  -5.567
   77    HD3  ARG   8          3HD       ARG   8   8.841  13.096  -4.196
   78    HE   ARG   8           HE       ARG   8  10.864  13.330  -5.236
   79   HH11  ARG   8          1HH1      ARG   8   9.121  10.708  -6.722
   80   HH12  ARG   8          2HH1      ARG   8  10.270  10.498  -8.003
   81   HH21  ARG   8          1HH2      ARG   8  12.383  13.063  -6.917
   82   HH22  ARG   8          2HH2      ARG   8  12.125  11.838  -8.112
   83    H    ILE   9           H        ILE   9   7.822   8.690  -0.538
   84    HA   ILE   9           HA       ILE   9   6.718   8.663   1.451
   85    HB   ILE   9           HB       ILE   9   8.956  10.247   2.676
   86   HG12  ILE   9          2HG1      ILE   9   9.642   7.588   3.013
   87   HG13  ILE   9          3HG1      ILE   9   9.115   7.654   1.334
   88   HG21  ILE   9          1HG2      ILE   9   6.712   8.701   3.617
   89   HG22  ILE   9          2HG2      ILE   9   8.227   8.082   4.271
   90   HG23  ILE   9          3HG2      ILE   9   7.791   9.774   4.509
   91   HD11  ILE   9          1HD1      ILE   9  10.757   9.883   1.693
   92   HD12  ILE   9          2HD1      ILE   9  11.568   8.546   2.510
   93   HD13  ILE   9          3HD1      ILE   9  11.125   8.402   0.809
   94    H    LYS  10           H        LYS  10   6.836  11.174  -0.387
   95    HA   LYS  10           HA       LYS  10   6.442  13.499   1.034
   96    HB2  LYS  10          2HB       LYS  10   5.019  14.236  -0.862
   97    HB3  LYS  10          3HB       LYS  10   6.533  13.505  -1.379
   98    HG2  LYS  10          2HG       LYS  10   5.134  12.458  -2.816
   99    HG3  LYS  10          3HG       LYS  10   5.011  11.332  -1.462
  100    HD2  LYS  10          2HD       LYS  10   2.808  11.658  -1.514
  101    HD3  LYS  10          3HD       LYS  10   3.109  13.296  -0.930
  102    HE2  LYS  10          2HE       LYS  10   3.602  13.561  -3.596
  103    HE3  LYS  10          3HE       LYS  10   2.321  12.351  -3.594
  104    HZ1  LYS  10          1HZ       LYS  10   1.126  13.951  -2.033
  105    HZ2  LYS  10          2HZ       LYS  10   1.207  14.373  -3.669
  106    HZ3  LYS  10          3HZ       LYS  10   2.240  15.114  -2.553
  107    H    ASP  11           H        ASP  11   4.222  10.827   0.536
  108    HA   ASP  11           HA       ASP  11   2.307  12.163   2.335
  109    HB2  ASP  11          2HB       ASP  11   1.867  10.518  -0.127
  110    HB3  ASP  11          3HB       ASP  11   0.656  10.491   1.151
  111    H    PHE  12           H        PHE  12   2.535   8.834   1.124
  112    HA   PHE  12           HA       PHE  12   2.831   6.840   2.191
  113    HB2  PHE  12          2HB       PHE  12   4.653   8.287   3.413
  114    HB3  PHE  12          3HB       PHE  12   3.531   8.197   4.767
  115    HD1  PHE  12           HD1      PHE  12   6.365   6.781   3.499
  116    HD2  PHE  12           HD2      PHE  12   2.552   5.644   5.013
  117    HE1  PHE  12           HE1      PHE  12   7.262   4.566   4.087
  118    HE2  PHE  12           HE2      PHE  12   3.444   3.429   5.605
  119    HZ   PHE  12           HZ       PHE  12   5.801   2.887   5.143
  120    H    LEU  13           H        LEU  13   1.762   8.974   4.839
  121    HA   LEU  13           HA       LEU  13  -0.462   7.135   5.337
  122    HB2  LEU  13          2HB       LEU  13   0.233   9.459   7.085
  123    HB3  LEU  13          3HB       LEU  13  -0.544   7.937   7.514
  124    HG   LEU  13           HG       LEU  13   2.369   8.233   6.788
  125   HD11  LEU  13          1HD1      LEU  13   1.195   7.783   9.521
  126   HD12  LEU  13          2HD1      LEU  13   1.663   9.372   8.917
  127   HD13  LEU  13          3HD1      LEU  13   2.877   8.106   9.098
  128   HD21  LEU  13          1HD2      LEU  13   1.045   5.916   8.162
  129   HD22  LEU  13          2HD2      LEU  13   2.624   5.983   7.379
  130   HD23  LEU  13          3HD2      LEU  13   1.154   6.014   6.404
  131    H    ARG  14           H        ARG  14   0.125   9.933   3.671
  132    HA   ARG  14           HA       ARG  14  -2.440  11.189   4.249
  133    HB2  ARG  14          2HB       ARG  14   0.062  11.990   2.898
  134    HB3  ARG  14          3HB       ARG  14  -1.416  12.645   2.205
  135    HG2  ARG  14          2HG       ARG  14  -1.813  13.989   3.972
  136    HG3  ARG  14          3HG       ARG  14  -1.164  12.833   5.136
  137    HD2  ARG  14          2HD       ARG  14   1.027  13.518   4.786
  138    HD3  ARG  14          3HD       ARG  14   0.655  14.232   3.217
  139    HE   ARG  14           HE       ARG  14  -0.782  15.718   4.995
  140   HH11  ARG  14          1HH1      ARG  14   2.573  14.852   4.666
  141   HH12  ARG  14          2HH1      ARG  14   3.156  16.310   5.398
  142   HH21  ARG  14          1HH2      ARG  14  -0.027  17.642   5.960
  143   HH22  ARG  14          2HH2      ARG  14   1.676  17.896   6.134
  144    H    ASN  15           H        ASN  15  -1.660   8.593   2.571
  145    HA   ASN  15           HA       ASN  15  -3.517   9.200   0.364
  146    HB2  ASN  15          2HB       ASN  15  -0.870   8.017   0.333
  147    HB3  ASN  15          3HB       ASN  15  -2.060   6.928  -0.375
  148   HD21  ASN  15          1HD2      ASN  15  -1.507   7.110  -2.473
  149   HD22  ASN  15          2HD2      ASN  15  -1.598   8.578  -3.379
  150    H    LEU  16           H        LEU  16  -3.467   7.799   3.235
  151    HA   LEU  16           HA       LEU  16  -4.854   6.310   4.263
  152    HB2  LEU  16          2HB       LEU  16  -6.028   5.561   1.611
  153    HB3  LEU  16          3HB       LEU  16  -6.786   5.541   3.202
  154    HG   LEU  16           HG       LEU  16  -6.175   7.950   1.497
  155   HD11  LEU  16          1HD1      LEU  16  -8.314   7.900   0.881
  156   HD12  LEU  16          2HD1      LEU  16  -8.866   7.586   2.526
  157   HD13  LEU  16          3HD1      LEU  16  -8.344   6.249   1.502
  158   HD21  LEU  16          1HD2      LEU  16  -7.389   9.158   3.381
  159   HD22  LEU  16          2HD2      LEU  16  -5.719   8.679   3.683
  160   HD23  LEU  16          3HD2      LEU  16  -7.044   7.736   4.365
  161    H    VAL  17           H        VAL  17  -4.339   4.823   1.062
  162    HA   VAL  17           HA       VAL  17  -3.537   2.772   0.464
  163    HB   VAL  17           HB       VAL  17  -1.628   3.341   2.735
  164   HG11  VAL  17          1HG1      VAL  17  -1.739   1.197   0.673
  165   HG12  VAL  17          2HG1      VAL  17  -0.163   1.833   1.151
  166   HG13  VAL  17          3HG1      VAL  17  -1.230   1.116   2.360
  167   HG21  VAL  17          1HG2      VAL  17  -0.617   3.644   0.038
  168   HG22  VAL  17          2HG2      VAL  17  -1.985   4.712   0.351
  169   HG23  VAL  17          3HG2      VAL  17  -0.564   4.770   1.394
  Start of MODEL    7
    1    H1   GLU   1           H        GLU   1   1.867   1.001  -0.662
    2    HA   GLU   1           HA       GLU   1   3.143  -1.593  -1.214
    3    HB2  GLU   1          2HB       GLU   1   2.807   0.660  -3.187
    4    HB3  GLU   1          3HB       GLU   1   3.177  -1.026  -3.519
    5    HG2  GLU   1          2HG       GLU   1   0.573  -0.032  -2.387
    6    HG3  GLU   1          3HG       GLU   1   0.863  -0.397  -4.087
    7    H    PHE   2           H        PHE   2   3.699   1.843  -0.823
    8    HA   PHE   2           HA       PHE   2   5.589   3.043  -0.418
    9    HB2  PHE   2          2HB       PHE   2   6.088   1.259   1.214
   10    HB3  PHE   2          3HB       PHE   2   6.889   0.336  -0.053
   11    HD1  PHE   2           HD1      PHE   2   9.057   0.228   0.858
   12    HD2  PHE   2           HD2      PHE   2   7.117   3.990   0.419
   13    HE1  PHE   2           HE1      PHE   2  11.175   1.375   1.362
   14    HE2  PHE   2           HE2      PHE   2   9.231   5.143   0.922
   15    HZ   PHE   2           HZ       PHE   2  11.264   3.836   1.394
   16    H    LYS   3           H        LYS   3   4.990   1.445  -3.080
   17    HA   LYS   3           HA       LYS   3   7.527   2.204  -4.374
   18    HB2  LYS   3          2HB       LYS   3   7.068   0.425  -6.047
   19    HB3  LYS   3          3HB       LYS   3   7.328  -0.202  -4.424
   20    HG2  LYS   3          2HG       LYS   3   5.455  -1.357  -4.702
   21    HG3  LYS   3          3HG       LYS   3   4.593   0.176  -4.552
   22    HD2  LYS   3          2HD       LYS   3   4.185   0.320  -6.782
   23    HD3  LYS   3          3HD       LYS   3   5.698  -0.477  -7.220
   24    HE2  LYS   3          2HE       LYS   3   4.150  -2.075  -7.814
   25    HE3  LYS   3          3HE       LYS   3   4.561  -2.580  -6.176
   26    HZ1  LYS   3          1HZ       LYS   3   2.100  -1.331  -7.171
   27    HZ2  LYS   3          2HZ       LYS   3   2.564  -1.045  -5.570
   28    HZ3  LYS   3          3HZ       LYS   3   2.291  -2.627  -6.102
   29    H    ARG   4           H        ARG   4   4.258   2.823  -4.103
   30    HA   ARG   4           HA       ARG   4   3.983   3.799  -6.849
   31    HB2  ARG   4          2HB       ARG   4   2.152   2.841  -4.808
   32    HB3  ARG   4          3HB       ARG   4   1.635   4.389  -5.464
   33    HG2  ARG   4          2HG       ARG   4   2.165   3.164  -7.756
   34    HG3  ARG   4          3HG       ARG   4   1.828   1.739  -6.771
   35    HD2  ARG   4          2HD       ARG   4  -0.368   2.209  -6.620
   36    HD3  ARG   4          3HD       ARG   4  -0.087   3.942  -6.455
   37    HE   ARG   4           HE       ARG   4  -0.660   2.507  -8.870
   38   HH11  ARG   4          1HH1      ARG   4   0.878   5.331  -7.537
   39   HH12  ARG   4          2HH1      ARG   4   0.748   6.252  -8.998
   40   HH21  ARG   4          1HH2      ARG   4  -0.837   3.709 -10.800
   41   HH22  ARG   4          2HH2      ARG   4  -0.229   5.329 -10.854
   42    H    ILE   5           H        ILE   5   5.458   5.555  -6.626
   43    HA   ILE   5           HA       ILE   5   6.018   7.734  -6.288
   44    HB   ILE   5           HB       ILE   5   3.204   8.308  -5.422
   45   HG12  ILE   5          2HG1      ILE   5   2.908   6.864  -7.323
   46   HG13  ILE   5          3HG1      ILE   5   2.638   8.520  -7.856
   47   HG21  ILE   5          1HG2      ILE   5   5.458   9.796  -6.658
   48   HG22  ILE   5          2HG2      ILE   5   3.815  10.276  -7.077
   49   HG23  ILE   5          3HG2      ILE   5   4.334  10.290  -5.392
   50   HD11  ILE   5          1HD1      ILE   5   5.148   6.914  -8.270
   51   HD12  ILE   5          2HD1      ILE   5   3.924   7.278  -9.487
   52   HD13  ILE   5          3HD1      ILE   5   4.892   8.578  -8.793
   53    H    VAL   6           H        VAL   6   5.730   5.726  -3.972
   54    HA   VAL   6           HA       VAL   6   5.530   7.605  -1.732
   55    HB   VAL   6           HB       VAL   6   5.916   4.630  -1.495
   56   HG11  VAL   6          1HG1      VAL   6   4.840   6.773   0.326
   57   HG12  VAL   6          2HG1      VAL   6   4.692   5.046   0.658
   58   HG13  VAL   6          3HG1      VAL   6   6.288   5.790   0.549
   59   HG21  VAL   6          1HG2      VAL   6   3.363   6.165  -1.920
   60   HG22  VAL   6          2HG2      VAL   6   3.982   4.800  -2.851
   61   HG23  VAL   6          3HG2      VAL   6   3.406   4.554  -1.202
   62    H    GLN   7           H        GLN   7   7.849   6.392  -3.758
   63    HA   GLN   7           HA       GLN   7   9.971   5.671  -2.111
   64    HB2  GLN   7          2HB       GLN   7  11.419   6.491  -4.018
   65    HB3  GLN   7          3HB       GLN   7  10.194   5.303  -4.443
   66    HG2  GLN   7          2HG       GLN   7   9.047   7.875  -4.739
   67    HG3  GLN   7          3HG       GLN   7  10.621   7.884  -5.531
   68   HE21  GLN   7          1HE2      GLN   7   8.013   8.048  -6.744
   69   HE22  GLN   7          2HE2      GLN   7   7.873   6.696  -7.810
   70    H    ARG   8           H        ARG   8   8.622   8.794  -2.803
   71    HA   ARG   8           HA       ARG   8  10.880  10.161  -1.544
   72    HB2  ARG   8          2HB       ARG   8   8.492  11.677  -2.446
   73    HB3  ARG   8          3HB       ARG   8  10.199  12.075  -2.590
   74    HG2  ARG   8          2HG       ARG   8  10.420  10.447  -4.406
   75    HG3  ARG   8          3HG       ARG   8   8.700  10.075  -4.269
   76    HD2  ARG   8          2HD       ARG   8   9.590  12.897  -4.692
   77    HD3  ARG   8          3HD       ARG   8   9.529  11.782  -6.056
   78    HE   ARG   8           HE       ARG   8   7.091  11.534  -4.842
   79   HH11  ARG   8          1HH1      ARG   8   8.934  14.162  -6.191
   80   HH12  ARG   8          2HH1      ARG   8   7.536  15.072  -6.661
   81   HH21  ARG   8          1HH2      ARG   8   5.244  12.723  -5.457
   82   HH22  ARG   8          2HH2      ARG   8   5.438  14.253  -6.242
   83    H    ILE   9           H        ILE   9   8.184   8.629  -0.528
   84    HA   ILE   9           HA       ILE   9   7.033   8.598   1.436
   85    HB   ILE   9           HB       ILE   9   8.841  10.788   2.438
   86   HG12  ILE   9          2HG1      ILE   9  10.289   9.088   1.506
   87   HG13  ILE   9          3HG1      ILE   9  10.322   8.960   3.261
   88   HG21  ILE   9          1HG2      ILE   9   6.909   8.912   3.618
   89   HG22  ILE   9          2HG2      ILE   9   8.424   9.091   4.500
   90   HG23  ILE   9          3HG2      ILE   9   7.426  10.506   4.166
   91   HD11  ILE   9          1HD1      ILE   9  10.230   6.783   2.104
   92   HD12  ILE   9          2HD1      ILE   9   8.872   7.051   3.198
   93   HD13  ILE   9          3HD1      ILE   9   8.651   7.229   1.457
   94    H    LYS  10           H        LYS  10   6.784  10.837  -0.748
   95    HA   LYS  10           HA       LYS  10   5.760  13.162   0.293
   96    HB2  LYS  10          2HB       LYS  10   4.353  13.281  -1.763
   97    HB3  LYS  10          3HB       LYS  10   6.040  12.902  -2.082
   98    HG2  LYS  10          2HG       LYS  10   5.122  11.338  -3.416
   99    HG3  LYS  10          3HG       LYS  10   5.066  10.417  -1.912
  100    HD2  LYS  10          2HD       LYS  10   2.899  10.159  -2.563
  101    HD3  LYS  10          3HD       LYS  10   2.737  11.681  -1.683
  102    HE2  LYS  10          2HE       LYS  10   3.527  12.256  -4.358
  103    HE3  LYS  10          3HE       LYS  10   2.161  11.143  -4.406
  104    HZ1  LYS  10          1HZ       LYS  10   1.750  13.194  -2.481
  105    HZ2  LYS  10          2HZ       LYS  10   0.789  12.759  -3.803
  106    HZ3  LYS  10          3HZ       LYS  10   2.057  13.859  -4.006
  107    H    ASP  11           H        ASP  11   4.150  10.043  -0.059
  108    HA   ASP  11           HA       ASP  11   1.920  11.099   1.553
  109    HB2  ASP  11          2HB       ASP  11   1.929   9.398  -0.885
  110    HB3  ASP  11          3HB       ASP  11   0.741   9.013   0.357
  111    H    PHE  12           H        PHE  12   2.716   7.797   0.549
  112    HA   PHE  12           HA       PHE  12   3.233   5.920   1.730
  113    HB2  PHE  12          2HB       PHE  12   4.733   7.866   2.946
  114    HB3  PHE  12          3HB       PHE  12   3.799   7.232   4.297
  115    HD1  PHE  12           HD1      PHE  12   6.862   7.023   3.004
  116    HD2  PHE  12           HD2      PHE  12   3.593   4.432   3.854
  117    HE1  PHE  12           HE1      PHE  12   8.417   5.125   3.180
  118    HE2  PHE  12           HE2      PHE  12   5.143   2.530   4.033
  119    HZ   PHE  12           HZ       PHE  12   7.558   2.875   3.697
  120    H    LEU  13           H        LEU  13   1.991   8.052   4.300
  121    HA   LEU  13           HA       LEU  13  -0.202   6.125   4.700
  122    HB2  LEU  13          2HB       LEU  13   0.786   7.936   6.864
  123    HB3  LEU  13          3HB       LEU  13  -0.089   6.412   7.000
  124    HG   LEU  13           HG       LEU  13   2.797   6.680   6.158
  125   HD11  LEU  13          1HD1      LEU  13   2.400   7.318   8.511
  126   HD12  LEU  13          2HD1      LEU  13   3.360   5.849   8.348
  127   HD13  LEU  13          3HD1      LEU  13   1.656   5.743   8.786
  128   HD21  LEU  13          1HD2      LEU  13   1.135   4.660   5.535
  129   HD22  LEU  13          2HD2      LEU  13   1.674   4.130   7.128
  130   HD23  LEU  13          3HD2      LEU  13   2.856   4.444   5.856
  131    H    ARG  14           H        ARG  14   0.528   9.182   3.661
  132    HA   ARG  14           HA       ARG  14  -1.843  10.486   4.719
  133    HB2  ARG  14          2HB       ARG  14   0.651  11.364   3.736
  134    HB3  ARG  14          3HB       ARG  14  -0.559  11.963   2.609
  135    HG2  ARG  14          2HG       ARG  14  -1.418  12.375   5.323
  136    HG3  ARG  14          3HG       ARG  14   0.181  13.074   5.056
  137    HD2  ARG  14          2HD       ARG  14  -0.797  14.124   2.959
  138    HD3  ARG  14          3HD       ARG  14  -2.377  13.649   3.582
  139    HE   ARG  14           HE       ARG  14  -0.777  15.164   5.439
  140   HH11  ARG  14          1HH1      ARG  14  -3.098  15.307   2.847
  141   HH12  ARG  14          2HH1      ARG  14  -3.690  16.874   3.289
  142   HH21  ARG  14          1HH2      ARG  14  -1.550  17.227   6.031
  143   HH22  ARG  14          2HH2      ARG  14  -2.809  17.966   5.100
  144    H    ASN  15           H        ASN  15  -1.504   8.213   2.506
  145    HA   ASN  15           HA       ASN  15  -3.269   9.438   0.505
  146    HB2  ASN  15          2HB       ASN  15  -1.037   8.010   0.064
  147    HB3  ASN  15          3HB       ASN  15  -2.206   6.694   0.101
  148   HD21  ASN  15          1HD2      ASN  15  -4.206   7.116  -1.246
  149   HD22  ASN  15          2HD2      ASN  15  -3.945   7.808  -2.808
  150    H    LEU  16           H        LEU  16  -3.677   7.985   3.313
  151    HA   LEU  16           HA       LEU  16  -5.788   6.143   2.445
  152    HB2  LEU  16          2HB       LEU  16  -4.960   6.509   5.292
  153    HB3  LEU  16          3HB       LEU  16  -5.634   5.086   4.499
  154    HG   LEU  16           HG       LEU  16  -2.825   6.122   4.117
  155   HD11  LEU  16          1HD1      LEU  16  -3.947   3.913   5.819
  156   HD12  LEU  16          2HD1      LEU  16  -2.957   5.283   6.321
  157   HD13  LEU  16          3HD1      LEU  16  -2.250   3.994   5.345
  158   HD21  LEU  16          1HD2      LEU  16  -4.311   4.565   2.417
  159   HD22  LEU  16          2HD2      LEU  16  -3.449   3.368   3.384
  160   HD23  LEU  16          3HD2      LEU  16  -2.550   4.603   2.502
  161    H    VAL  17           H        VAL  17  -5.217   9.076   4.284
  162    HA   VAL  17           HA       VAL  17  -8.135   9.446   4.481
  163    HB   VAL  17           HB       VAL  17  -7.246   9.090   6.708
  164   HG11  VAL  17          1HG1      VAL  17  -5.682  11.304   7.280
  165   HG12  VAL  17          2HG1      VAL  17  -5.121   9.642   7.087
  166   HG13  VAL  17          3HG1      VAL  17  -5.089  10.750   5.715
  167   HG21  VAL  17          1HG2      VAL  17  -7.557  11.952   7.011
  168   HG22  VAL  17          2HG2      VAL  17  -8.746  11.280   5.896
  169   HG23  VAL  17          3HG2      VAL  17  -8.616  10.642   7.535
  Start of MODEL    8
    1    H1   GLU   1           H        GLU   1   2.484   2.156   0.016
    2    HA   GLU   1           HA       GLU   1   3.647  -0.541   0.026
    3    HB2  GLU   1          2HB       GLU   1   3.034   1.121  -2.412
    4    HB3  GLU   1          3HB       GLU   1   3.302  -0.614  -2.322
    5    HG2  GLU   1          2HG       GLU   1   1.208  -0.805  -0.994
    6    HG3  GLU   1          3HG       GLU   1   0.924   0.910  -1.290
    7    H    PHE   2           H        PHE   2   4.346   2.827  -0.617
    8    HA   PHE   2           HA       PHE   2   6.313   3.955  -0.817
    9    HB2  PHE   2          2HB       PHE   2   6.975   2.313   1.041
   10    HB3  PHE   2          3HB       PHE   2   7.784   1.394  -0.224
   11    HD1  PHE   2           HD1      PHE   2   7.561   4.936   0.939
   12    HD2  PHE   2           HD2      PHE   2  10.026   1.770  -0.482
   13    HE1  PHE   2           HE1      PHE   2   9.541   6.379   1.167
   14    HE2  PHE   2           HE2      PHE   2  12.009   3.208  -0.255
   15    HZ   PHE   2           HZ       PHE   2  11.769   5.515   0.571
   16    H    LYS   3           H        LYS   3   5.172   1.859  -2.884
   17    HA   LYS   3           HA       LYS   3   7.441   2.111  -4.748
   18    HB2  LYS   3          2HB       LYS   3   6.578   0.058  -5.865
   19    HB3  LYS   3          3HB       LYS   3   7.149  -0.221  -4.225
   20    HG2  LYS   3          2HG       LYS   3   5.214  -1.194  -3.779
   21    HG3  LYS   3          3HG       LYS   3   4.424   0.371  -3.987
   22    HD2  LYS   3          2HD       LYS   3   3.310  -1.146  -5.430
   23    HD3  LYS   3          3HD       LYS   3   4.331  -0.137  -6.457
   24    HE2  LYS   3          2HE       LYS   3   5.746  -2.483  -5.531
   25    HE3  LYS   3          3HE       LYS   3   4.260  -2.919  -6.373
   26    HZ1  LYS   3          1HZ       LYS   3   6.180  -0.984  -7.517
   27    HZ2  LYS   3          2HZ       LYS   3   4.961  -1.849  -8.308
   28    HZ3  LYS   3          3HZ       LYS   3   6.347  -2.650  -7.762
   29    H    ARG   4           H        ARG   4   4.211   2.873  -4.080
   30    HA   ARG   4           HA       ARG   4   3.788   3.710  -6.874
   31    HB2  ARG   4          2HB       ARG   4   2.007   2.349  -4.952
   32    HB3  ARG   4          3HB       ARG   4   1.272   3.667  -5.855
   33    HG2  ARG   4          2HG       ARG   4   2.325   2.470  -7.916
   34    HG3  ARG   4          3HG       ARG   4   2.361   1.074  -6.838
   35    HD2  ARG   4          2HD       ARG   4  -0.182   2.275  -6.571
   36    HD3  ARG   4          3HD       ARG   4   0.163   2.165  -8.296
   37    HE   ARG   4           HE       ARG   4   0.818  -0.294  -7.318
   38   HH11  ARG   4          1HH1      ARG   4  -2.032   1.703  -7.228
   39   HH12  ARG   4          2HH1      ARG   4  -3.128   0.363  -7.172
   40   HH21  ARG   4          1HH2      ARG   4  -0.615  -2.067  -7.245
   41   HH22  ARG   4          2HH2      ARG   4  -2.321  -1.781  -7.181
   42    H    ILE   5           H        ILE   5   4.665   5.760  -6.585
   43    HA   ILE   5           HA       ILE   5   4.672   7.980  -6.085
   44    HB   ILE   5           HB       ILE   5   1.851   7.750  -5.090
   45   HG12  ILE   5          2HG1      ILE   5   1.832   6.421  -7.095
   46   HG13  ILE   5          3HG1      ILE   5   1.130   7.988  -7.481
   47   HG21  ILE   5          1HG2      ILE   5   3.591   9.851  -6.265
   48   HG22  ILE   5          2HG2      ILE   5   1.861   9.924  -6.593
   49   HG23  ILE   5          3HG2      ILE   5   2.444   9.947  -4.929
   50   HD11  ILE   5          1HD1      ILE   5   3.246   8.685  -8.479
   51   HD12  ILE   5          2HD1      ILE   5   3.939   7.107  -8.101
   52   HD13  ILE   5          3HD1      ILE   5   2.604   7.233  -9.247
   53    H    VAL   6           H        VAL   6   4.971   5.782  -3.926
   54    HA   VAL   6           HA       VAL   6   4.767   7.604  -1.616
   55    HB   VAL   6           HB       VAL   6   4.600   4.588  -1.557
   56   HG11  VAL   6          1HG1      VAL   6   4.530   6.693   0.583
   57   HG12  VAL   6          2HG1      VAL   6   3.836   5.088   0.827
   58   HG13  VAL   6          3HG1      VAL   6   5.556   5.263   0.476
   59   HG21  VAL   6          1HG2      VAL   6   2.581   6.657  -1.915
   60   HG22  VAL   6          2HG2      VAL   6   2.473   4.915  -2.166
   61   HG23  VAL   6          3HG2      VAL   6   2.242   5.589  -0.552
   62    H    GLN   7           H        GLN   7   6.815   5.835  -3.631
   63    HA   GLN   7           HA       GLN   7   8.859   4.978  -1.966
   64    HB2  GLN   7          2HB       GLN   7  10.352   5.373  -3.970
   65    HB3  GLN   7          3HB       GLN   7   8.943   4.360  -4.254
   66    HG2  GLN   7          2HG       GLN   7   8.113   5.757  -5.770
   67    HG3  GLN   7          3HG       GLN   7   8.415   7.169  -4.759
   68   HE21  GLN   7          1HE2      GLN   7   9.265   5.570  -7.551
   69   HE22  GLN   7          2HE2      GLN   7  10.744   6.394  -7.895
   70    H    ARG   8           H        ARG   8   8.018   8.197  -2.992
   71    HA   ARG   8           HA       ARG   8  10.493   9.413  -2.234
   72    HB2  ARG   8          2HB       ARG   8   7.856  10.847  -2.460
   73    HB3  ARG   8          3HB       ARG   8   9.472  11.477  -2.752
   74    HG2  ARG   8          2HG       ARG   8   9.619   9.911  -4.710
   75    HG3  ARG   8          3HG       ARG   8   7.904   9.573  -4.467
   76    HD2  ARG   8          2HD       ARG   8   7.313  11.463  -5.484
   77    HD3  ARG   8          3HD       ARG   8   8.408  12.413  -4.481
   78    HE   ARG   8           HE       ARG   8  10.047  11.229  -6.299
   79   HH11  ARG   8          1HH1      ARG   8   7.182  13.195  -6.523
   80   HH12  ARG   8          2HH1      ARG   8   7.629  13.904  -8.039
   81   HH21  ARG   8          1HH2      ARG   8  10.647  12.156  -8.295
   82   HH22  ARG   8          2HH2      ARG   8   9.600  13.312  -9.046
   83    H    ILE   9           H        ILE   9   7.542   8.578  -0.609
   84    HA   ILE   9           HA       ILE   9   7.084   8.488   1.635
   85    HB   ILE   9           HB       ILE   9   9.847   8.733   1.655
   86   HG12  ILE   9          2HG1      ILE   9   8.594   7.111   2.944
   87   HG13  ILE   9          3HG1      ILE   9   9.622   8.034   4.036
   88   HG21  ILE   9          1HG2      ILE   9   9.458  11.184   2.078
   89   HG22  ILE   9          2HG2      ILE   9   8.750  10.724   3.625
   90   HG23  ILE   9          3HG2      ILE   9  10.439  10.352   3.284
   91   HD11  ILE   9          1HD1      ILE   9   7.327   7.598   4.883
   92   HD12  ILE   9          2HD1      ILE   9   7.765   9.305   4.816
   93   HD13  ILE   9          3HD1      ILE   9   6.708   8.617   3.584
   94    H    LYS  10           H        LYS  10   7.620  11.244  -0.187
   95    HA   LYS  10           HA       LYS  10   7.247  13.394   1.477
   96    HB2  LYS  10          2HB       LYS  10   6.315  14.572  -0.413
   97    HB3  LYS  10          3HB       LYS  10   7.609  13.522  -0.977
   98    HG2  LYS  10          2HG       LYS  10   5.428  11.910  -1.247
   99    HG3  LYS  10          3HG       LYS  10   4.756  13.502  -1.609
  100    HD2  LYS  10          2HD       LYS  10   7.352  12.935  -2.866
  101    HD3  LYS  10          3HD       LYS  10   6.020  11.914  -3.415
  102    HE2  LYS  10          2HE       LYS  10   5.867  14.919  -3.291
  103    HE3  LYS  10          3HE       LYS  10   6.385  14.035  -4.726
  104    HZ1  LYS  10          1HZ       LYS  10   3.905  13.091  -3.613
  105    HZ2  LYS  10          2HZ       LYS  10   4.297  13.469  -5.214
  106    HZ3  LYS  10          3HZ       LYS  10   3.834  14.695  -4.144
  107    H    ASP  11           H        ASP  11   4.884  11.037   0.412
  108    HA   ASP  11           HA       ASP  11   2.861  12.381   2.083
  109    HB2  ASP  11          2HB       ASP  11   2.529  10.708  -0.409
  110    HB3  ASP  11          3HB       ASP  11   1.187  11.119   0.656
  111    H    PHE  12           H        PHE  12   2.889   9.124   0.704
  112    HA   PHE  12           HA       PHE  12   2.889   7.055   1.662
  113    HB2  PHE  12          2HB       PHE  12   4.744   8.286   3.118
  114    HB3  PHE  12          3HB       PHE  12   3.527   8.108   4.377
  115    HD1  PHE  12           HD1      PHE  12   6.277   6.605   2.840
  116    HD2  PHE  12           HD2      PHE  12   2.486   5.683   4.541
  117    HE1  PHE  12           HE1      PHE  12   7.012   4.286   3.212
  118    HE2  PHE  12           HE2      PHE  12   3.215   3.363   4.917
  119    HZ   PHE  12           HZ       PHE  12   5.480   2.662   4.253
  120    H    LEU  13           H        LEU  13   1.887   9.142   4.372
  121    HA   LEU  13           HA       LEU  13  -0.565   7.554   4.599
  122    HB2  LEU  13          2HB       LEU  13   0.288   9.637   6.567
  123    HB3  LEU  13          3HB       LEU  13  -0.698   8.199   6.825
  124    HG   LEU  13           HG       LEU  13   2.264   8.133   6.262
  125   HD11  LEU  13          1HD1      LEU  13   0.875   7.841   8.920
  126   HD12  LEU  13          2HD1      LEU  13   1.715   9.297   8.387
  127   HD13  LEU  13          3HD1      LEU  13   2.611   7.795   8.608
  128   HD21  LEU  13          1HD2      LEU  13   2.154   5.847   6.875
  129   HD22  LEU  13          2HD2      LEU  13   0.855   6.117   5.714
  130   HD23  LEU  13          3HD2      LEU  13   0.490   6.004   7.436
  131    H    ARG  14           H        ARG  14   0.490  10.416   3.265
  132    HA   ARG  14           HA       ARG  14  -1.870  11.990   3.818
  133    HB2  ARG  14          2HB       ARG  14   0.319  12.509   1.800
  134    HB3  ARG  14          3HB       ARG  14  -0.859  13.670   2.396
  135    HG2  ARG  14          2HG       ARG  14   1.270  12.337   4.058
  136    HG3  ARG  14          3HG       ARG  14   1.344  13.978   3.413
  137    HD2  ARG  14          2HD       ARG  14   0.404  14.623   5.331
  138    HD3  ARG  14          3HD       ARG  14  -1.086  13.914   4.711
  139    HE   ARG  14           HE       ARG  14   0.142  11.808   5.862
  140   HH11  ARG  14          1HH1      ARG  14  -0.593  15.023   6.979
  141   HH12  ARG  14          2HH1      ARG  14  -0.758  14.550   8.637
  142   HH21  ARG  14          1HH2      ARG  14  -0.073  11.173   8.042
  143   HH22  ARG  14          2HH2      ARG  14  -0.461  12.360   9.241
  144    H    ASN  15           H        ASN  15  -1.231   9.429   1.830
  145    HA   ASN  15           HA       ASN  15  -2.863  10.348  -0.404
  146    HB2  ASN  15          2HB       ASN  15  -0.704   8.829  -0.487
  147    HB3  ASN  15          3HB       ASN  15  -1.862   7.539  -0.175
  148   HD21  ASN  15          1HD2      ASN  15  -3.283   6.934  -1.753
  149   HD22  ASN  15          2HD2      ASN  15  -3.200   7.518  -3.377
  150    H    LEU  16           H        LEU  16  -3.605   9.412   2.551
  151    HA   LEU  16           HA       LEU  16  -5.478   8.585   3.542
  152    HB2  LEU  16          2HB       LEU  16  -6.307   9.338   0.887
  153    HB3  LEU  16          3HB       LEU  16  -7.207   7.928   1.442
  154    HG   LEU  16           HG       LEU  16  -7.219   9.792   3.562
  155   HD11  LEU  16          1HD1      LEU  16  -7.691  11.022   0.866
  156   HD12  LEU  16          2HD1      LEU  16  -6.697  11.621   2.193
  157   HD13  LEU  16          3HD1      LEU  16  -8.455  11.645   2.328
  158   HD21  LEU  16          1HD2      LEU  16  -9.655   9.822   3.058
  159   HD22  LEU  16          2HD2      LEU  16  -8.969   8.201   3.170
  160   HD23  LEU  16          3HD2      LEU  16  -9.318   8.904   1.590
  161    H    VAL  17           H        VAL  17  -5.485   6.629   4.409
  162    HA   VAL  17           HA       VAL  17  -4.484   4.343   3.041
  163    HB   VAL  17           HB       VAL  17  -4.250   4.666   5.486
  164   HG11  VAL  17          1HG1      VAL  17  -6.010   4.591   6.977
  165   HG12  VAL  17          2HG1      VAL  17  -6.722   5.477   5.627
  166   HG13  VAL  17          3HG1      VAL  17  -7.075   3.762   5.841
  167   HG21  VAL  17          1HG2      VAL  17  -4.493   2.359   4.131
  168   HG22  VAL  17          2HG2      VAL  17  -4.134   2.437   5.856
  169   HG23  VAL  17          3HG2      VAL  17  -5.787   2.152   5.312
  Start of MODEL    9
    1    H1   GLU   1           H        GLU   1   2.532   0.669  -0.057
    2    HA   GLU   1           HA       GLU   1   3.576  -1.186  -2.085
    3    HB2  GLU   1          2HB       GLU   1   2.202   1.449  -2.644
    4    HB3  GLU   1          3HB       GLU   1   2.969   0.422  -3.848
    5    HG2  GLU   1          2HG       GLU   1   1.161  -1.222  -2.484
    6    HG3  GLU   1          3HG       GLU   1   0.317   0.299  -2.770
    7    H    PHE   2           H        PHE   2   3.620   2.348  -1.680
    8    HA   PHE   2           HA       PHE   2   5.326   3.835  -1.443
    9    HB2  PHE   2          2HB       PHE   2   5.936   2.205   0.440
   10    HB3  PHE   2          3HB       PHE   2   7.130   1.547  -0.674
   11    HD1  PHE   2           HD1      PHE   2   9.261   2.276  -0.293
   12    HD2  PHE   2           HD2      PHE   2   6.023   4.954   0.388
   13    HE1  PHE   2           HE1      PHE   2  10.854   4.026   0.381
   14    HE2  PHE   2           HE2      PHE   2   7.611   6.708   1.062
   15    HZ   PHE   2           HZ       PHE   2  10.030   6.245   1.058
   16    H    LYS   3           H        LYS   3   5.014   1.790  -3.805
   17    HA   LYS   3           HA       LYS   3   7.531   2.551  -5.136
   18    HB2  LYS   3          2HB       LYS   3   7.425   0.526  -6.441
   19    HB3  LYS   3          3HB       LYS   3   7.319   0.106  -4.736
   20    HG2  LYS   3          2HG       LYS   3   4.695   0.509  -5.852
   21    HG3  LYS   3          3HG       LYS   3   5.605  -0.684  -6.782
   22    HD2  LYS   3          2HD       LYS   3   6.190  -1.472  -4.264
   23    HD3  LYS   3          3HD       LYS   3   4.571  -0.811  -4.024
   24    HE2  LYS   3          2HE       LYS   3   3.622  -2.559  -5.029
   25    HE3  LYS   3          3HE       LYS   3   4.710  -2.438  -6.411
   26    HZ1  LYS   3          1HZ       LYS   3   5.243  -4.485  -5.556
   27    HZ2  LYS   3          2HZ       LYS   3   5.009  -4.015  -3.948
   28    HZ3  LYS   3          3HZ       LYS   3   6.393  -3.514  -4.782
   29    H    ARG   4           H        ARG   4   4.229   2.995  -5.041
   30    HA   ARG   4           HA       ARG   4   3.980   3.524  -7.908
   31    HB2  ARG   4          2HB       ARG   4   1.572   3.859  -7.399
   32    HB3  ARG   4          3HB       ARG   4   2.160   2.266  -6.942
   33    HG2  ARG   4          2HG       ARG   4   1.663   2.581  -4.795
   34    HG3  ARG   4          3HG       ARG   4   2.354   4.205  -4.784
   35    HD2  ARG   4          2HD       ARG   4   0.355   5.170  -5.048
   36    HD3  ARG   4          3HD       ARG   4  -0.120   4.032  -6.308
   37    HE   ARG   4           HE       ARG   4  -0.199   2.782  -3.773
   38   HH11  ARG   4          1HH1      ARG   4  -1.908   5.090  -5.742
   39   HH12  ARG   4          2HH1      ARG   4  -3.444   4.776  -5.005
   40   HH21  ARG   4          1HH2      ARG   4  -2.216   2.361  -2.795
   41   HH22  ARG   4          2HH2      ARG   4  -3.618   3.225  -3.328
   42    H    ILE   5           H        ILE   5   5.670   5.294  -7.237
   43    HA   ILE   5           HA       ILE   5   6.113   7.528  -7.235
   44    HB   ILE   5           HB       ILE   5   3.171   8.127  -7.237
   45   HG12  ILE   5          2HG1      ILE   5   3.381   6.436  -8.923
   46   HG13  ILE   5          3HG1      ILE   5   3.313   7.990  -9.747
   47   HG21  ILE   5          1HG2      ILE   5   5.678   9.525  -7.959
   48   HG22  ILE   5          2HG2      ILE   5   4.260   9.850  -8.955
   49   HG23  ILE   5          3HG2      ILE   5   4.203  10.148  -7.218
   50   HD11  ILE   5          1HD1      ILE   5   5.788   6.368  -9.207
   51   HD12  ILE   5          2HD1      ILE   5   4.975   6.567 -10.760
   52   HD13  ILE   5          3HD1      ILE   5   5.752   7.949  -9.988
   53    H    VAL   6           H        VAL   6   5.060   5.886  -4.791
   54    HA   VAL   6           HA       VAL   6   4.496   8.151  -3.008
   55    HB   VAL   6           HB       VAL   6   4.251   5.198  -2.419
   56   HG11  VAL   6          1HG1      VAL   6   4.002   7.628  -0.808
   57   HG12  VAL   6          2HG1      VAL   6   2.626   6.531  -0.675
   58   HG13  VAL   6          3HG1      VAL   6   4.253   5.955  -0.310
   59   HG21  VAL   6          1HG2      VAL   6   2.021   7.148  -2.963
   60   HG22  VAL   6          2HG2      VAL   6   2.695   6.075  -4.190
   61   HG23  VAL   6          3HG2      VAL   6   1.906   5.399  -2.765
   62    H    GLN   7           H        GLN   7   7.026   6.213  -4.024
   63    HA   GLN   7           HA       GLN   7   8.486   5.610  -1.763
   64    HB2  GLN   7          2HB       GLN   7  10.518   5.992  -3.274
   65    HB3  GLN   7          3HB       GLN   7   9.331   4.807  -3.802
   66    HG2  GLN   7          2HG       GLN   7   8.654   6.058  -5.568
   67    HG3  GLN   7          3HG       GLN   7   8.994   7.587  -4.759
   68   HE21  GLN   7          1HE2      GLN   7  10.428   8.659  -5.906
   69   HE22  GLN   7          2HE2      GLN   7  11.870   8.008  -6.601
   70    H    ARG   8           H        ARG   8   7.875   8.703  -3.207
   71    HA   ARG   8           HA       ARG   8   9.986  10.208  -2.195
   72    HB2  ARG   8          2HB       ARG   8   7.163  11.243  -2.368
   73    HB3  ARG   8          3HB       ARG   8   8.664  12.126  -2.609
   74    HG2  ARG   8          2HG       ARG   8   9.047  10.650  -4.630
   75    HG3  ARG   8          3HG       ARG   8   7.372  10.128  -4.438
   76    HD2  ARG   8          2HD       ARG   8   6.803  11.893  -5.673
   77    HD3  ARG   8          3HD       ARG   8   7.237  12.889  -4.284
   78    HE   ARG   8           HE       ARG   8   9.062  13.620  -5.442
   79   HH11  ARG   8          1HH1      ARG   8   7.918  10.673  -6.901
   80   HH12  ARG   8          2HH1      ARG   8   9.018  10.755  -8.237
   81   HH21  ARG   8          1HH2      ARG   8  10.515  13.738  -7.196
   82   HH22  ARG   8          2HH2      ARG   8  10.495  12.498  -8.404
   83    H    ILE   9           H        ILE   9   7.293   8.788  -0.578
   84    HA   ILE   9           HA       ILE   9   6.909   8.532   1.668
   85    HB   ILE   9           HB       ILE   9   9.550   9.376   1.668
   86   HG12  ILE   9          2HG1      ILE   9   8.703   7.490   2.927
   87   HG13  ILE   9          3HG1      ILE   9   9.520   8.590   4.033
   88   HG21  ILE   9          1HG2      ILE   9   8.638  11.672   2.161
   89   HG22  ILE   9          2HG2      ILE   9   8.080  11.031   3.705
   90   HG23  ILE   9          3HG2      ILE   9   9.803  11.049   3.329
   91   HD11  ILE   9          1HD1      ILE   9   6.543   8.531   3.625
   92   HD12  ILE   9          2HD1      ILE   9   7.391   7.642   4.892
   93   HD13  ILE   9          3HD1      ILE   9   7.443   9.405   4.864
   94    H    LYS  10           H        LYS  10   6.791  11.385  -0.076
   95    HA   LYS  10           HA       LYS  10   5.983  13.356   1.654
   96    HB2  LYS  10          2HB       LYS  10   4.807  14.360  -0.185
   97    HB3  LYS  10          3HB       LYS  10   6.257  13.592  -0.816
   98    HG2  LYS  10          2HG       LYS  10   4.438  11.592  -1.079
   99    HG3  LYS  10          3HG       LYS  10   3.436  13.021  -1.346
  100    HD2  LYS  10          2HD       LYS  10   6.009  13.117  -2.729
  101    HD3  LYS  10          3HD       LYS  10   4.980  11.777  -3.241
  102    HE2  LYS  10          2HE       LYS  10   3.131  13.625  -3.325
  103    HE3  LYS  10          3HE       LYS  10   4.508  14.720  -3.431
  104    HZ1  LYS  10          1HZ       LYS  10   5.213  13.736  -5.424
  105    HZ2  LYS  10          2HZ       LYS  10   3.540  13.918  -5.599
  106    HZ3  LYS  10          3HZ       LYS  10   4.193  12.399  -5.241
  107    H    ASP  11           H        ASP  11   4.192  10.549   0.575
  108    HA   ASP  11           HA       ASP  11   1.968  11.357   2.334
  109    HB2  ASP  11          2HB       ASP  11   1.932   9.849  -0.276
  110    HB3  ASP  11          3HB       ASP  11   0.579   9.802   0.851
  111    H    PHE  12           H        PHE  12   2.780   8.284   0.754
  112    HA   PHE  12           HA       PHE  12   3.277   6.223   1.593
  113    HB2  PHE  12          2HB       PHE  12   4.739   7.744   3.179
  114    HB3  PHE  12          3HB       PHE  12   3.544   7.269   4.381
  115    HD1  PHE  12           HD1      PHE  12   3.052   4.676   4.459
  116    HD2  PHE  12           HD2      PHE  12   6.608   6.440   2.924
  117    HE1  PHE  12           HE1      PHE  12   4.254   2.559   4.818
  118    HE2  PHE  12           HE2      PHE  12   7.815   4.326   3.279
  119    HZ   PHE  12           HZ       PHE  12   6.638   2.381   4.227
  120    H    LEU  13           H        LEU  13   1.683   7.815   4.355
  121    HA   LEU  13           HA       LEU  13  -0.342   5.686   4.302
  122    HB2  LEU  13          2HB       LEU  13   0.099   7.601   6.566
  123    HB3  LEU  13          3HB       LEU  13  -0.677   6.019   6.597
  124    HG   LEU  13           HG       LEU  13   2.264   6.356   6.062
  125   HD11  LEU  13          1HD1      LEU  13   2.744   6.093   8.349
  126   HD12  LEU  13          2HD1      LEU  13   1.065   5.724   8.743
  127   HD13  LEU  13          3HD1      LEU  13   1.520   7.360   8.270
  128   HD21  LEU  13          1HD2      LEU  13   0.765   4.012   7.204
  129   HD22  LEU  13          2HD2      LEU  13   2.410   4.053   6.568
  130   HD23  LEU  13          3HD2      LEU  13   1.036   4.225   5.474
  131    H    ARG  14           H        ARG  14   0.121   8.905   3.499
  132    HA   ARG  14           HA       ARG  14  -2.588   9.769   4.081
  133    HB2  ARG  14          2HB       ARG  14  -0.247  11.121   2.739
  134    HB3  ARG  14          3HB       ARG  14  -1.831  11.869   2.889
  135    HG2  ARG  14          2HG       ARG  14  -1.655  11.656   5.346
  136    HG3  ARG  14          3HG       ARG  14  -0.021  11.022   5.139
  137    HD2  ARG  14          2HD       ARG  14   0.843  13.053   4.734
  138    HD3  ARG  14          3HD       ARG  14  -0.520  13.535   3.725
  139    HE   ARG  14           HE       ARG  14  -1.469  14.545   5.548
  140   HH11  ARG  14          1HH1      ARG  14   1.071  12.415   6.612
  141   HH12  ARG  14          2HH1      ARG  14   1.017  12.960   8.256
  142   HH21  ARG  14          1HH2      ARG  14  -1.550  15.270   7.709
  143   HH22  ARG  14          2HH2      ARG  14  -0.475  14.583   8.879
  144    H    ASN  15           H        ASN  15  -1.471   7.714   1.914
  145    HA   ASN  15           HA       ASN  15  -2.561   8.779  -0.523
  146    HB2  ASN  15          2HB       ASN  15  -0.668   6.985  -0.159
  147    HB3  ASN  15          3HB       ASN  15  -2.022   5.860  -0.136
  148   HD21  ASN  15          1HD2      ASN  15   0.257   7.080  -2.058
  149   HD22  ASN  15          2HD2      ASN  15  -0.536   6.988  -3.590
  150    H    LEU  16           H        LEU  16  -3.960   7.584   2.219
  151    HA   LEU  16           HA       LEU  16  -6.323   6.631   0.738
  152    HB2  LEU  16          2HB       LEU  16  -6.834   5.475   2.995
  153    HB3  LEU  16          3HB       LEU  16  -5.667   4.751   1.891
  154    HG   LEU  16           HG       LEU  16  -4.526   6.560   3.914
  155   HD11  LEU  16          1HD1      LEU  16  -4.872   5.266   5.791
  156   HD12  LEU  16          2HD1      LEU  16  -5.340   3.846   4.857
  157   HD13  LEU  16          3HD1      LEU  16  -6.453   5.205   5.011
  158   HD21  LEU  16          1HD2      LEU  16  -2.872   4.750   4.041
  159   HD22  LEU  16          2HD2      LEU  16  -3.134   5.291   2.382
  160   HD23  LEU  16          3HD2      LEU  16  -3.858   3.783   2.943
  161    H    VAL  17           H        VAL  17  -5.097   8.597   3.362
  162    HA   VAL  17           HA       VAL  17  -7.593   9.377   4.445
  163    HB   VAL  17           HB       VAL  17  -5.002  10.929   4.497
  164   HG11  VAL  17          1HG1      VAL  17  -7.581  11.132   5.997
  165   HG12  VAL  17          2HG1      VAL  17  -6.070  11.644   6.752
  166   HG13  VAL  17          3HG1      VAL  17  -6.613  12.406   5.256
  167   HG21  VAL  17          1HG2      VAL  17  -4.197   9.213   5.673
  168   HG22  VAL  17          2HG2      VAL  17  -5.327   9.679   6.944
  169   HG23  VAL  17          3HG2      VAL  17  -5.779   8.441   5.773
  Start of MODEL   10
    1    H1   GLU   1           H        GLU   1   2.644   0.425   0.357
    2    HA   GLU   1           HA       GLU   1   3.379  -1.184  -1.939
    3    HB2  GLU   1          2HB       GLU   1   2.038   1.506  -2.270
    4    HB3  GLU   1          3HB       GLU   1   2.826   0.608  -3.559
    5    HG2  GLU   1          2HG       GLU   1   0.652  -0.698  -2.001
    6    HG3  GLU   1          3HG       GLU   1   0.239   0.493  -3.233
    7    H    PHE   2           H        PHE   2   3.517   2.310  -1.290
    8    HA   PHE   2           HA       PHE   2   5.262   3.732  -0.952
    9    HB2  PHE   2          2HB       PHE   2   5.831   2.049   0.850
   10    HB3  PHE   2          3HB       PHE   2   6.932   1.301  -0.302
   11    HD1  PHE   2           HD1      PHE   2   9.051   1.699   0.540
   12    HD2  PHE   2           HD2      PHE   2   6.254   4.900   0.335
   13    HE1  PHE   2           HE1      PHE   2  10.817   3.279   1.202
   14    HE2  PHE   2           HE2      PHE   2   8.014   6.486   0.997
   15    HZ   PHE   2           HZ       PHE   2  10.300   5.676   1.431
   16    H    LYS   3           H        LYS   3   4.924   1.809  -3.432
   17    HA   LYS   3           HA       LYS   3   7.433   2.658  -4.725
   18    HB2  LYS   3          2HB       LYS   3   7.231   0.675  -6.189
   19    HB3  LYS   3          3HB       LYS   3   7.432   0.244  -4.496
   20    HG2  LYS   3          2HG       LYS   3   5.738  -1.162  -4.934
   21    HG3  LYS   3          3HG       LYS   3   4.747   0.271  -4.652
   22    HD2  LYS   3          2HD       LYS   3   4.727   0.732  -7.054
   23    HD3  LYS   3          3HD       LYS   3   5.731  -0.692  -7.339
   24    HE2  LYS   3          2HE       LYS   3   3.168  -1.011  -5.852
   25    HE3  LYS   3          3HE       LYS   3   3.112  -0.790  -7.600
   26    HZ1  LYS   3          1HZ       LYS   3   3.246  -3.157  -6.678
   27    HZ2  LYS   3          2HZ       LYS   3   4.878  -2.821  -6.390
   28    HZ3  LYS   3          3HZ       LYS   3   4.266  -2.751  -7.965
   29    H    ARG   4           H        ARG   4   4.140   3.059  -4.601
   30    HA   ARG   4           HA       ARG   4   3.938   3.769  -7.446
   31    HB2  ARG   4          2HB       ARG   4   2.072   2.663  -5.495
   32    HB3  ARG   4          3HB       ARG   4   1.408   4.045  -6.356
   33    HG2  ARG   4          2HG       ARG   4   2.360   2.739  -8.449
   34    HG3  ARG   4          3HG       ARG   4   2.161   1.362  -7.364
   35    HD2  ARG   4          2HD       ARG   4   0.162   1.645  -8.688
   36    HD3  ARG   4          3HD       ARG   4  -0.187   2.026  -7.002
   37    HE   ARG   4           HE       ARG   4   0.492   4.399  -8.317
   38   HH11  ARG   4          1HH1      ARG   4  -2.033   2.002  -8.310
   39   HH12  ARG   4          2HH1      ARG   4  -3.265   3.110  -8.819
   40   HH21  ARG   4          1HH2      ARG   4  -1.120   5.866  -8.987
   41   HH22  ARG   4          2HH2      ARG   4  -2.744   5.307  -9.205
   42    H    ILE   5           H        ILE   5   5.123   5.734  -7.164
   43    HA   ILE   5           HA       ILE   5   5.325   7.983  -6.877
   44    HB   ILE   5           HB       ILE   5   2.375   8.161  -6.362
   45   HG12  ILE   5          2HG1      ILE   5   2.518   6.622  -8.205
   46   HG13  ILE   5          3HG1      ILE   5   2.078   8.198  -8.852
   47   HG21  ILE   5          1HG2      ILE   5   4.518   9.922  -7.434
   48   HG22  ILE   5          2HG2      ILE   5   2.873  10.142  -8.028
   49   HG23  ILE   5          3HG2      ILE   5   3.214  10.288  -6.304
   50   HD11  ILE   5          1HD1      ILE   5   4.825   6.973  -8.896
   51   HD12  ILE   5          2HD1      ILE   5   3.715   7.105 -10.261
   52   HD13  ILE   5          3HD1      ILE   5   4.395   8.560  -9.533
   53    H    VAL   6           H        VAL   6   5.071   6.046  -4.502
   54    HA   VAL   6           HA       VAL   6   4.642   8.110  -2.440
   55    HB   VAL   6           HB       VAL   6   4.390   5.142  -1.980
   56   HG11  VAL   6          1HG1      VAL   6   4.100   7.579  -0.352
   57   HG12  VAL   6          2HG1      VAL   6   2.852   6.353  -0.124
   58   HG13  VAL   6          3HG1      VAL   6   4.549   5.941   0.122
   59   HG21  VAL   6          1HG2      VAL   6   1.843   6.168  -1.843
   60   HG22  VAL   6          2HG2      VAL   6   2.523   6.985  -3.250
   61   HG23  VAL   6          3HG2      VAL   6   2.503   5.223  -3.178
   62    H    GLN   7           H        GLN   7   6.993   6.551  -4.039
   63    HA   GLN   7           HA       GLN   7   8.689   5.549  -2.028
   64    HB2  GLN   7          2HB       GLN   7   9.691   6.806  -4.569
   65    HB3  GLN   7          3HB       GLN   7  10.368   5.452  -3.675
   66    HG2  GLN   7          2HG       GLN   7   7.855   4.562  -4.345
   67    HG3  GLN   7          3HG       GLN   7   8.348   5.491  -5.760
   68   HE21  GLN   7          1HE2      GLN   7   9.836   3.223  -3.465
   69   HE22  GLN   7          2HE2      GLN   7  10.616   2.257  -4.666
   70    H    ARG   8           H        ARG   8   7.939   8.762  -3.029
   71    HA   ARG   8           HA       ARG   8  10.277  10.080  -2.158
   72    HB2  ARG   8          2HB       ARG   8   7.530  11.306  -2.079
   73    HB3  ARG   8          3HB       ARG   8   9.070  12.091  -2.400
   74    HG2  ARG   8          2HG       ARG   8   9.196  10.731  -4.514
   75    HG3  ARG   8          3HG       ARG   8   7.523  10.259  -4.208
   76    HD2  ARG   8          2HD       ARG   8   6.911  12.664  -4.159
   77    HD3  ARG   8          3HD       ARG   8   8.571  13.058  -4.606
   78    HE   ARG   8           HE       ARG   8   7.477  11.232  -6.460
   79   HH11  ARG   8          1HH1      ARG   8   7.281  14.568  -5.485
   80   HH12  ARG   8          2HH1      ARG   8   6.803  15.133  -7.051
   81   HH21  ARG   8          1HH2      ARG   8   6.847  11.964  -8.527
   82   HH22  ARG   8          2HH2      ARG   8   6.555  13.651  -8.780
   83    H    ILE   9           H        ILE   9   7.604   8.720  -0.462
   84    HA   ILE   9           HA       ILE   9   7.336   8.351   1.785
   85    HB   ILE   9           HB       ILE   9  10.019   9.040   1.671
   86   HG12  ILE   9          2HG1      ILE   9   9.111   7.136   2.872
   87   HG13  ILE   9          3HG1      ILE   9  10.089   8.104   3.970
   88   HG21  ILE   9          1HG2      ILE   9   9.280  11.352   2.347
   89   HG22  ILE   9          2HG2      ILE   9   8.775  10.653   3.884
   90   HG23  ILE   9          3HG2      ILE   9  10.471  10.594   3.403
   91   HD11  ILE   9          1HD1      ILE   9   7.105   8.366   3.799
   92   HD12  ILE   9          2HD1      ILE   9   7.913   7.232   4.882
   93   HD13  ILE   9          3HD1      ILE   9   8.186   8.965   5.056
   94    H    LYS  10           H        LYS  10   7.295  11.311   0.221
   95    HA   LYS  10           HA       LYS  10   6.696  13.200   2.129
   96    HB2  LYS  10          2HB       LYS  10   5.325  14.310   0.381
   97    HB3  LYS  10          3HB       LYS  10   6.902  13.796  -0.202
   98    HG2  LYS  10          2HG       LYS  10   5.635  13.070  -1.931
   99    HG3  LYS  10          3HG       LYS  10   5.520  11.642  -0.899
  100    HD2  LYS  10          2HD       LYS  10   3.304  11.896  -1.204
  101    HD3  LYS  10          3HD       LYS  10   3.461  13.128   0.051
  102    HE2  LYS  10          2HE       LYS  10   3.525  14.874  -1.538
  103    HE3  LYS  10          3HE       LYS  10   3.785  13.752  -2.873
  104    HZ1  LYS  10          1HZ       LYS  10   1.534  12.849  -2.393
  105    HZ2  LYS  10          2HZ       LYS  10   1.532  14.451  -2.934
  106    HZ3  LYS  10          3HZ       LYS  10   1.301  14.113  -1.292
  107    H    ASP  11           H        ASP  11   4.712  10.576   0.955
  108    HA   ASP  11           HA       ASP  11   2.551  11.444   2.762
  109    HB2  ASP  11          2HB       ASP  11   2.517  10.121   0.089
  110    HB3  ASP  11          3HB       ASP  11   1.250   9.698   1.237
  111    H    PHE  12           H        PHE  12   3.230   8.317   1.234
  112    HA   PHE  12           HA       PHE  12   3.672   6.255   2.105
  113    HB2  PHE  12          2HB       PHE  12   5.201   7.783   3.648
  114    HB3  PHE  12          3HB       PHE  12   4.029   7.308   4.874
  115    HD1  PHE  12           HD1      PHE  12   6.881   6.309   2.931
  116    HD2  PHE  12           HD2      PHE  12   3.689   4.873   5.352
  117    HE1  PHE  12           HE1      PHE  12   8.078   4.182   3.241
  118    HE2  PHE  12           HE2      PHE  12   4.880   2.744   5.667
  119    HZ   PHE  12           HZ       PHE  12   7.078   2.396   4.612
  120    H    LEU  13           H        LEU  13   2.197   7.960   4.867
  121    HA   LEU  13           HA       LEU  13   0.105   5.899   4.914
  122    HB2  LEU  13          2HB       LEU  13   0.655   7.883   7.096
  123    HB3  LEU  13          3HB       LEU  13  -0.191   6.341   7.202
  124    HG   LEU  13           HG       LEU  13   2.747   6.500   6.590
  125   HD11  LEU  13          1HD1      LEU  13   2.170   7.681   8.738
  126   HD12  LEU  13          2HD1      LEU  13   3.265   6.308   8.892
  127   HD13  LEU  13          3HD1      LEU  13   1.567   6.133   9.333
  128   HD21  LEU  13          1HD2      LEU  13   2.788   4.229   7.210
  129   HD22  LEU  13          2HD2      LEU  13   1.369   4.409   6.178
  130   HD23  LEU  13          3HD2      LEU  13   1.180   4.312   7.929
  131    H    ARG  14           H        ARG  14   0.649   9.091   4.020
  132    HA   ARG  14           HA       ARG  14  -1.941  10.150   4.669
  133    HB2  ARG  14          2HB       ARG  14   0.528  11.192   3.784
  134    HB3  ARG  14          3HB       ARG  14  -0.649  11.582   2.537
  135    HG2  ARG  14          2HG       ARG  14  -1.888  12.159   4.988
  136    HG3  ARG  14          3HG       ARG  14  -0.246  12.797   5.094
  137    HD2  ARG  14          2HD       ARG  14  -2.215  13.349   2.875
  138    HD3  ARG  14          3HD       ARG  14  -1.813  14.452   4.191
  139    HE   ARG  14           HE       ARG  14   0.586  13.895   3.026
  140   HH11  ARG  14          1HH1      ARG  14  -2.467  15.115   1.884
  141   HH12  ARG  14          2HH1      ARG  14  -1.762  16.067   0.619
  142   HH21  ARG  14          1HH2      ARG  14   1.527  15.143   1.365
  143   HH22  ARG  14          2HH2      ARG  14   0.510  16.081   0.325
  144    H    ASN  15           H        ASN  15  -0.929   7.927   2.441
  145    HA   ASN  15           HA       ASN  15  -2.688   8.762   0.285
  146    HB2  ASN  15          2HB       ASN  15  -0.382   7.562   0.067
  147    HB3  ASN  15          3HB       ASN  15  -1.306   6.100   0.399
  148   HD21  ASN  15          1HD2      ASN  15  -0.647   8.622  -1.865
  149   HD22  ASN  15          2HD2      ASN  15  -1.512   7.941  -3.197
  150    H    LEU  16           H        LEU  16  -3.314   7.549   3.170
  151    HA   LEU  16           HA       LEU  16  -5.344   5.639   2.218
  152    HB2  LEU  16          2HB       LEU  16  -4.540   5.885   5.083
  153    HB3  LEU  16          3HB       LEU  16  -5.216   4.500   4.228
  154    HG   LEU  16           HG       LEU  16  -2.400   5.529   3.886
  155   HD11  LEU  16          1HD1      LEU  16  -2.485   4.657   6.063
  156   HD12  LEU  16          2HD1      LEU  16  -1.863   3.342   5.067
  157   HD13  LEU  16          3HD1      LEU  16  -3.549   3.334   5.584
  158   HD21  LEU  16          1HD2      LEU  16  -2.816   4.418   1.923
  159   HD22  LEU  16          2HD2      LEU  16  -3.987   3.325   2.660
  160   HD23  LEU  16          3HD2      LEU  16  -2.262   3.087   2.939
  161    H    VAL  17           H        VAL  17  -4.768   8.492   4.178
  162    HA   VAL  17           HA       VAL  17  -7.308   8.739   5.343
  163    HB   VAL  17           HB       VAL  17  -5.395  10.941   4.557
  164   HG11  VAL  17          1HG1      VAL  17  -6.884  11.606   6.855
  165   HG12  VAL  17          2HG1      VAL  17  -6.948  12.362   5.262
  166   HG13  VAL  17          3HG1      VAL  17  -8.034  11.028   5.651
  167   HG21  VAL  17          1HG2      VAL  17  -5.577   9.128   6.922
  168   HG22  VAL  17          2HG2      VAL  17  -4.157   9.654   6.017
  169   HG23  VAL  17          3HG2      VAL  17  -4.960  10.767   7.125
  Start of MODEL   11
    1    H1   GLU   1           H        GLU   1   3.384   0.691   0.227
    2    HA   GLU   1           HA       GLU   1   4.117  -1.143  -1.960
    3    HB2  GLU   1          2HB       GLU   1   2.877   1.608  -2.131
    4    HB3  GLU   1          3HB       GLU   1   3.454   0.688  -3.514
    5    HG2  GLU   1          2HG       GLU   1   1.778  -1.090  -2.278
    6    HG3  GLU   1          3HG       GLU   1   0.972   0.455  -2.009
    7    H    PHE   2           H        PHE   2   4.553   2.347  -1.450
    8    HA   PHE   2           HA       PHE   2   6.409   3.663  -1.400
    9    HB2  PHE   2          2HB       PHE   2   7.115   1.904   0.326
   10    HB3  PHE   2          3HB       PHE   2   8.075   1.189  -0.966
   11    HD1  PHE   2           HD1      PHE   2  10.293   1.735  -0.949
   12    HD2  PHE   2           HD2      PHE   2   7.464   4.602   0.427
   13    HE1  PHE   2           HE1      PHE   2  12.126   3.301  -0.454
   14    HE2  PHE   2           HE2      PHE   2   9.291   6.172   0.923
   15    HZ   PHE   2           HZ       PHE   2  11.626   5.523   0.482
   16    H    LYS   3           H        LYS   3   5.596   1.730  -3.751
   17    HA   LYS   3           HA       LYS   3   7.949   2.366  -5.409
   18    HB2  LYS   3          2HB       LYS   3   7.521   0.388  -6.731
   19    HB3  LYS   3          3HB       LYS   3   7.663  -0.069  -5.039
   20    HG2  LYS   3          2HG       LYS   3   4.923   0.495  -5.682
   21    HG3  LYS   3          3HG       LYS   3   5.591  -0.688  -6.810
   22    HD2  LYS   3          2HD       LYS   3   6.309  -1.148  -4.005
   23    HD3  LYS   3          3HD       LYS   3   4.581  -1.272  -4.345
   24    HE2  LYS   3          2HE       LYS   3   6.570  -2.648  -6.106
   25    HE3  LYS   3          3HE       LYS   3   6.094  -3.374  -4.572
   26    HZ1  LYS   3          1HZ       LYS   3   4.410  -2.794  -6.929
   27    HZ2  LYS   3          2HZ       LYS   3   3.727  -3.036  -5.401
   28    HZ3  LYS   3          3HZ       LYS   3   4.632  -4.267  -6.127
   29    H    ARG   4           H        ARG   4   4.644   2.832  -4.887
   30    HA   ARG   4           HA       ARG   4   4.321   3.925  -7.605
   31    HB2  ARG   4          2HB       ARG   4   2.535   2.260  -5.945
   32    HB3  ARG   4          3HB       ARG   4   1.761   3.612  -6.761
   33    HG2  ARG   4          2HG       ARG   4   3.001   2.710  -8.860
   34    HG3  ARG   4          3HG       ARG   4   3.104   1.217  -7.924
   35    HD2  ARG   4          2HD       ARG   4   0.986   0.728  -8.383
   36    HD3  ARG   4          3HD       ARG   4   0.452   2.285  -7.754
   37    HE   ARG   4           HE       ARG   4   0.303   3.073  -9.904
   38   HH11  ARG   4          1HH1      ARG   4   2.063   0.069  -9.885
   39   HH12  ARG   4          2HH1      ARG   4   2.073  -0.087 -11.611
   40   HH21  ARG   4          1HH2      ARG   4   0.309   2.879 -12.177
   41   HH22  ARG   4          2HH2      ARG   4   1.075   1.513 -12.913
   42    H    ILE   5           H        ILE   5   5.010   5.993  -7.079
   43    HA   ILE   5           HA       ILE   5   4.844   8.140  -6.341
   44    HB   ILE   5           HB       ILE   5   1.983   7.631  -5.596
   45   HG12  ILE   5          2HG1      ILE   5   1.886   8.424  -8.228
   46   HG13  ILE   5          3HG1      ILE   5   3.239   7.298  -8.227
   47   HG21  ILE   5          1HG2      ILE   5   3.650   9.950  -6.415
   48   HG22  ILE   5          2HG2      ILE   5   1.944   9.950  -6.860
   49   HG23  ILE   5          3HG2      ILE   5   2.412   9.831  -5.164
   50   HD11  ILE   5          1HD1      ILE   5   0.431   6.764  -8.167
   51   HD12  ILE   5          2HD1      ILE   5   1.781   5.645  -8.362
   52   HD13  ILE   5          3HD1      ILE   5   1.209   6.064  -6.747
   53    H    VAL   6           H        VAL   6   5.166   5.762  -4.399
   54    HA   VAL   6           HA       VAL   6   4.648   7.302  -1.938
   55    HB   VAL   6           HB       VAL   6   4.742   4.294  -2.212
   56   HG11  VAL   6          1HG1      VAL   6   4.334   6.121   0.140
   57   HG12  VAL   6          2HG1      VAL   6   3.822   4.432   0.151
   58   HG13  VAL   6          3HG1      VAL   6   5.526   4.837  -0.057
   59   HG21  VAL   6          1HG2      VAL   6   2.566   6.242  -2.418
   60   HG22  VAL   6          2HG2      VAL   6   2.646   4.568  -2.966
   61   HG23  VAL   6          3HG2      VAL   6   2.256   4.928  -1.284
   62    H    GLN   7           H        GLN   7   6.976   5.897  -3.952
   63    HA   GLN   7           HA       GLN   7   8.969   5.066  -2.211
   64    HB2  GLN   7          2HB       GLN   7  10.555   5.694  -4.054
   65    HB3  GLN   7          3HB       GLN   7   9.218   4.665  -4.552
   66    HG2  GLN   7          2HG       GLN   7   8.144   6.395  -5.679
   67    HG3  GLN   7          3HG       GLN   7   9.070   7.639  -4.841
   68   HE21  GLN   7          1HE2      GLN   7   9.465   8.474  -6.983
   69   HE22  GLN   7          2HE2      GLN   7  10.739   7.805  -7.938
   70    H    ARG   8           H        ARG   8   7.928   8.281  -3.049
   71    HA   ARG   8           HA       ARG   8  10.226   9.651  -2.075
   72    HB2  ARG   8          2HB       ARG   8   7.463  10.833  -2.209
   73    HB3  ARG   8          3HB       ARG   8   9.011  11.641  -2.417
   74    HG2  ARG   8          2HG       ARG   8   9.302  10.233  -4.505
   75    HG3  ARG   8          3HG       ARG   8   7.597   9.811  -4.329
   76    HD2  ARG   8          2HD       ARG   8   7.896  12.638  -4.058
   77    HD3  ARG   8          3HD       ARG   8   8.718  12.111  -5.526
   78    HE   ARG   8           HE       ARG   8   6.202  10.893  -5.441
   79   HH11  ARG   8          1HH1      ARG   8   7.603  14.062  -5.784
   80   HH12  ARG   8          2HH1      ARG   8   6.293  14.681  -6.735
   81   HH21  ARG   8          1HH2      ARG   8   4.473  11.696  -6.693
   82   HH22  ARG   8          2HH2      ARG   8   4.513  13.334  -7.251
   83    H    ILE   9           H        ILE   9   7.384   8.328  -0.602
   84    HA   ILE   9           HA       ILE   9   6.921   7.963   1.613
   85    HB   ILE   9           HB       ILE   9   9.631   8.544   1.715
   86   HG12  ILE   9          2HG1      ILE   9   8.569   6.666   2.821
   87   HG13  ILE   9          3HG1      ILE   9   9.476   7.594   4.010
   88   HG21  ILE   9          1HG2      ILE   9   8.935  10.877   2.356
   89   HG22  ILE   9          2HG2      ILE   9   8.278  10.188   3.840
   90   HG23  ILE   9          3HG2      ILE   9  10.003  10.062   3.499
   91   HD11  ILE   9          1HD1      ILE   9   7.496   8.532   4.908
   92   HD12  ILE   9          2HD1      ILE   9   6.522   7.910   3.576
   93   HD13  ILE   9          3HD1      ILE   9   7.225   6.797   4.749
   94    H    LYS  10           H        LYS  10   7.127  10.930   0.075
   95    HA   LYS  10           HA       LYS  10   6.458  12.834   1.944
   96    HB2  LYS  10          2HB       LYS  10   5.274  14.008   0.104
   97    HB3  LYS  10          3HB       LYS  10   6.869  13.430  -0.360
   98    HG2  LYS  10          2HG       LYS  10   5.709  12.764  -2.186
   99    HG3  LYS  10          3HG       LYS  10   5.455  11.339  -1.176
  100    HD2  LYS  10          2HD       LYS  10   3.260  11.654  -1.323
  101    HD3  LYS  10          3HD       LYS  10   3.443  13.208  -0.506
  102    HE2  LYS  10          2HE       LYS  10   4.140  13.189  -3.366
  103    HE3  LYS  10          3HE       LYS  10   2.439  12.901  -3.001
  104    HZ1  LYS  10          1HZ       LYS  10   2.708  14.953  -1.490
  105    HZ2  LYS  10          2HZ       LYS  10   2.550  15.184  -3.158
  106    HZ3  LYS  10          3HZ       LYS  10   4.075  15.283  -2.432
  107    H    ASP  11           H        ASP  11   4.461  10.304   0.595
  108    HA   ASP  11           HA       ASP  11   2.200  11.260   2.224
  109    HB2  ASP  11          2HB       ASP  11   2.341   9.927  -0.437
  110    HB3  ASP  11          3HB       ASP  11   0.977   9.531   0.605
  111    H    PHE  12           H        PHE  12   2.812   8.088   0.779
  112    HA   PHE  12           HA       PHE  12   3.086   6.016   1.693
  113    HB2  PHE  12          2HB       PHE  12   4.570   7.552   3.345
  114    HB3  PHE  12          3HB       PHE  12   3.358   6.974   4.484
  115    HD1  PHE  12           HD1      PHE  12   6.146   6.036   2.321
  116    HD2  PHE  12           HD2      PHE  12   3.218   4.634   5.074
  117    HE1  PHE  12           HE1      PHE  12   7.376   3.917   2.544
  118    HE2  PHE  12           HE2      PHE  12   4.444   2.513   5.302
  119    HZ   PHE  12           HZ       PHE  12   6.526   2.153   4.037
  120    H    LEU  13           H        LEU  13   1.590   7.842   4.365
  121    HA   LEU  13           HA       LEU  13  -0.735   6.043   4.157
  122    HB2  LEU  13          2HB       LEU  13   0.081   7.431   6.684
  123    HB3  LEU  13          3HB       LEU  13  -0.974   6.034   6.483
  124    HG   LEU  13           HG       LEU  13   1.987   5.949   5.941
  125   HD11  LEU  13          1HD1      LEU  13   1.410   6.583   8.313
  126   HD12  LEU  13          2HD1      LEU  13   2.351   5.105   8.117
  127   HD13  LEU  13          3HD1      LEU  13   0.622   5.011   8.451
  128   HD21  LEU  13          1HD2      LEU  13   0.025   3.739   6.533
  129   HD22  LEU  13          2HD2      LEU  13   1.710   3.574   6.036
  130   HD23  LEU  13          3HD2      LEU  13   0.517   4.220   4.908
  131    H    ARG  14           H        ARG  14   0.338   9.191   3.837
  132    HA   ARG  14           HA       ARG  14  -2.040  10.529   4.758
  133    HB2  ARG  14          2HB       ARG  14   0.473  11.371   3.366
  134    HB3  ARG  14          3HB       ARG  14  -0.912  12.454   3.375
  135    HG2  ARG  14          2HG       ARG  14  -0.355  11.404   6.013
  136    HG3  ARG  14          3HG       ARG  14   1.038  12.240   5.323
  137    HD2  ARG  14          2HD       ARG  14  -1.626  13.533   5.081
  138    HD3  ARG  14          3HD       ARG  14  -0.856  13.522   6.667
  139    HE   ARG  14           HE       ARG  14   1.105  14.413   5.029
  140   HH11  ARG  14          1HH1      ARG  14  -2.195  15.381   5.569
  141   HH12  ARG  14          2HH1      ARG  14  -1.907  17.046   5.187
  142   HH21  ARG  14          1HH2      ARG  14   1.497  16.603   4.522
  143   HH22  ARG  14          2HH2      ARG  14   0.194  17.739   4.590
  144    H    ASN  15           H        ASN  15  -1.378   8.654   2.116
  145    HA   ASN  15           HA       ASN  15  -2.781  10.161   0.112
  146    HB2  ASN  15          2HB       ASN  15  -0.963   8.207  -0.080
  147    HB3  ASN  15          3HB       ASN  15  -2.420   7.222  -0.179
  148   HD21  ASN  15          1HD2      ASN  15  -3.593   7.214  -2.014
  149   HD22  ASN  15          2HD2      ASN  15  -3.185   8.114  -3.432
  150    H    LEU  16           H        LEU  16  -3.787   8.513   2.796
  151    HA   LEU  16           HA       LEU  16  -6.346   7.734   1.570
  152    HB2  LEU  16          2HB       LEU  16  -6.668   6.196   3.321
  153    HB3  LEU  16          3HB       LEU  16  -4.995   6.003   2.801
  154    HG   LEU  16           HG       LEU  16  -4.679   7.755   4.837
  155   HD11  LEU  16          1HD1      LEU  16  -6.841   5.906   5.804
  156   HD12  LEU  16          2HD1      LEU  16  -7.163   7.559   5.281
  157   HD13  LEU  16          3HD1      LEU  16  -6.096   7.260   6.653
  158   HD21  LEU  16          1HD2      LEU  16  -3.412   5.715   4.520
  159   HD22  LEU  16          2HD2      LEU  16  -4.802   4.745   5.007
  160   HD23  LEU  16          3HD2      LEU  16  -4.009   5.801   6.177
  161    H    VAL  17           H        VAL  17  -4.842   9.659   4.075
  162    HA   VAL  17           HA       VAL  17  -7.476  10.695   4.873
  163    HB   VAL  17           HB       VAL  17  -6.175   9.879   6.743
  164   HG11  VAL  17          1HG1      VAL  17  -4.020  10.926   7.343
  165   HG12  VAL  17          2HG1      VAL  17  -3.949  10.046   5.815
  166   HG13  VAL  17          3HG1      VAL  17  -4.049  11.807   5.815
  167   HG21  VAL  17          1HG2      VAL  17  -7.028  11.528   7.960
  168   HG22  VAL  17          2HG2      VAL  17  -5.721  12.605   7.466
  169   HG23  VAL  17          3HG2      VAL  17  -7.191  12.501   6.498
  Start of MODEL   12
    1    H1   GLU   1           H        GLU   1   2.312   1.343   0.179
    2    HA   GLU   1           HA       GLU   1   3.294  -1.110  -0.487
    3    HB2  GLU   1          2HB       GLU   1   2.738   0.347  -3.065
    4    HB3  GLU   1          3HB       GLU   1   3.337  -1.292  -2.854
    5    HG2  GLU   1          2HG       GLU   1   1.120  -1.831  -1.776
    6    HG3  GLU   1          3HG       GLU   1   0.565  -0.259  -2.348
    7    H    PHE   2           H        PHE   2   3.386   2.318  -1.186
    8    HA   PHE   2           HA       PHE   2   5.089   3.827  -1.189
    9    HB2  PHE   2          2HB       PHE   2   5.737   2.556   0.898
   10    HB3  PHE   2          3HB       PHE   2   6.842   1.621  -0.103
   11    HD1  PHE   2           HD1      PHE   2   6.070   5.255  -0.197
   12    HD2  PHE   2           HD2      PHE   2   8.959   2.235   0.610
   13    HE1  PHE   2           HE1      PHE   2   7.793   6.987   0.097
   14    HE2  PHE   2           HE2      PHE   2  10.686   3.962   0.906
   15    HZ   PHE   2           HZ       PHE   2  10.104   6.341   0.650
   16    H    LYS   3           H        LYS   3   4.746   1.506  -3.263
   17    HA   LYS   3           HA       LYS   3   7.254   2.070  -4.707
   18    HB2  LYS   3          2HB       LYS   3   6.873  -0.123  -5.867
   19    HB3  LYS   3          3HB       LYS   3   7.248  -0.255  -4.154
   20    HG2  LYS   3          2HG       LYS   3   5.431  -1.483  -3.886
   21    HG3  LYS   3          3HG       LYS   3   4.448  -0.090  -4.343
   22    HD2  LYS   3          2HD       LYS   3   4.101  -0.858  -6.450
   23    HD3  LYS   3          3HD       LYS   3   5.694  -1.611  -6.553
   24    HE2  LYS   3          2HE       LYS   3   4.354  -3.045  -4.580
   25    HE3  LYS   3          3HE       LYS   3   3.143  -2.769  -5.831
   26    HZ1  LYS   3          1HZ       LYS   3   4.116  -4.671  -6.588
   27    HZ2  LYS   3          2HZ       LYS   3   5.644  -4.291  -5.969
   28    HZ3  LYS   3          3HZ       LYS   3   5.089  -3.533  -7.376
   29    H    ARG   4           H        ARG   4   3.988   2.626  -4.623
   30    HA   ARG   4           HA       ARG   4   3.598   2.655  -7.509
   31    HB2  ARG   4          2HB       ARG   4   1.292   3.458  -6.884
   32    HB3  ARG   4          3HB       ARG   4   1.718   1.861  -6.283
   33    HG2  ARG   4          2HG       ARG   4   1.264   2.497  -4.217
   34    HG3  ARG   4          3HG       ARG   4   2.464   3.786  -4.328
   35    HD2  ARG   4          2HD       ARG   4   0.193   4.598  -3.755
   36    HD3  ARG   4          3HD       ARG   4   0.834   5.297  -5.241
   37    HE   ARG   4           HE       ARG   4  -0.632   3.099  -6.016
   38   HH11  ARG   4          1HH1      ARG   4  -1.235   6.069  -4.304
   39   HH12  ARG   4          2HH1      ARG   4  -2.884   6.186  -4.823
   40   HH21  ARG   4          1HH2      ARG   4  -2.801   3.241  -6.706
   41   HH22  ARG   4          2HH2      ARG   4  -3.774   4.576  -6.188
   42    H    ILE   5           H        ILE   5   5.548   4.320  -7.219
   43    HA   ILE   5           HA       ILE   5   6.236   6.437  -7.704
   44    HB   ILE   5           HB       ILE   5   3.378   7.347  -7.854
   45   HG12  ILE   5          2HG1      ILE   5   3.368   5.313  -9.124
   46   HG13  ILE   5          3HG1      ILE   5   3.454   6.646 -10.271
   47   HG21  ILE   5          1HG2      ILE   5   6.010   8.260  -8.856
   48   HG22  ILE   5          2HG2      ILE   5   4.615   8.516  -9.904
   49   HG23  ILE   5          3HG2      ILE   5   4.630   9.192  -8.275
   50   HD11  ILE   5          1HD1      ILE   5   5.868   6.279 -10.486
   51   HD12  ILE   5          2HD1      ILE   5   5.744   4.913  -9.377
   52   HD13  ILE   5          3HD1      ILE   5   4.927   4.857 -10.939
   53    H    VAL   6           H        VAL   6   5.108   5.498  -4.961
   54    HA   VAL   6           HA       VAL   6   4.744   8.130  -3.719
   55    HB   VAL   6           HB       VAL   6   4.448   5.436  -2.395
   56   HG11  VAL   6          1HG1      VAL   6   4.516   6.853  -0.629
   57   HG12  VAL   6          2HG1      VAL   6   4.021   8.249  -1.588
   58   HG13  VAL   6          3HG1      VAL   6   2.819   7.075  -1.050
   59   HG21  VAL   6          1HG2      VAL   6   2.251   7.137  -3.564
   60   HG22  VAL   6          2HG2      VAL   6   2.917   5.701  -4.342
   61   HG23  VAL   6          3HG2      VAL   6   2.085   5.559  -2.794
   62    H    GLN   7           H        GLN   7   7.255   6.280  -4.545
   63    HA   GLN   7           HA       GLN   7   8.790   5.863  -2.273
   64    HB2  GLN   7          2HB       GLN   7   9.954   6.793  -4.891
   65    HB3  GLN   7          3HB       GLN   7  10.672   5.711  -3.705
   66    HG2  GLN   7          2HG       GLN   7   8.787   4.107  -4.234
   67    HG3  GLN   7          3HG       GLN   7   8.425   5.147  -5.610
   68   HE21  GLN   7          1HE2      GLN   7   9.087   4.110  -7.355
   69   HE22  GLN   7          2HE2      GLN   7  10.637   3.378  -7.571
   70    H    ARG   8           H        ARG   8   7.969   8.813  -3.873
   71    HA   ARG   8           HA       ARG   8  10.083  10.442  -2.972
   72    HB2  ARG   8          2HB       ARG   8   8.750  11.322  -4.704
   73    HB3  ARG   8          3HB       ARG   8   7.257  11.015  -3.827
   74    HG2  ARG   8          2HG       ARG   8   7.762  13.386  -3.880
   75    HG3  ARG   8          3HG       ARG   8   7.832  12.769  -2.228
   76    HD2  ARG   8          2HD       ARG   8   9.703  14.208  -2.523
   77    HD3  ARG   8          3HD       ARG   8  10.313  12.554  -2.515
   78    HE   ARG   8           HE       ARG   8   9.768  13.517  -5.153
   79   HH11  ARG   8          1HH1      ARG   8  12.103  13.511  -2.572
   80   HH12  ARG   8          2HH1      ARG   8  13.454  13.797  -3.618
   81   HH21  ARG   8          1HH2      ARG   8  11.538  13.893  -6.541
   82   HH22  ARG   8          2HH2      ARG   8  13.132  14.015  -5.876
   83    H    ILE   9           H        ILE   9   7.544   8.961  -1.288
   84    HA   ILE   9           HA       ILE   9   6.881   9.019   0.888
   85    HB   ILE   9           HB       ILE   9   9.159  10.892   1.477
   86   HG12  ILE   9          2HG1      ILE   9   9.977   8.239   1.975
   87   HG13  ILE   9          3HG1      ILE   9   9.307   8.246   0.347
   88   HG21  ILE   9          1HG2      ILE   9   7.301   9.251   3.018
   89   HG22  ILE   9          2HG2      ILE   9   8.989   9.036   3.482
   90   HG23  ILE   9          3HG2      ILE   9   8.264  10.643   3.512
   91   HD11  ILE   9          1HD1      ILE   9  10.803  10.158  -0.184
   92   HD12  ILE   9          2HD1      ILE   9  11.547   9.948   1.401
   93   HD13  ILE   9          3HD1      ILE   9  11.646   8.658   0.203
   94    H    LYS  10           H        LYS  10   6.518  11.405  -1.150
   95    HA   LYS  10           HA       LYS  10   6.078  13.760   0.242
   96    HB2  LYS  10          2HB       LYS  10   4.518  14.357  -1.559
   97    HB3  LYS  10          3HB       LYS  10   5.989  13.631  -2.193
   98    HG2  LYS  10          2HG       LYS  10   4.308  11.473  -1.868
   99    HG3  LYS  10          3HG       LYS  10   3.231  12.758  -2.420
  100    HD2  LYS  10          2HD       LYS  10   5.800  12.531  -3.852
  101    HD3  LYS  10          3HD       LYS  10   4.676  11.188  -4.074
  102    HE2  LYS  10          2HE       LYS  10   3.296  12.415  -5.338
  103    HE3  LYS  10          3HE       LYS  10   3.392  13.799  -4.250
  104    HZ1  LYS  10          1HZ       LYS  10   5.253  14.622  -5.331
  105    HZ2  LYS  10          2HZ       LYS  10   4.306  14.046  -6.609
  106    HZ3  LYS  10          3HZ       LYS  10   5.627  13.142  -6.061
  107    H    ASP  11           H        ASP  11   4.055  10.903  -0.029
  108    HA   ASP  11           HA       ASP  11   2.184  12.123   1.894
  109    HB2  ASP  11          2HB       ASP  11   1.677  10.349  -0.473
  110    HB3  ASP  11          3HB       ASP  11   0.555  10.353   0.886
  111    H    PHE  12           H        PHE  12   2.600   8.800   0.714
  112    HA   PHE  12           HA       PHE  12   3.137   6.859   1.784
  113    HB2  PHE  12          2HB       PHE  12   4.837   8.605   2.930
  114    HB3  PHE  12          3HB       PHE  12   3.883   8.160   4.342
  115    HD1  PHE  12           HD1      PHE  12   3.438   5.492   4.447
  116    HD2  PHE  12           HD2      PHE  12   6.759   7.414   2.604
  117    HE1  PHE  12           HE1      PHE  12   4.763   3.434   4.696
  118    HE2  PHE  12           HE2      PHE  12   8.089   5.359   2.850
  119    HZ   PHE  12           HZ       PHE  12   7.092   3.365   3.896
  120    H    LEU  13           H        LEU  13   2.092   8.943   4.480
  121    HA   LEU  13           HA       LEU  13  -0.058   7.006   5.017
  122    HB2  LEU  13          2HB       LEU  13   0.889   9.032   7.001
  123    HB3  LEU  13          3HB       LEU  13   0.092   7.485   7.283
  124    HG   LEU  13           HG       LEU  13   2.936   7.801   6.326
  125   HD11  LEU  13          1HD1      LEU  13   3.631   7.273   8.550
  126   HD12  LEU  13          2HD1      LEU  13   1.963   7.045   9.074
  127   HD13  LEU  13          3HD1      LEU  13   2.536   8.653   8.634
  128   HD21  LEU  13          1HD2      LEU  13   1.625   5.698   5.740
  129   HD22  LEU  13          2HD2      LEU  13   1.622   5.353   7.470
  130   HD23  LEU  13          3HD2      LEU  13   3.150   5.478   6.597
  131    H    ARG  14           H        ARG  14   0.486  10.001   3.717
  132    HA   ARG  14           HA       ARG  14  -1.948  11.241   4.722
  133    HB2  ARG  14          2HB       ARG  14   0.245  12.164   2.876
  134    HB3  ARG  14          3HB       ARG  14  -1.237  13.085   3.091
  135    HG2  ARG  14          2HG       ARG  14   0.570  12.299   5.362
  136    HG3  ARG  14          3HG       ARG  14   0.699  13.827   4.488
  137    HD2  ARG  14          2HD       ARG  14  -1.215  14.664   5.393
  138    HD3  ARG  14          3HD       ARG  14  -1.972  13.078   5.530
  139    HE   ARG  14           HE       ARG  14   0.119  13.107   7.339
  140   HH11  ARG  14          1HH1      ARG  14  -2.830  14.878   6.804
  141   HH12  ARG  14          2HH1      ARG  14  -3.072  15.237   8.481
  142   HH21  ARG  14          1HH2      ARG  14  -0.189  13.573   9.550
  143   HH22  ARG  14          2HH2      ARG  14  -1.569  14.495  10.042
  144    H    ASN  15           H        ASN  15  -1.485   8.863   2.657
  145    HA   ASN  15           HA       ASN  15  -3.517   9.824   0.751
  146    HB2  ASN  15          2HB       ASN  15  -1.097   9.183  -0.054
  147    HB3  ASN  15          3HB       ASN  15  -1.701   7.535   0.094
  148   HD21  ASN  15          1HD2      ASN  15  -1.452   7.291  -2.157
  149   HD22  ASN  15          2HD2      ASN  15  -2.602   7.960  -3.259
  150    H    LEU  16           H        LEU  16  -3.294   8.100   3.422
  151    HA   LEU  16           HA       LEU  16  -5.111   5.974   2.496
  152    HB2  LEU  16          2HB       LEU  16  -3.553   4.676   3.455
  153    HB3  LEU  16          3HB       LEU  16  -2.885   6.005   4.400
  154    HG   LEU  16           HG       LEU  16  -4.746   5.718   6.020
  155   HD11  LEU  16          1HD1      LEU  16  -5.631   3.841   3.977
  156   HD12  LEU  16          2HD1      LEU  16  -6.538   4.620   5.272
  157   HD13  LEU  16          3HD1      LEU  16  -5.619   3.151   5.600
  158   HD21  LEU  16          1HD2      LEU  16  -2.658   4.734   6.578
  159   HD22  LEU  16          2HD2      LEU  16  -2.921   3.387   5.471
  160   HD23  LEU  16          3HD2      LEU  16  -3.900   3.532   6.931
  161    H    VAL  17           H        VAL  17  -7.159   6.151   3.101
  162    HA   VAL  17           HA       VAL  17  -7.955   8.173   5.000
  163    HB   VAL  17           HB       VAL  17  -9.246   7.749   2.921
  164   HG11  VAL  17          1HG1      VAL  17 -10.106   5.203   4.290
  165   HG12  VAL  17          2HG1      VAL  17 -10.664   5.806   2.728
  166   HG13  VAL  17          3HG1      VAL  17  -8.989   5.288   2.929
  167   HG21  VAL  17          1HG2      VAL  17 -11.254   8.311   3.873
  168   HG22  VAL  17          2HG2      VAL  17 -11.101   7.121   5.166
  169   HG23  VAL  17          3HG2      VAL  17 -10.167   8.615   5.229
  Start of MODEL   13
    1    H1   GLU   1           H        GLU   1   2.311  -0.304  -0.404
    2    HA   GLU   1           HA       GLU   1   4.248  -1.510  -2.013
    3    HB2  GLU   1          2HB       GLU   1   2.594   0.954  -2.595
    4    HB3  GLU   1          3HB       GLU   1   3.453  -0.002  -3.794
    5    HG2  GLU   1          2HG       GLU   1   1.625  -1.549  -2.117
    6    HG3  GLU   1          3HG       GLU   1   0.842  -0.320  -3.108
    7    H    PHE   2           H        PHE   2   3.934   2.018  -1.667
    8    HA   PHE   2           HA       PHE   2   5.482   3.676  -1.486
    9    HB2  PHE   2          2HB       PHE   2   6.297   2.149   0.404
   10    HB3  PHE   2          3HB       PHE   2   7.527   1.597  -0.728
   11    HD1  PHE   2           HD1      PHE   2   6.115   4.958   0.067
   12    HD2  PHE   2           HD2      PHE   2   9.567   2.478  -0.162
   13    HE1  PHE   2           HE1      PHE   2   7.529   6.876   0.679
   14    HE2  PHE   2           HE2      PHE   2  10.986   4.392   0.450
   15    HZ   PHE   2           HZ       PHE   2   9.968   6.594   0.873
   16    H    LYS   3           H        LYS   3   5.335   1.571  -3.812
   17    HA   LYS   3           HA       LYS   3   7.730   2.569  -5.211
   18    HB2  LYS   3          2HB       LYS   3   7.788   0.521  -6.498
   19    HB3  LYS   3          3HB       LYS   3   7.805   0.130  -4.783
   20    HG2  LYS   3          2HG       LYS   3   5.112   0.224  -5.850
   21    HG3  LYS   3          3HG       LYS   3   6.132  -0.938  -6.701
   22    HD2  LYS   3          2HD       LYS   3   6.475  -1.034  -3.810
   23    HD3  LYS   3          3HD       LYS   3   4.817  -1.370  -4.315
   24    HE2  LYS   3          2HE       LYS   3   5.420  -3.251  -5.503
   25    HE3  LYS   3          3HE       LYS   3   7.078  -2.700  -5.737
   26    HZ1  LYS   3          1HZ       LYS   3   7.254  -4.392  -4.177
   27    HZ2  LYS   3          2HZ       LYS   3   5.864  -3.919  -3.338
   28    HZ3  LYS   3          3HZ       LYS   3   7.277  -2.995  -3.222
   29    H    ARG   4           H        ARG   4   4.407   2.683  -5.043
   30    HA   ARG   4           HA       ARG   4   4.030   3.113  -7.911
   31    HB2  ARG   4          2HB       ARG   4   1.617   3.254  -7.327
   32    HB3  ARG   4          3HB       ARG   4   2.358   1.728  -6.864
   33    HG2  ARG   4          2HG       ARG   4   1.917   2.046  -4.703
   34    HG3  ARG   4          3HG       ARG   4   2.446   3.729  -4.750
   35    HD2  ARG   4          2HD       ARG   4  -0.119   3.057  -6.081
   36    HD3  ARG   4          3HD       ARG   4  -0.088   3.032  -4.318
   37    HE   ARG   4           HE       ARG   4   1.079   5.415  -5.327
   38   HH11  ARG   4          1HH1      ARG   4  -1.983   3.851  -4.778
   39   HH12  ARG   4          2HH1      ARG   4  -2.861   5.336  -4.620
   40   HH21  ARG   4          1HH2      ARG   4  -0.067   7.377  -5.121
   41   HH22  ARG   4          2HH2      ARG   4  -1.770   7.341  -4.817
   42    H    ILE   5           H        ILE   5   5.573   5.046  -7.342
   43    HA   ILE   5           HA       ILE   5   5.809   7.311  -7.423
   44    HB   ILE   5           HB       ILE   5   2.826   7.639  -7.321
   45   HG12  ILE   5          2HG1      ILE   5   3.128   5.932  -8.976
   46   HG13  ILE   5          3HG1      ILE   5   2.891   7.451  -9.833
   47   HG21  ILE   5          1HG2      ILE   5   5.164   9.243  -8.169
   48   HG22  ILE   5          2HG2      ILE   5   3.689   9.408  -9.121
   49   HG23  ILE   5          3HG2      ILE   5   3.663   9.746  -7.391
   50   HD11  ILE   5          1HD1      ILE   5   4.637   6.161 -10.877
   51   HD12  ILE   5          2HD1      ILE   5   5.318   7.619 -10.156
   52   HD13  ILE   5          3HD1      ILE   5   5.515   6.062  -9.351
   53    H    VAL   6           H        VAL   6   5.022   5.655  -4.896
   54    HA   VAL   6           HA       VAL   6   4.342   7.922  -3.152
   55    HB   VAL   6           HB       VAL   6   4.324   4.983  -2.458
   56   HG11  VAL   6          1HG1      VAL   6   4.047   7.408  -0.913
   57   HG12  VAL   6          2HG1      VAL   6   2.606   6.397  -0.786
   58   HG13  VAL   6          3HG1      VAL   6   4.188   5.737  -0.368
   59   HG21  VAL   6          1HG2      VAL   6   2.676   5.625  -4.226
   60   HG22  VAL   6          2HG2      VAL   6   1.950   5.007  -2.743
   61   HG23  VAL   6          3HG2      VAL   6   1.953   6.741  -3.068
   62    H    GLN   7           H        GLN   7   6.968   6.182  -4.230
   63    HA   GLN   7           HA       GLN   7   8.546   5.695  -2.021
   64    HB2  GLN   7          2HB       GLN   7  10.490   6.234  -3.597
   65    HB3  GLN   7          3HB       GLN   7   9.381   4.962  -4.091
   66    HG2  GLN   7          2HG       GLN   7   8.551   7.560  -5.062
   67    HG3  GLN   7          3HG       GLN   7  10.177   7.136  -5.594
   68   HE21  GLN   7          1HE2      GLN   7  10.286   6.044  -7.410
   69   HE22  GLN   7          2HE2      GLN   7   9.052   5.031  -8.071
   70    H    ARG   8           H        ARG   8   7.653   8.731  -3.442
   71    HA   ARG   8           HA       ARG   8   9.672  10.393  -2.485
   72    HB2  ARG   8          2HB       ARG   8   6.775  11.209  -2.595
   73    HB3  ARG   8          3HB       ARG   8   8.199  12.206  -2.864
   74    HG2  ARG   8          2HG       ARG   8   7.106  10.063  -4.668
   75    HG3  ARG   8          3HG       ARG   8   7.157  11.801  -4.968
   76    HD2  ARG   8          2HD       ARG   8   9.481   9.893  -4.800
   77    HD3  ARG   8          3HD       ARG   8   8.925  10.786  -6.214
   78    HE   ARG   8           HE       ARG   8  10.603  11.763  -4.098
   79   HH11  ARG   8          1HH1      ARG   8   8.340  12.649  -6.591
   80   HH12  ARG   8          2HH1      ARG   8   8.938  14.268  -6.740
   81   HH21  ARG   8          1HH2      ARG   8  11.398  13.892  -4.284
   82   HH22  ARG   8          2HH2      ARG   8  10.678  14.974  -5.427
   83    H    ILE   9           H        ILE   9   7.075   8.829  -0.816
   84    HA   ILE   9           HA       ILE   9   6.750   8.548   1.436
   85    HB   ILE   9           HB       ILE   9   9.354   9.499   1.386
   86   HG12  ILE   9          2HG1      ILE   9   8.612   7.575   2.653
   87   HG13  ILE   9          3HG1      ILE   9   9.405   8.703   3.747
   88   HG21  ILE   9          1HG2      ILE   9   8.364  11.755   1.907
   89   HG22  ILE   9          2HG2      ILE   9   7.858  11.086   3.458
   90   HG23  ILE   9          3HG2      ILE   9   9.572  11.173   3.053
   91   HD11  ILE   9          1HD1      ILE   9   7.315   9.426   4.627
   92   HD12  ILE   9          2HD1      ILE   9   6.426   8.524   3.400
   93   HD13  ILE   9          3HD1      ILE   9   7.334   7.663   4.642
   94    H    LYS  10           H        LYS  10   6.487  11.405  -0.291
   95    HA   LYS  10           HA       LYS  10   5.629  13.328   1.472
   96    HB2  LYS  10          2HB       LYS  10   4.376  14.296  -0.345
   97    HB3  LYS  10          3HB       LYS  10   5.868  13.622  -0.987
   98    HG2  LYS  10          2HG       LYS  10   4.141  11.528  -1.261
   99    HG3  LYS  10          3HG       LYS  10   3.090  12.917  -1.548
  100    HD2  LYS  10          2HD       LYS  10   5.717  12.997  -2.886
  101    HD3  LYS  10          3HD       LYS  10   4.603  11.752  -3.456
  102    HE2  LYS  10          2HE       LYS  10   2.971  13.343  -4.051
  103    HE3  LYS  10          3HE       LYS  10   3.769  14.621  -3.137
  104    HZ1  LYS  10          1HZ       LYS  10   5.572  14.612  -4.713
  105    HZ2  LYS  10          2HZ       LYS  10   4.111  14.829  -5.538
  106    HZ3  LYS  10          3HZ       LYS  10   4.882  13.323  -5.565
  107    H    ASP  11           H        ASP  11   3.937  10.465   0.385
  108    HA   ASP  11           HA       ASP  11   1.686  11.183   2.147
  109    HB2  ASP  11          2HB       ASP  11   1.764   9.795  -0.504
  110    HB3  ASP  11          3HB       ASP  11   0.489   9.387   0.640
  111    H    PHE  12           H        PHE  12   2.601   8.114   0.627
  112    HA   PHE  12           HA       PHE  12   3.188   6.091   1.502
  113    HB2  PHE  12          2HB       PHE  12   4.615   7.720   3.031
  114    HB3  PHE  12          3HB       PHE  12   3.478   7.188   4.264
  115    HD1  PHE  12           HD1      PHE  12   6.516   6.483   2.640
  116    HD2  PHE  12           HD2      PHE  12   3.158   4.605   4.460
  117    HE1  PHE  12           HE1      PHE  12   7.844   4.439   2.974
  118    HE2  PHE  12           HE2      PHE  12   4.481   2.559   4.797
  119    HZ   PHE  12           HZ       PHE  12   6.828   2.474   4.055
  120    H    LEU  13           H        LEU  13   1.604   7.690   4.267
  121    HA   LEU  13           HA       LEU  13  -0.417   5.548   4.219
  122    HB2  LEU  13          2HB       LEU  13   0.227   7.263   6.596
  123    HB3  LEU  13          3HB       LEU  13  -0.627   5.722   6.554
  124    HG   LEU  13           HG       LEU  13   2.282   5.928   5.833
  125   HD11  LEU  13          1HD1      LEU  13   2.921   5.535   8.066
  126   HD12  LEU  13          2HD1      LEU  13   1.255   5.275   8.580
  127   HD13  LEU  13          3HD1      LEU  13   1.794   6.891   8.123
  128   HD21  LEU  13          1HD2      LEU  13   0.861   3.900   5.284
  129   HD22  LEU  13          2HD2      LEU  13   0.748   3.632   7.024
  130   HD23  LEU  13          3HD2      LEU  13   2.322   3.605   6.227
  131    H    ARG  14           H        ARG  14   0.090   8.832   3.702
  132    HA   ARG  14           HA       ARG  14  -2.579   9.673   4.474
  133    HB2  ARG  14          2HB       ARG  14  -0.332  11.164   3.108
  134    HB3  ARG  14          3HB       ARG  14  -1.861  11.883   3.594
  135    HG2  ARG  14          2HG       ARG  14  -1.253  12.033   5.746
  136    HG3  ARG  14          3HG       ARG  14  -0.441  10.466   5.732
  137    HD2  ARG  14          2HD       ARG  14   1.555  11.355   5.024
  138    HD3  ARG  14          3HD       ARG  14   0.785  12.733   4.239
  139    HE   ARG  14           HE       ARG  14   1.765  12.629   6.896
  140   HH11  ARG  14          1HH1      ARG  14  -0.823  13.932   4.965
  141   HH12  ARG  14          2HH1      ARG  14  -1.094  15.288   6.009
  142   HH21  ARG  14          1HH2      ARG  14   1.417  14.410   8.278
  143   HH22  ARG  14          2HH2      ARG  14   0.181  15.559   7.893
  144    H    ASN  15           H        ASN  15  -1.577   7.840   2.065
  145    HA   ASN  15           HA       ASN  15  -2.704   9.164  -0.217
  146    HB2  ASN  15          2HB       ASN  15  -0.903   7.531  -0.491
  147    HB3  ASN  15          3HB       ASN  15  -1.921   6.269   0.198
  148   HD21  ASN  15          1HD2      ASN  15  -3.174   5.126  -1.118
  149   HD22  ASN  15          2HD2      ASN  15  -3.460   5.483  -2.785
  150    H    LEU  16           H        LEU  16  -4.075   7.755   2.444
  151    HA   LEU  16           HA       LEU  16  -6.465   6.883   0.966
  152    HB2  LEU  16          2HB       LEU  16  -7.093   5.721   3.055
  153    HB3  LEU  16          3HB       LEU  16  -5.586   5.142   2.349
  154    HG   LEU  16           HG       LEU  16  -4.681   6.994   4.135
  155   HD11  LEU  16          1HD1      LEU  16  -5.863   6.592   6.237
  156   HD12  LEU  16          2HD1      LEU  16  -7.077   5.649   5.375
  157   HD13  LEU  16          3HD1      LEU  16  -6.905   7.373   5.047
  158   HD21  LEU  16          1HD2      LEU  16  -4.147   4.481   3.660
  159   HD22  LEU  16          2HD2      LEU  16  -5.189   4.201   5.056
  160   HD23  LEU  16          3HD2      LEU  16  -3.741   5.197   5.220
  161    H    VAL  17           H        VAL  17  -5.270   9.029   3.456
  162    HA   VAL  17           HA       VAL  17  -7.813   9.926   4.369
  163    HB   VAL  17           HB       VAL  17  -5.150  11.343   4.542
  164   HG11  VAL  17          1HG1      VAL  17  -6.482  13.016   5.239
  165   HG12  VAL  17          2HG1      VAL  17  -7.847  11.940   5.545
  166   HG13  VAL  17          3HG1      VAL  17  -6.553  12.086   6.735
  167   HG21  VAL  17          1HG2      VAL  17  -5.056   9.110   5.529
  168   HG22  VAL  17          2HG2      VAL  17  -4.976  10.358   6.772
  169   HG23  VAL  17          3HG2      VAL  17  -6.479   9.476   6.504
  Start of MODEL   14
    1    H1   GLU   1           H        GLU   1   1.749   1.707  -0.978
    2    HA   GLU   1           HA       GLU   1   3.289  -0.710  -0.638
    3    HB2  GLU   1          2HB       GLU   1   2.907   0.822  -3.205
    4    HB3  GLU   1          3HB       GLU   1   3.261  -0.889  -3.007
    5    HG2  GLU   1          2HG       GLU   1   1.029  -1.168  -1.955
    6    HG3  GLU   1          3HG       GLU   1   0.686   0.517  -2.344
    7    H    PHE   2           H        PHE   2   3.888   2.664  -1.365
    8    HA   PHE   2           HA       PHE   2   5.803   3.896  -1.357
    9    HB2  PHE   2          2HB       PHE   2   6.297   2.344   0.642
   10    HB3  PHE   2          3HB       PHE   2   7.340   1.464  -0.471
   11    HD1  PHE   2           HD1      PHE   2   6.768   4.762   1.099
   12    HD2  PHE   2           HD2      PHE   2   9.490   2.247  -0.995
   13    HE1  PHE   2           HE1      PHE   2   8.585   6.358   1.550
   14    HE2  PHE   2           HE2      PHE   2  11.312   3.838  -0.546
   15    HZ   PHE   2           HZ       PHE   2  10.861   5.897   0.729
   16    H    LYS   3           H        LYS   3   5.060   1.632  -3.440
   17    HA   LYS   3           HA       LYS   3   7.531   1.953  -5.015
   18    HB2  LYS   3          2HB       LYS   3   7.032  -0.199  -6.088
   19    HB3  LYS   3          3HB       LYS   3   7.237  -0.378  -4.351
   20    HG2  LYS   3          2HG       LYS   3   5.344  -1.551  -4.441
   21    HG3  LYS   3          3HG       LYS   3   4.545   0.018  -4.565
   22    HD2  LYS   3          2HD       LYS   3   3.667  -1.249  -6.337
   23    HD3  LYS   3          3HD       LYS   3   4.875  -0.203  -7.086
   24    HE2  LYS   3          2HE       LYS   3   6.494  -2.156  -6.775
   25    HE3  LYS   3          3HE       LYS   3   5.063  -3.135  -6.454
   26    HZ1  LYS   3          1HZ       LYS   3   6.101  -2.235  -8.943
   27    HZ2  LYS   3          2HZ       LYS   3   4.494  -1.742  -8.754
   28    HZ3  LYS   3          3HZ       LYS   3   4.894  -3.382  -8.638
   29    H    ARG   4           H        ARG   4   4.315   2.759  -4.762
   30    HA   ARG   4           HA       ARG   4   4.008   3.081  -7.671
   31    HB2  ARG   4          2HB       ARG   4   1.584   3.381  -7.170
   32    HB3  ARG   4          3HB       ARG   4   2.207   1.797  -6.728
   33    HG2  ARG   4          2HG       ARG   4   2.032   2.206  -4.471
   34    HG3  ARG   4          3HG       ARG   4   2.105   3.957  -4.676
   35    HD2  ARG   4          2HD       ARG   4  -0.166   3.283  -6.060
   36    HD3  ARG   4          3HD       ARG   4  -0.192   2.153  -4.708
   37    HE   ARG   4           HE       ARG   4  -0.568   3.912  -3.272
   38   HH11  ARG   4          1HH1      ARG   4   0.294   5.118  -6.422
   39   HH12  ARG   4          2HH1      ARG   4  -0.126   6.758  -6.053
   40   HH21  ARG   4          1HH2      ARG   4  -1.125   6.067  -2.774
   41   HH22  ARG   4          2HH2      ARG   4  -0.933   7.297  -3.978
   42    H    ILE   5           H        ILE   5   5.632   4.910  -7.068
   43    HA   ILE   5           HA       ILE   5   6.014   7.155  -7.098
   44    HB   ILE   5           HB       ILE   5   3.057   7.674  -7.085
   45   HG12  ILE   5          2HG1      ILE   5   3.300   5.957  -8.741
   46   HG13  ILE   5          3HG1      ILE   5   3.178   7.493  -9.592
   47   HG21  ILE   5          1HG2      ILE   5   5.519   9.124  -7.858
   48   HG22  ILE   5          2HG2      ILE   5   4.083   9.393  -8.844
   49   HG23  ILE   5          3HG2      ILE   5   4.037   9.721  -7.112
   50   HD11  ILE   5          1HD1      ILE   5   4.870   6.097 -10.597
   51   HD12  ILE   5          2HD1      ILE   5   5.615   7.515  -9.858
   52   HD13  ILE   5          3HD1      ILE   5   5.703   5.951  -9.050
   53    H    VAL   6           H        VAL   6   5.032   5.526  -4.618
   54    HA   VAL   6           HA       VAL   6   4.392   7.795  -2.869
   55    HB   VAL   6           HB       VAL   6   4.293   4.838  -2.256
   56   HG11  VAL   6          1HG1      VAL   6   4.490   5.731  -0.169
   57   HG12  VAL   6          2HG1      VAL   6   3.818   7.290  -0.651
   58   HG13  VAL   6          3HG1      VAL   6   2.749   5.912  -0.387
   59   HG21  VAL   6          1HG2      VAL   6   1.949   6.679  -2.644
   60   HG22  VAL   6          2HG2      VAL   6   2.641   5.740  -3.967
   61   HG23  VAL   6          3HG2      VAL   6   1.958   4.917  -2.565
   62    H    GLN   7           H        GLN   7   6.989   5.894  -3.851
   63    HA   GLN   7           HA       GLN   7   8.499   5.480  -1.576
   64    HB2  GLN   7          2HB       GLN   7  10.495   5.810  -3.143
   65    HB3  GLN   7          3HB       GLN   7   9.333   4.562  -3.572
   66    HG2  GLN   7          2HG       GLN   7   8.591   5.679  -5.404
   67    HG3  GLN   7          3HG       GLN   7   8.916   7.265  -4.707
   68   HE21  GLN   7          1HE2      GLN   7  11.303   7.712  -4.368
   69   HE22  GLN   7          2HE2      GLN   7  12.358   7.262  -5.659
   70    H    ARG   8           H        ARG   8   7.774   8.448  -3.216
   71    HA   ARG   8           HA       ARG   8   9.861  10.071  -2.328
   72    HB2  ARG   8          2HB       ARG   8   7.020  11.034  -2.578
   73    HB3  ARG   8          3HB       ARG   8   8.506  11.920  -2.895
   74    HG2  ARG   8          2HG       ARG   8   8.908  10.298  -4.795
   75    HG3  ARG   8          3HG       ARG   8   7.245   9.759  -4.553
   76    HD2  ARG   8          2HD       ARG   8   6.389  11.593  -5.516
   77    HD3  ARG   8          3HD       ARG   8   7.532  12.663  -4.704
   78    HE   ARG   8           HE       ARG   8   8.795  11.172  -6.769
   79   HH11  ARG   8          1HH1      ARG   8   6.712  13.900  -6.188
   80   HH12  ARG   8          2HH1      ARG   8   7.175  14.728  -7.638
   81   HH21  ARG   8          1HH2      ARG   8   9.413  12.252  -8.681
   82   HH22  ARG   8          2HH2      ARG   8   8.710  13.790  -9.056
   83    H    ILE   9           H        ILE   9   7.231   8.683  -0.604
   84    HA   ILE   9           HA       ILE   9   6.858   8.586   1.656
   85    HB   ILE   9           HB       ILE   9   9.453   9.555   1.585
   86   HG12  ILE   9          2HG1      ILE   9   8.696   7.738   2.994
   87   HG13  ILE   9          3HG1      ILE   9   9.457   8.962   4.005
   88   HG21  ILE   9          1HG2      ILE   9   8.430  11.837   1.891
   89   HG22  ILE   9          2HG2      ILE   9   7.902  11.297   3.484
   90   HG23  ILE   9          3HG2      ILE   9   9.622  11.368   3.103
   91   HD11  ILE   9          1HD1      ILE   9   7.378   7.990   4.947
   92   HD12  ILE   9          2HD1      ILE   9   7.337   9.744   4.765
   93   HD13  ILE   9          3HD1      ILE   9   6.488   8.717   3.610
   94    H    LYS  10           H        LYS  10   6.599  11.280  -0.310
   95    HA   LYS  10           HA       LYS  10   5.694  13.342   1.258
   96    HB2  LYS  10          2HB       LYS  10   4.444  14.120  -0.653
   97    HB3  LYS  10          3HB       LYS  10   5.954  13.414  -1.214
   98    HG2  LYS  10          2HG       LYS  10   4.258  11.277  -1.311
   99    HG3  LYS  10          3HG       LYS  10   3.195  12.618  -1.741
  100    HD2  LYS  10          2HD       LYS  10   5.616  13.012  -3.136
  101    HD3  LYS  10          3HD       LYS  10   5.185  11.311  -3.330
  102    HE2  LYS  10          2HE       LYS  10   4.180  12.535  -5.119
  103    HE3  LYS  10          3HE       LYS  10   2.900  12.043  -4.011
  104    HZ1  LYS  10          1HZ       LYS  10   3.319  14.371  -2.990
  105    HZ2  LYS  10          2HZ       LYS  10   2.388  14.232  -4.394
  106    HZ3  LYS  10          3HZ       LYS  10   4.003  14.725  -4.496
  107    H    ASP  11           H        ASP  11   4.042  10.372   0.416
  108    HA   ASP  11           HA       ASP  11   1.780  11.211   2.111
  109    HB2  ASP  11          2HB       ASP  11   1.830   9.501  -0.370
  110    HB3  ASP  11          3HB       ASP  11   0.486   9.448   0.767
  111    H    PHE  12           H        PHE  12   2.675   8.044   0.797
  112    HA   PHE  12           HA       PHE  12   3.256   6.081   1.801
  113    HB2  PHE  12          2HB       PHE  12   4.726   7.789   3.186
  114    HB3  PHE  12          3HB       PHE  12   3.598   7.375   4.472
  115    HD1  PHE  12           HD1      PHE  12   3.172   4.729   4.654
  116    HD2  PHE  12           HD2      PHE  12   6.668   6.587   3.091
  117    HE1  PHE  12           HE1      PHE  12   4.465   2.691   5.134
  118    HE2  PHE  12           HE2      PHE  12   7.967   4.552   3.567
  119    HZ   PHE  12           HZ       PHE  12   6.866   2.601   4.589
  120    H    LEU  13           H        LEU  13   1.729   7.878   4.474
  121    HA   LEU  13           HA       LEU  13  -0.232   5.702   4.703
  122    HB2  LEU  13          2HB       LEU  13   0.199   7.842   6.754
  123    HB3  LEU  13          3HB       LEU  13  -0.477   6.228   6.964
  124    HG   LEU  13           HG       LEU  13   2.422   6.730   6.319
  125   HD11  LEU  13          1HD1      LEU  13   1.249   6.181   9.036
  126   HD12  LEU  13          2HD1      LEU  13   1.716   7.785   8.474
  127   HD13  LEU  13          3HD1      LEU  13   2.933   6.519   8.634
  128   HD21  LEU  13          1HD2      LEU  13   1.114   4.326   7.569
  129   HD22  LEU  13          2HD2      LEU  13   2.753   4.467   6.932
  130   HD23  LEU  13          3HD2      LEU  13   1.374   4.488   5.832
  131    H    ARG  14           H        ARG  14   0.086   8.802   3.517
  132    HA   ARG  14           HA       ARG  14  -2.611   9.675   4.146
  133    HB2  ARG  14          2HB       ARG  14  -0.186  10.890   3.006
  134    HB3  ARG  14          3HB       ARG  14  -1.687  11.443   2.277
  135    HG2  ARG  14          2HG       ARG  14  -2.016  12.810   3.981
  136    HG3  ARG  14          3HG       ARG  14  -2.038  11.437   5.089
  137    HD2  ARG  14          2HD       ARG  14   0.093  11.777   5.765
  138    HD3  ARG  14          3HD       ARG  14   0.623  12.316   4.172
  139    HE   ARG  14           HE       ARG  14  -1.007  14.315   5.145
  140   HH11  ARG  14          1HH1      ARG  14   1.952  12.756   6.113
  141   HH12  ARG  14          2HH1      ARG  14   2.579  14.156   6.918
  142   HH21  ARG  14          1HH2      ARG  14  -0.192  16.165   6.201
  143   HH22  ARG  14          2HH2      ARG  14   1.358  16.094   6.969
  144    H    ASN  15           H        ASN  15  -1.549   7.400   2.177
  145    HA   ASN  15           HA       ASN  15  -2.966   8.168  -0.240
  146    HB2  ASN  15          2HB       ASN  15  -1.567   5.576   0.456
  147    HB3  ASN  15          3HB       ASN  15  -2.177   6.025  -1.134
  148   HD21  ASN  15          1HD2      ASN  15  -1.355   8.370  -1.728
  149   HD22  ASN  15          2HD2      ASN  15   0.356   8.561  -1.587
  150    H    LEU  16           H        LEU  16  -4.027   7.261   2.631
  151    HA   LEU  16           HA       LEU  16  -6.095   5.448   1.577
  152    HB2  LEU  16          2HB       LEU  16  -6.393   4.598   3.786
  153    HB3  LEU  16          3HB       LEU  16  -4.675   4.547   3.397
  154    HG   LEU  16           HG       LEU  16  -4.794   6.912   4.684
  155   HD11  LEU  16          1HD1      LEU  16  -7.044   5.228   5.727
  156   HD12  LEU  16          2HD1      LEU  16  -7.038   6.943   5.320
  157   HD13  LEU  16          3HD1      LEU  16  -6.193   6.376   6.760
  158   HD21  LEU  16          1HD2      LEU  16  -3.368   4.831   5.064
  159   HD22  LEU  16          2HD2      LEU  16  -4.611   4.331   6.211
  160   HD23  LEU  16          3HD2      LEU  16  -3.723   5.834   6.470
  161    H    VAL  17           H        VAL  17  -5.474   8.393   3.366
  162    HA   VAL  17           HA       VAL  17  -8.045   8.947   4.300
  163    HB   VAL  17           HB       VAL  17  -7.326  11.379   4.141
  164   HG11  VAL  17          1HG1      VAL  17  -5.553   9.400   5.567
  165   HG12  VAL  17          2HG1      VAL  17  -5.626  11.128   5.919
  166   HG13  VAL  17          3HG1      VAL  17  -7.045  10.113   6.177
  167   HG21  VAL  17          1HG2      VAL  17  -5.624  10.564   2.240
  168   HG22  VAL  17          2HG2      VAL  17  -5.350  12.002   3.222
  169   HG23  VAL  17          3HG2      VAL  17  -4.553  10.486   3.639
  Start of MODEL   15
    1    H1   GLU   1           H        GLU   1   3.436   0.561   0.158
    2    HA   GLU   1           HA       GLU   1   4.169  -1.279  -1.992
    3    HB2  GLU   1          2HB       GLU   1   2.575   1.254  -2.424
    4    HB3  GLU   1          3HB       GLU   1   3.265   0.261  -3.700
    5    HG2  GLU   1          2HG       GLU   1   1.864  -1.635  -2.570
    6    HG3  GLU   1          3HG       GLU   1   0.938  -0.280  -1.926
    7    H    PHE   2           H        PHE   2   4.070   2.265  -1.697
    8    HA   PHE   2           HA       PHE   2   5.710   3.843  -1.712
    9    HB2  PHE   2          2HB       PHE   2   6.650   2.214   0.082
   10    HB3  PHE   2          3HB       PHE   2   7.778   1.730  -1.179
   11    HD1  PHE   2           HD1      PHE   2   6.402   5.020  -0.077
   12    HD2  PHE   2           HD2      PHE   2   9.850   2.633  -0.807
   13    HE1  PHE   2           HE1      PHE   2   7.842   6.934   0.485
   14    HE2  PHE   2           HE2      PHE   2  11.295   4.543  -0.246
   15    HZ   PHE   2           HZ       PHE   2  10.292   6.697   0.402
   16    H    LYS   3           H        LYS   3   5.216   1.694  -3.960
   17    HA   LYS   3           HA       LYS   3   7.477   2.569  -5.637
   18    HB2  LYS   3          2HB       LYS   3   7.347   0.492  -6.855
   19    HB3  LYS   3          3HB       LYS   3   7.500   0.132  -5.140
   20    HG2  LYS   3          2HG       LYS   3   4.729   0.311  -5.923
   21    HG3  LYS   3          3HG       LYS   3   5.603  -0.870  -6.902
   22    HD2  LYS   3          2HD       LYS   3   6.541  -1.688  -4.626
   23    HD3  LYS   3          3HD       LYS   3   5.169  -0.814  -3.939
   24    HE2  LYS   3          2HE       LYS   3   4.012  -2.695  -4.286
   25    HE3  LYS   3          3HE       LYS   3   4.017  -2.232  -5.987
   26    HZ1  LYS   3          1HZ       LYS   3   6.405  -3.605  -5.177
   27    HZ2  LYS   3          2HZ       LYS   3   5.389  -3.894  -6.498
   28    HZ3  LYS   3          3HZ       LYS   3   5.011  -4.543  -4.982
   29    H    ARG   4           H        ARG   4   4.199   2.807  -5.109
   30    HA   ARG   4           HA       ARG   4   3.540   3.208  -7.934
   31    HB2  ARG   4          2HB       ARG   4   1.189   3.463  -7.035
   32    HB3  ARG   4          3HB       ARG   4   1.918   1.876  -6.826
   33    HG2  ARG   4          2HG       ARG   4   1.820   1.995  -4.600
   34    HG3  ARG   4          3HG       ARG   4   2.369   3.672  -4.572
   35    HD2  ARG   4          2HD       ARG   4  -0.411   2.927  -5.428
   36    HD3  ARG   4          3HD       ARG   4   0.002   3.176  -3.733
   37    HE   ARG   4           HE       ARG   4   0.898   5.393  -5.171
   38   HH11  ARG   4          1HH1      ARG   4  -2.102   3.857  -4.299
   39   HH12  ARG   4          2HH1      ARG   4  -3.012   5.331  -4.315
   40   HH21  ARG   4          1HH2      ARG   4  -0.289   7.340  -5.196
   41   HH22  ARG   4          2HH2      ARG   4  -1.980   7.311  -4.827
   42    H    ILE   5           H        ILE   5   5.189   5.115  -7.441
   43    HA   ILE   5           HA       ILE   5   5.454   7.376  -7.552
   44    HB   ILE   5           HB       ILE   5   2.488   7.750  -7.260
   45   HG12  ILE   5          2HG1      ILE   5   2.658   6.044  -8.933
   46   HG13  ILE   5          3HG1      ILE   5   2.395   7.569  -9.772
   47   HG21  ILE   5          1HG2      ILE   5   4.791   9.325  -8.241
   48   HG22  ILE   5          2HG2      ILE   5   3.270   9.508  -9.113
   49   HG23  ILE   5          3HG2      ILE   5   3.341   9.846  -7.384
   50   HD11  ILE   5          1HD1      ILE   5   4.052   6.251 -10.923
   51   HD12  ILE   5          2HD1      ILE   5   4.801   7.695 -10.242
   52   HD13  ILE   5          3HD1      ILE   5   5.019   6.133  -9.453
   53    H    VAL   6           H        VAL   6   4.814   5.738  -4.976
   54    HA   VAL   6           HA       VAL   6   4.314   8.029  -3.199
   55    HB   VAL   6           HB       VAL   6   4.233   5.113  -2.432
   56   HG11  VAL   6          1HG1      VAL   6   3.905   7.642  -1.025
   57   HG12  VAL   6          2HG1      VAL   6   2.554   6.533  -0.782
   58   HG13  VAL   6          3HG1      VAL   6   4.196   6.022  -0.391
   59   HG21  VAL   6          1HG2      VAL   6   1.912   6.885  -3.186
   60   HG22  VAL   6          2HG2      VAL   6   2.572   5.595  -4.192
   61   HG23  VAL   6          3HG2      VAL   6   1.822   5.210  -2.643
   62    H    GLN   7           H        GLN   7   6.836   6.459  -4.511
   63    HA   GLN   7           HA       GLN   7   8.514   5.785  -2.377
   64    HB2  GLN   7          2HB       GLN   7   9.182   5.063  -4.518
   65    HB3  GLN   7          3HB       GLN   7   9.054   6.680  -5.197
   66    HG2  GLN   7          2HG       GLN   7  11.086   7.330  -4.405
   67    HG3  GLN   7          3HG       GLN   7  11.017   6.244  -3.018
   68   HE21  GLN   7          1HE2      GLN   7  11.047   6.032  -6.564
   69   HE22  GLN   7          2HE2      GLN   7  12.190   4.739  -6.646
   70    H    ARG   8           H        ARG   8   7.453   8.839  -3.490
   71    HA   ARG   8           HA       ARG   8   9.633  10.446  -2.698
   72    HB2  ARG   8          2HB       ARG   8   6.765  11.351  -2.617
   73    HB3  ARG   8          3HB       ARG   8   8.201  12.295  -2.988
   74    HG2  ARG   8          2HG       ARG   8   6.909  10.195  -4.712
   75    HG3  ARG   8          3HG       ARG   8   6.979  11.934  -5.007
   76    HD2  ARG   8          2HD       ARG   8   9.294  10.002  -4.977
   77    HD3  ARG   8          3HD       ARG   8   8.614  10.817  -6.385
   78    HE   ARG   8           HE       ARG   8   9.347  12.859  -4.756
   79   HH11  ARG   8          1HH1      ARG   8  11.000  10.075  -6.037
   80   HH12  ARG   8          2HH1      ARG   8  12.550  10.848  -6.069
   81   HH21  ARG   8          1HH2      ARG   8  11.383  13.887  -4.794
   82   HH22  ARG   8          2HH2      ARG   8  12.767  13.016  -5.361
   83    H    ILE   9           H        ILE   9   7.121   8.875  -0.924
   84    HA   ILE   9           HA       ILE   9   6.914   8.553   1.336
   85    HB   ILE   9           HB       ILE   9   9.518   9.490   1.164
   86   HG12  ILE   9          2HG1      ILE   9   8.833   7.544   2.429
   87   HG13  ILE   9          3HG1      ILE   9   9.691   8.644   3.502
   88   HG21  ILE   9          1HG2      ILE   9   8.571  11.739   1.786
   89   HG22  ILE   9          2HG2      ILE   9   8.148  11.040   3.348
   90   HG23  ILE   9          3HG2      ILE   9   9.837  11.127   2.850
   91   HD11  ILE   9          1HD1      ILE   9   6.696   8.479   3.311
   92   HD12  ILE   9          2HD1      ILE   9   7.669   7.603   4.493
   93   HD13  ILE   9          3HD1      ILE   9   7.649   9.366   4.500
   94    H    LYS  10           H        LYS  10   6.571  11.441  -0.319
   95    HA   LYS  10           HA       LYS  10   5.831  13.341   1.516
   96    HB2  LYS  10          2HB       LYS  10   4.464  14.334  -0.205
   97    HB3  LYS  10          3HB       LYS  10   5.912  13.667  -0.948
   98    HG2  LYS  10          2HG       LYS  10   4.166  11.578  -1.138
   99    HG3  LYS  10          3HG       LYS  10   3.104  12.973  -1.343
  100    HD2  LYS  10          2HD       LYS  10   5.641  13.070  -2.840
  101    HD3  LYS  10          3HD       LYS  10   4.499  11.825  -3.353
  102    HE2  LYS  10          2HE       LYS  10   3.930  13.675  -4.654
  103    HE3  LYS  10          3HE       LYS  10   2.753  13.706  -3.342
  104    HZ1  LYS  10          1HZ       LYS  10   4.621  15.224  -2.280
  105    HZ2  LYS  10          2HZ       LYS  10   3.413  15.855  -3.282
  106    HZ3  LYS  10          3HZ       LYS  10   4.952  15.537  -3.909
  107    H    ASP  11           H        ASP  11   4.058  10.499   0.503
  108    HA   ASP  11           HA       ASP  11   1.948  11.187   2.443
  109    HB2  ASP  11          2HB       ASP  11   1.758   9.731  -0.191
  110    HB3  ASP  11          3HB       ASP  11   0.493   9.637   1.031
  111    H    PHE  12           H        PHE  12   2.687   8.175   0.724
  112    HA   PHE  12           HA       PHE  12   3.304   6.108   1.462
  113    HB2  PHE  12          2HB       PHE  12   4.870   7.642   2.950
  114    HB3  PHE  12          3HB       PHE  12   3.815   7.076   4.240
  115    HD1  PHE  12           HD1      PHE  12   6.769   6.439   2.518
  116    HD2  PHE  12           HD2      PHE  12   3.405   4.446   4.200
  117    HE1  PHE  12           HE1      PHE  12   8.078   4.361   2.667
  118    HE2  PHE  12           HE2      PHE  12   4.709   2.366   4.352
  119    HZ   PHE  12           HZ       PHE  12   7.049   2.322   3.586
  120    H    LEU  13           H        LEU  13   1.953   7.603   4.403
  121    HA   LEU  13           HA       LEU  13  -0.023   5.430   4.495
  122    HB2  LEU  13          2HB       LEU  13   0.574   7.309   6.751
  123    HB3  LEU  13          3HB       LEU  13  -0.135   5.697   6.815
  124    HG   LEU  13           HG       LEU  13   2.734   6.199   6.049
  125   HD11  LEU  13          1HD1      LEU  13   2.123   7.020   8.365
  126   HD12  LEU  13          2HD1      LEU  13   3.399   5.806   8.274
  127   HD13  LEU  13          3HD1      LEU  13   1.770   5.338   8.762
  128   HD21  LEU  13          1HD2      LEU  13   1.453   3.707   7.140
  129   HD22  LEU  13          2HD2      LEU  13   3.033   3.881   6.376
  130   HD23  LEU  13          3HD2      LEU  13   1.564   4.045   5.413
  131    H    ARG  14           H        ARG  14   0.283   8.657   3.687
  132    HA   ARG  14           HA       ARG  14  -2.378   9.447   4.549
  133    HB2  ARG  14          2HB       ARG  14  -0.141  10.864   3.118
  134    HB3  ARG  14          3HB       ARG  14  -1.744  11.573   3.250
  135    HG2  ARG  14          2HG       ARG  14  -0.717  10.627   5.801
  136    HG3  ARG  14          3HG       ARG  14   0.306  11.855   5.053
  137    HD2  ARG  14          2HD       ARG  14  -2.644  12.278   5.139
  138    HD3  ARG  14          3HD       ARG  14  -1.701  12.530   6.607
  139    HE   ARG  14           HE       ARG  14  -0.340  13.965   4.777
  140   HH11  ARG  14          1HH1      ARG  14  -3.706  13.843   5.659
  141   HH12  ARG  14          2HH1      ARG  14  -4.006  15.502   5.257
  142   HH21  ARG  14          1HH2      ARG  14  -0.722  16.149   4.244
  143   HH22  ARG  14          2HH2      ARG  14  -2.308  16.812   4.451
  144    H    ASN  15           H        ASN  15  -1.432   7.458   2.255
  145    HA   ASN  15           HA       ASN  15  -2.757   8.551  -0.053
  146    HB2  ASN  15          2HB       ASN  15  -0.853   7.030  -0.316
  147    HB3  ASN  15          3HB       ASN  15  -1.750   5.750   0.495
  148   HD21  ASN  15          1HD2      ASN  15  -2.337   8.063  -2.137
  149   HD22  ASN  15          2HD2      ASN  15  -2.976   6.899  -3.242
  150    H    LEU  16           H        LEU  16  -3.865   7.246   2.776
  151    HA   LEU  16           HA       LEU  16  -6.239   6.050   1.524
  152    HB2  LEU  16          2HB       LEU  16  -6.682   5.044   3.702
  153    HB3  LEU  16          3HB       LEU  16  -5.088   4.605   3.091
  154    HG   LEU  16           HG       LEU  16  -4.516   6.771   4.658
  155   HD11  LEU  16          1HD1      LEU  16  -6.748   6.951   5.535
  156   HD12  LEU  16          2HD1      LEU  16  -5.678   6.350   6.801
  157   HD13  LEU  16          3HD1      LEU  16  -6.760   5.239   5.962
  158   HD21  LEU  16          1HD2      LEU  16  -3.182   4.835   4.722
  159   HD22  LEU  16          2HD2      LEU  16  -4.531   3.821   5.235
  160   HD23  LEU  16          3HD2      LEU  16  -3.839   5.001   6.350
  161    H    VAL  17           H        VAL  17  -5.147   8.568   3.696
  162    HA   VAL  17           HA       VAL  17  -7.635   9.365   4.728
  163    HB   VAL  17           HB       VAL  17  -5.234  11.120   4.197
  164   HG11  VAL  17          1HG1      VAL  17  -7.549  11.428   6.106
  165   HG12  VAL  17          2HG1      VAL  17  -6.134  12.481   6.038
  166   HG13  VAL  17          3HG1      VAL  17  -7.242  12.399   4.667
  167   HG21  VAL  17          1HG2      VAL  17  -5.496   8.892   5.919
  168   HG22  VAL  17          2HG2      VAL  17  -4.158  10.036   5.809
  169   HG23  VAL  17          3HG2      VAL  17  -5.489  10.340   6.926
  Start of MODEL   16
    1    H1   GLU   1           H        GLU   1   1.900   0.644   0.493
    2    HA   GLU   1           HA       GLU   1   3.471  -0.875  -1.313
    3    HB2  GLU   1          2HB       GLU   1   2.168   1.834  -1.631
    4    HB3  GLU   1          3HB       GLU   1   2.896   0.921  -2.945
    5    HG2  GLU   1          2HG       GLU   1   1.193  -0.916  -1.900
    6    HG3  GLU   1          3HG       GLU   1   0.310   0.583  -1.617
    7    H    PHE   2           H        PHE   2   3.761   2.638  -0.903
    8    HA   PHE   2           HA       PHE   2   5.566   4.014  -0.728
    9    HB2  PHE   2          2HB       PHE   2   6.144   2.450   1.174
   10    HB3  PHE   2          3HB       PHE   2   7.173   1.576   0.044
   11    HD1  PHE   2           HD1      PHE   2   9.335   1.954   0.781
   12    HD2  PHE   2           HD2      PHE   2   6.649   5.236   0.426
   13    HE1  PHE   2           HE1      PHE   2  11.180   3.511   1.257
   14    HE2  PHE   2           HE2      PHE   2   8.489   6.798   0.901
   15    HZ   PHE   2           HZ       PHE   2  10.759   5.936   1.317
   16    H    LYS   3           H        LYS   3   5.103   1.845  -3.013
   17    HA   LYS   3           HA       LYS   3   7.548   2.579  -4.486
   18    HB2  LYS   3          2HB       LYS   3   7.787   0.471  -5.345
   19    HB3  LYS   3          3HB       LYS   3   7.068   0.066  -3.791
   20    HG2  LYS   3          2HG       LYS   3   5.581   0.319  -6.398
   21    HG3  LYS   3          3HG       LYS   3   6.055  -1.193  -5.619
   22    HD2  LYS   3          2HD       LYS   3   4.736   0.032  -3.594
   23    HD3  LYS   3          3HD       LYS   3   3.854   0.660  -4.989
   24    HE2  LYS   3          2HE       LYS   3   4.411  -2.267  -4.540
   25    HE3  LYS   3          3HE       LYS   3   2.937  -1.462  -4.006
   26    HZ1  LYS   3          1HZ       LYS   3   2.818  -2.626  -6.211
   27    HZ2  LYS   3          2HZ       LYS   3   3.843  -1.429  -6.826
   28    HZ3  LYS   3          3HZ       LYS   3   2.321  -1.009  -6.218
   29    H    ARG   4           H        ARG   4   4.246   2.915  -4.275
   30    HA   ARG   4           HA       ARG   4   3.945   3.361  -7.167
   31    HB2  ARG   4          2HB       ARG   4   2.170   2.332  -5.089
   32    HB3  ARG   4          3HB       ARG   4   1.425   3.602  -6.051
   33    HG2  ARG   4          2HG       ARG   4   2.393   2.177  -8.048
   34    HG3  ARG   4          3HG       ARG   4   2.309   0.885  -6.849
   35    HD2  ARG   4          2HD       ARG   4   0.114   0.708  -7.138
   36    HD3  ARG   4          3HD       ARG   4  -0.104   2.418  -6.767
   37    HE   ARG   4           HE       ARG   4   0.763   2.377  -9.357
   38   HH11  ARG   4          1HH1      ARG   4  -1.879   0.931  -7.612
   39   HH12  ARG   4          2HH1      ARG   4  -2.945   0.916  -8.978
   40   HH21  ARG   4          1HH2      ARG   4  -0.631   2.364 -11.163
   41   HH22  ARG   4          2HH2      ARG   4  -2.233   1.731 -10.998
   42    H    ILE   5           H        ILE   5   5.021   5.398  -7.090
   43    HA   ILE   5           HA       ILE   5   5.108   7.670  -7.002
   44    HB   ILE   5           HB       ILE   5   2.181   7.743  -6.350
   45   HG12  ILE   5          2HG1      ILE   5   2.316   6.066  -8.069
   46   HG13  ILE   5          3HG1      ILE   5   1.762   7.560  -8.816
   47   HG21  ILE   5          1HG2      ILE   5   4.174   9.516  -7.659
   48   HG22  ILE   5          2HG2      ILE   5   2.499   9.599  -8.200
   49   HG23  ILE   5          3HG2      ILE   5   2.895   9.906  -6.510
   50   HD11  ILE   5          1HD1      ILE   5   4.563   6.467  -8.906
   51   HD12  ILE   5          2HD1      ILE   5   3.383   6.438 -10.218
   52   HD13  ILE   5          3HD1      ILE   5   4.024   7.976  -9.641
   53    H    VAL   6           H        VAL   6   5.042   5.912  -4.468
   54    HA   VAL   6           HA       VAL   6   4.654   8.131  -2.564
   55    HB   VAL   6           HB       VAL   6   4.468   5.216  -1.827
   56   HG11  VAL   6          1HG1      VAL   6   4.161   7.795  -0.440
   57   HG12  VAL   6          2HG1      VAL   6   2.944   6.575  -0.061
   58   HG13  VAL   6          3HG1      VAL   6   4.655   6.221   0.182
   59   HG21  VAL   6          1HG2      VAL   6   2.522   6.891  -3.212
   60   HG22  VAL   6          2HG2      VAL   6   2.557   5.142  -2.990
   61   HG23  VAL   6          3HG2      VAL   6   1.899   6.178  -1.723
   62    H    GLN   7           H        GLN   7   6.985   6.644  -4.151
   63    HA   GLN   7           HA       GLN   7   8.769   5.774  -2.120
   64    HB2  GLN   7          2HB       GLN   7   9.663   6.802  -4.797
   65    HB3  GLN   7          3HB       GLN   7  10.364   5.518  -3.821
   66    HG2  GLN   7          2HG       GLN   7   7.875   4.536  -4.299
   67    HG3  GLN   7          3HG       GLN   7   8.199   5.426  -5.785
   68   HE21  GLN   7          1HE2      GLN   7  10.070   3.380  -3.563
   69   HE22  GLN   7          2HE2      GLN   7  10.744   2.369  -4.791
   70    H    ARG   8           H        ARG   8   7.891   8.865  -3.341
   71    HA   ARG   8           HA       ARG   8  10.250  10.295  -2.720
   72    HB2  ARG   8          2HB       ARG   8   7.491  11.489  -2.618
   73    HB3  ARG   8          3HB       ARG   8   9.000  12.253  -3.100
   74    HG2  ARG   8          2HG       ARG   8   9.019  10.653  -5.065
   75    HG3  ARG   8          3HG       ARG   8   7.353  10.266  -4.631
   76    HD2  ARG   8          2HD       ARG   8   7.346  13.005  -4.619
   77    HD3  ARG   8          3HD       ARG   8   8.458  12.636  -5.938
   78    HE   ARG   8           HE       ARG   8   6.144  11.054  -6.188
   79   HH11  ARG   8          1HH1      ARG   8   7.207  14.353  -6.504
   80   HH12  ARG   8          2HH1      ARG   8   6.013  14.761  -7.692
   81   HH21  ARG   8          1HH2      ARG   8   4.567  11.578  -7.751
   82   HH22  ARG   8          2HH2      ARG   8   4.512  13.182  -8.400
   83    H    ILE   9           H        ILE   9   7.718   9.021  -0.778
   84    HA   ILE   9           HA       ILE   9   7.569   8.857   1.504
   85    HB   ILE   9           HB       ILE   9  10.211   9.638   1.192
   86   HG12  ILE   9          2HG1      ILE   9   9.448   7.817   2.604
   87   HG13  ILE   9          3HG1      ILE   9  10.428   8.922   3.561
   88   HG21  ILE   9          1HG2      ILE   9   9.405  11.970   1.693
   89   HG22  ILE   9          2HG2      ILE   9   8.999  11.397   3.309
   90   HG23  ILE   9          3HG2      ILE   9  10.673  11.360   2.756
   91   HD11  ILE   9          1HD1      ILE   9   8.547   9.788   4.669
   92   HD12  ILE   9          2HD1      ILE   9   7.433   9.058   3.513
   93   HD13  ILE   9          3HD1      ILE   9   8.327   8.039   4.641
   94    H    LYS  10           H        LYS  10   7.329  11.651  -0.324
   95    HA   LYS  10           HA       LYS  10   6.745  13.697   1.413
   96    HB2  LYS  10          2HB       LYS  10   5.420  14.676  -0.332
   97    HB3  LYS  10          3HB       LYS  10   6.776  13.844  -1.081
   98    HG2  LYS  10          2HG       LYS  10   4.902  11.890  -1.103
   99    HG3  LYS  10          3HG       LYS  10   3.897  13.329  -1.284
  100    HD2  LYS  10          2HD       LYS  10   6.300  13.349  -2.952
  101    HD3  LYS  10          3HD       LYS  10   5.191  12.026  -3.318
  102    HE2  LYS  10          2HE       LYS  10   4.758  14.081  -4.640
  103    HE3  LYS  10          3HE       LYS  10   3.381  13.565  -3.668
  104    HZ1  LYS  10          1HZ       LYS  10   5.298  15.692  -2.883
  105    HZ2  LYS  10          2HZ       LYS  10   3.899  15.242  -2.047
  106    HZ3  LYS  10          3HZ       LYS  10   3.776  15.972  -3.568
  107    H    ASP  11           H        ASP  11   4.780  10.914   0.592
  108    HA   ASP  11           HA       ASP  11   2.724  11.859   2.479
  109    HB2  ASP  11          2HB       ASP  11   2.538  10.208  -0.020
  110    HB3  ASP  11          3HB       ASP  11   1.309  10.058   1.233
  111    H    PHE  12           H        PHE  12   3.436   8.645   1.155
  112    HA   PHE  12           HA       PHE  12   4.013   6.677   2.155
  113    HB2  PHE  12          2HB       PHE  12   5.570   8.361   3.475
  114    HB3  PHE  12          3HB       PHE  12   4.477   7.982   4.802
  115    HD1  PHE  12           HD1      PHE  12   4.190   5.565   5.472
  116    HD2  PHE  12           HD2      PHE  12   7.284   6.894   2.868
  117    HE1  PHE  12           HE1      PHE  12   5.452   3.502   5.924
  118    HE2  PHE  12           HE2      PHE  12   8.550   4.833   3.315
  119    HZ   PHE  12           HZ       PHE  12   7.634   3.133   4.843
  120    H    LEU  13           H        LEU  13   2.619   8.534   4.860
  121    HA   LEU  13           HA       LEU  13   0.646   6.391   5.214
  122    HB2  LEU  13          2HB       LEU  13   1.166   8.633   7.138
  123    HB3  LEU  13          3HB       LEU  13   0.423   7.066   7.452
  124    HG   LEU  13           HG       LEU  13   3.316   7.326   6.681
  125   HD11  LEU  13          1HD1      LEU  13   2.728   8.693   8.728
  126   HD12  LEU  13          2HD1      LEU  13   3.952   7.443   8.947
  127   HD13  LEU  13          3HD1      LEU  13   2.302   7.169   9.506
  128   HD21  LEU  13          1HD2      LEU  13   3.527   5.141   7.521
  129   HD22  LEU  13          2HD2      LEU  13   2.043   5.127   6.567
  130   HD23  LEU  13          3HD2      LEU  13   1.960   5.209   8.328
  131    H    ARG  14           H        ARG  14   0.950   9.497   3.964
  132    HA   ARG  14           HA       ARG  14  -1.773  10.319   4.552
  133    HB2  ARG  14          2HB       ARG  14   0.537  11.583   3.104
  134    HB3  ARG  14          3HB       ARG  14  -1.086  12.247   2.967
  135    HG2  ARG  14          2HG       ARG  14  -0.278  13.495   4.694
  136    HG3  ARG  14          3HG       ARG  14  -0.994  12.154   5.591
  137    HD2  ARG  14          2HD       ARG  14   1.369  11.088   5.342
  138    HD3  ARG  14          3HD       ARG  14   1.883  12.747   5.039
  139    HE   ARG  14           HE       ARG  14   1.049  11.619   7.552
  140   HH11  ARG  14          1HH1      ARG  14   1.438  14.541   5.699
  141   HH12  ARG  14          2HH1      ARG  14   1.551  15.564   7.093
  142   HH21  ARG  14          1HH2      ARG  14   1.195  12.955   9.394
  143   HH22  ARG  14          2HH2      ARG  14   1.413  14.661   9.194
  144    H    ASN  15           H        ASN  15  -0.654   8.061   2.612
  145    HA   ASN  15           HA       ASN  15  -1.863   8.786   0.105
  146    HB2  ASN  15          2HB       ASN  15   0.124   7.157   0.546
  147    HB3  ASN  15          3HB       ASN  15  -1.140   5.972   0.861
  148   HD21  ASN  15          1HD2      ASN  15  -1.019   4.682  -0.860
  149   HD22  ASN  15          2HD2      ASN  15  -1.179   5.199  -2.501
  150    H    LEU  16           H        LEU  16  -3.114   7.866   3.021
  151    HA   LEU  16           HA       LEU  16  -5.068   5.967   2.375
  152    HB2  LEU  16          2HB       LEU  16  -4.530   7.829   4.559
  153    HB3  LEU  16          3HB       LEU  16  -6.246   7.506   4.318
  154    HG   LEU  16           HG       LEU  16  -5.187   4.986   4.295
  155   HD11  LEU  16          1HD1      LEU  16  -3.467   6.752   5.973
  156   HD12  LEU  16          2HD1      LEU  16  -3.024   5.374   4.965
  157   HD13  LEU  16          3HD1      LEU  16  -3.822   5.111   6.516
  158   HD21  LEU  16          1HD2      LEU  16  -7.175   5.562   5.477
  159   HD22  LEU  16          2HD2      LEU  16  -6.289   6.625   6.570
  160   HD23  LEU  16          3HD2      LEU  16  -6.044   4.880   6.646
  161    H    VAL  17           H        VAL  17  -6.730   6.098   1.034
  162    HA   VAL  17           HA       VAL  17  -8.330   6.943  -0.356
  163    HB   VAL  17           HB       VAL  17  -8.708   8.853   1.955
  164   HG11  VAL  17          1HG1      VAL  17 -11.151   8.564   0.801
  165   HG12  VAL  17          2HG1      VAL  17 -10.051   9.910   0.497
  166   HG13  VAL  17          3HG1      VAL  17 -10.096   8.539  -0.611
  167   HG21  VAL  17          1HG2      VAL  17 -10.414   7.320   2.713
  168   HG22  VAL  17          2HG2      VAL  17 -10.148   6.280   1.313
  169   HG23  VAL  17          3HG2      VAL  17  -8.888   6.454   2.535
  Start of MODEL   17
    1    H1   GLU   1           H        GLU   1   1.425   2.149  -0.807
    2    HA   GLU   1           HA       GLU   1   2.761  -0.375  -0.394
    3    HB2  GLU   1          2HB       GLU   1   2.500   1.102  -3.008
    4    HB3  GLU   1          3HB       GLU   1   2.706  -0.625  -2.756
    5    HG2  GLU   1          2HG       GLU   1   0.456  -0.633  -1.650
    6    HG3  GLU   1          3HG       GLU   1   0.263   1.032  -2.196
    7    H    PHE   2           H        PHE   2   3.639   2.915  -1.209
    8    HA   PHE   2           HA       PHE   2   5.650   3.980  -1.246
    9    HB2  PHE   2          2HB       PHE   2   6.018   2.442   0.795
   10    HB3  PHE   2          3HB       PHE   2   6.987   1.456  -0.297
   11    HD1  PHE   2           HD1      PHE   2   9.188   2.059  -0.848
   12    HD2  PHE   2           HD2      PHE   2   6.682   4.820   1.203
   13    HE1  PHE   2           HE1      PHE   2  11.131   3.513  -0.438
   14    HE2  PHE   2           HE2      PHE   2   8.620   6.279   1.616
   15    HZ   PHE   2           HZ       PHE   2  10.848   5.626   0.794
   16    H    LYS   3           H        LYS   3   4.705   1.747  -3.270
   17    HA   LYS   3           HA       LYS   3   7.195   1.790  -4.847
   18    HB2  LYS   3          2HB       LYS   3   6.366  -0.311  -5.922
   19    HB3  LYS   3          3HB       LYS   3   6.762  -0.483  -4.217
   20    HG2  LYS   3          2HG       LYS   3   4.760  -1.376  -3.916
   21    HG3  LYS   3          3HG       LYS   3   4.058   0.203  -4.275
   22    HD2  LYS   3          2HD       LYS   3   3.447  -0.399  -6.376
   23    HD3  LYS   3          3HD       LYS   3   4.849  -1.448  -6.598
   24    HE2  LYS   3          2HE       LYS   3   3.188  -2.533  -4.546
   25    HE3  LYS   3          3HE       LYS   3   2.193  -2.177  -5.956
   26    HZ1  LYS   3          1HZ       LYS   3   4.718  -3.485  -6.516
   27    HZ2  LYS   3          2HZ       LYS   3   3.182  -3.773  -7.162
   28    HZ3  LYS   3          3HZ       LYS   3   3.601  -4.421  -5.657
   29    H    ARG   4           H        ARG   4   4.061   2.899  -4.621
   30    HA   ARG   4           HA       ARG   4   3.794   3.197  -7.536
   31    HB2  ARG   4          2HB       ARG   4   1.415   3.735  -7.062
   32    HB3  ARG   4          3HB       ARG   4   1.877   2.118  -6.547
   33    HG2  ARG   4          2HG       ARG   4   1.467   2.553  -4.390
   34    HG3  ARG   4          3HG       ARG   4   2.164   4.171  -4.480
   35    HD2  ARG   4          2HD       ARG   4  -0.488   3.538  -5.730
   36    HD3  ARG   4          3HD       ARG   4  -0.356   3.949  -4.020
   37    HE   ARG   4           HE       ARG   4   0.985   5.893  -5.544
   38   HH11  ARG   4          1HH1      ARG   4  -2.237   4.762  -4.863
   39   HH12  ARG   4          2HH1      ARG   4  -2.977   6.304  -5.139
   40   HH21  ARG   4          1HH2      ARG   4   0.022   7.928  -5.911
   41   HH22  ARG   4          2HH2      ARG   4  -1.692   8.103  -5.736
   42    H    ILE   5           H        ILE   5   5.572   4.873  -7.052
   43    HA   ILE   5           HA       ILE   5   6.194   7.062  -7.086
   44    HB   ILE   5           HB       ILE   5   3.311   7.892  -7.143
   45   HG12  ILE   5          2HG1      ILE   5   4.082   7.621  -9.795
   46   HG13  ILE   5          3HG1      ILE   5   4.688   6.153  -9.038
   47   HG21  ILE   5          1HG2      ILE   5   5.927   9.016  -7.975
   48   HG22  ILE   5          2HG2      ILE   5   4.512   9.423  -8.945
   49   HG23  ILE   5          3HG2      ILE   5   4.540   9.806  -7.224
   50   HD11  ILE   5          1HD1      ILE   5   2.068   6.729  -9.886
   51   HD12  ILE   5          2HD1      ILE   5   2.661   5.280  -9.074
   52   HD13  ILE   5          3HD1      ILE   5   2.034   6.628  -8.126
   53    H    VAL   6           H        VAL   6   5.014   5.615  -4.582
   54    HA   VAL   6           HA       VAL   6   4.557   7.983  -2.912
   55    HB   VAL   6           HB       VAL   6   4.182   5.061  -2.239
   56   HG11  VAL   6          1HG1      VAL   6   4.105   7.525  -0.640
   57   HG12  VAL   6          2HG1      VAL   6   2.728   6.443  -0.419
   58   HG13  VAL   6          3HG1      VAL   6   4.368   5.854  -0.142
   59   HG21  VAL   6          1HG2      VAL   6   2.631   6.420  -3.928
   60   HG22  VAL   6          2HG2      VAL   6   1.985   5.229  -2.799
   61   HG23  VAL   6          3HG2      VAL   6   1.904   6.947  -2.410
   62    H    GLN   7           H        GLN   7   6.998   5.846  -3.797
   63    HA   GLN   7           HA       GLN   7   8.437   5.368  -1.491
   64    HB2  GLN   7          2HB       GLN   7  10.477   5.501  -3.032
   65    HB3  GLN   7          3HB       GLN   7   9.224   4.339  -3.450
   66    HG2  GLN   7          2HG       GLN   7   8.551   5.514  -5.294
   67    HG3  GLN   7          3HG       GLN   7   9.111   7.057  -4.651
   68   HE21  GLN   7          1HE2      GLN   7  11.239   7.657  -4.919
   69   HE22  GLN   7          2HE2      GLN   7  12.315   6.832  -5.989
   70    H    ARG   8           H        ARG   8   7.979   8.346  -3.205
   71    HA   ARG   8           HA       ARG   8  10.177   9.816  -2.323
   72    HB2  ARG   8          2HB       ARG   8   7.426  10.999  -2.624
   73    HB3  ARG   8          3HB       ARG   8   8.981  11.755  -2.946
   74    HG2  ARG   8          2HG       ARG   8   9.265  10.062  -4.806
   75    HG3  ARG   8          3HG       ARG   8   7.561   9.667  -4.569
   76    HD2  ARG   8          2HD       ARG   8   6.886  11.509  -5.635
   77    HD3  ARG   8          3HD       ARG   8   8.026  12.529  -4.758
   78    HE   ARG   8           HE       ARG   8   9.500  11.104  -6.620
   79   HH11  ARG   8          1HH1      ARG   8   6.922  13.443  -6.620
   80   HH12  ARG   8          2HH1      ARG   8   7.368  14.128  -8.148
   81   HH21  ARG   8          1HH2      ARG   8  10.097  11.997  -8.632
   82   HH22  ARG   8          2HH2      ARG   8   9.174  13.304  -9.292
   83    H    ILE   9           H        ILE   9   7.439   8.668  -0.598
   84    HA   ILE   9           HA       ILE   9   7.040   8.649   1.660
   85    HB   ILE   9           HB       ILE   9   9.699   9.430   1.593
   86   HG12  ILE   9          2HG1      ILE   9   8.806   7.702   3.032
   87   HG13  ILE   9          3HG1      ILE   9   9.639   8.892   4.026
   88   HG21  ILE   9          1HG2      ILE   9   8.840  11.784   1.841
   89   HG22  ILE   9          2HG2      ILE   9   8.256  11.318   3.438
   90   HG23  ILE   9          3HG2      ILE   9   9.981  11.257   3.079
   91   HD11  ILE   9          1HD1      ILE   9   6.664   8.841   3.604
   92   HD12  ILE   9          2HD1      ILE   9   7.491   8.089   4.968
   93   HD13  ILE   9          3HD1      ILE   9   7.570   9.836   4.743
   94    H    LYS  10           H        LYS  10   7.000  11.315  -0.364
   95    HA   LYS  10           HA       LYS  10   6.221  13.464   1.159
   96    HB2  LYS  10          2HB       LYS  10   5.077  14.306  -0.787
   97    HB3  LYS  10          3HB       LYS  10   6.537  13.475  -1.310
   98    HG2  LYS  10          2HG       LYS  10   4.685  11.475  -1.413
   99    HG3  LYS  10          3HG       LYS  10   3.732  12.887  -1.873
  100    HD2  LYS  10          2HD       LYS  10   6.385  12.672  -3.138
  101    HD3  LYS  10          3HD       LYS  10   5.217  11.433  -3.602
  102    HE2  LYS  10          2HE       LYS  10   4.859  13.127  -5.157
  103    HE3  LYS  10          3HE       LYS  10   3.594  13.396  -3.958
  104    HZ1  LYS  10          1HZ       LYS  10   5.965  14.998  -4.551
  105    HZ2  LYS  10          2HZ       LYS  10   5.455  14.935  -2.939
  106    HZ3  LYS  10          3HZ       LYS  10   4.400  15.494  -4.138
  107    H    ASP  11           H        ASP  11   4.382  10.605   0.331
  108    HA   ASP  11           HA       ASP  11   2.145  11.635   1.952
  109    HB2  ASP  11          2HB       ASP  11   2.127   9.835  -0.468
  110    HB3  ASP  11          3HB       ASP  11   0.750   9.959   0.623
  111    H    PHE  12           H        PHE  12   2.878   8.386   0.739
  112    HA   PHE  12           HA       PHE  12   3.309   6.418   1.807
  113    HB2  PHE  12          2HB       PHE  12   4.820   8.076   3.213
  114    HB3  PHE  12          3HB       PHE  12   3.624   7.747   4.463
  115    HD1  PHE  12           HD1      PHE  12   6.665   6.722   3.090
  116    HD2  PHE  12           HD2      PHE  12   3.082   5.180   4.793
  117    HE1  PHE  12           HE1      PHE  12   7.835   4.631   3.650
  118    HE2  PHE  12           HE2      PHE  12   4.247   3.087   5.356
  119    HZ   PHE  12           HZ       PHE  12   6.626   2.811   4.785
  120    H    LEU  13           H        LEU  13   1.789   8.365   4.377
  121    HA   LEU  13           HA       LEU  13  -0.280   6.297   4.613
  122    HB2  LEU  13          2HB       LEU  13   0.138   8.538   6.554
  123    HB3  LEU  13          3HB       LEU  13  -0.610   6.966   6.824
  124    HG   LEU  13           HG       LEU  13   2.333   7.320   6.291
  125   HD11  LEU  13          1HD1      LEU  13   1.540   8.527   8.350
  126   HD12  LEU  13          2HD1      LEU  13   2.739   7.265   8.624
  127   HD13  LEU  13          3HD1      LEU  13   1.040   6.959   8.983
  128   HD21  LEU  13          1HD2      LEU  13   1.230   5.093   5.888
  129   HD22  LEU  13          2HD2      LEU  13   0.864   5.049   7.613
  130   HD23  LEU  13          3HD2      LEU  13   2.541   5.088   7.067
  131    H    ARG  14           H        ARG  14   0.214   9.321   3.283
  132    HA   ARG  14           HA       ARG  14  -2.420  10.395   3.760
  133    HB2  ARG  14          2HB       ARG  14  -0.293  11.283   1.802
  134    HB3  ARG  14          3HB       ARG  14  -1.732  12.190   2.246
  135    HG2  ARG  14          2HG       ARG  14   0.128  11.361   4.408
  136    HG3  ARG  14          3HG       ARG  14   0.607  12.684   3.343
  137    HD2  ARG  14          2HD       ARG  14  -1.087  14.057   4.063
  138    HD3  ARG  14          3HD       ARG  14  -2.127  12.710   4.523
  139    HE   ARG  14           HE       ARG  14   0.122  12.720   6.194
  140   HH11  ARG  14          1HH1      ARG  14  -2.724  14.616   5.543
  141   HH12  ARG  14          2HH1      ARG  14  -2.839  15.237   7.156
  142   HH21  ARG  14          1HH2      ARG  14  -0.018  13.532   8.321
  143   HH22  ARG  14          2HH2      ARG  14  -1.298  14.621   8.735
  144    H    ASN  15           H        ASN  15  -1.243   7.988   1.811
  145    HA   ASN  15           HA       ASN  15  -3.194   8.490  -0.327
  146    HB2  ASN  15          2HB       ASN  15  -0.640   6.961  -0.169
  147    HB3  ASN  15          3HB       ASN  15  -1.882   6.370  -1.270
  148   HD21  ASN  15          1HD2      ASN  15  -0.118   6.883  -2.813
  149   HD22  ASN  15          2HD2      ASN  15  -0.062   8.483  -3.464
  150    H    LEU  16           H        LEU  16  -3.259   7.134   2.559
  151    HA   LEU  16           HA       LEU  16  -4.630   4.669   1.759
  152    HB2  LEU  16          2HB       LEU  16  -4.130   5.457   4.597
  153    HB3  LEU  16          3HB       LEU  16  -4.270   3.847   3.893
  154    HG   LEU  16           HG       LEU  16  -1.917   5.706   3.549
  155   HD11  LEU  16          1HD1      LEU  16  -2.313   3.277   5.287
  156   HD12  LEU  16          2HD1      LEU  16  -1.998   4.930   5.814
  157   HD13  LEU  16          3HD1      LEU  16  -0.750   4.025   4.958
  158   HD21  LEU  16          1HD2      LEU  16  -1.373   2.971   2.965
  159   HD22  LEU  16          2HD2      LEU  16  -1.254   4.375   1.904
  160   HD23  LEU  16          3HD2      LEU  16  -2.773   3.485   2.024
  161    H    VAL  17           H        VAL  17  -5.130   7.737   3.388
  162    HA   VAL  17           HA       VAL  17  -8.019   7.152   3.471
  163    HB   VAL  17           HB       VAL  17  -7.030   7.312   5.737
  164   HG11  VAL  17          1HG1      VAL  17  -5.692   8.976   6.406
  165   HG12  VAL  17          2HG1      VAL  17  -5.508   9.330   4.687
  166   HG13  VAL  17          3HG1      VAL  17  -6.695  10.212   5.648
  167   HG21  VAL  17          1HG2      VAL  17  -8.639   8.976   6.614
  168   HG22  VAL  17          2HG2      VAL  17  -8.934   9.521   4.963
  169   HG23  VAL  17          3HG2      VAL  17  -9.358   7.877   5.438
  Start of MODEL   18
    1    H1   GLU   1           H        GLU   1   1.446  -0.172  -0.581
    2    HA   GLU   1           HA       GLU   1   3.426  -1.705  -1.549
    3    HB2  GLU   1          2HB       GLU   1   3.402  -0.242  -3.621
    4    HB3  GLU   1          3HB       GLU   1   1.842  -0.849  -3.085
    5    HG2  GLU   1          2HG       GLU   1   2.012   1.542  -1.773
    6    HG3  GLU   1          3HG       GLU   1   2.819   1.889  -3.301
    7    H    PHE   2           H        PHE   2   3.759   1.795  -0.992
    8    HA   PHE   2           HA       PHE   2   5.577   3.102  -0.591
    9    HB2  PHE   2          2HB       PHE   2   6.080   1.448   1.165
   10    HB3  PHE   2          3HB       PHE   2   6.961   0.475  -0.008
   11    HD1  PHE   2           HD1      PHE   2   7.044   4.159   0.250
   12    HD2  PHE   2           HD2      PHE   2   9.099   0.502   0.972
   13    HE1  PHE   2           HE1      PHE   2   9.097   5.417   0.756
   14    HE2  PHE   2           HE2      PHE   2  11.155   1.754   1.480
   15    HZ   PHE   2           HZ       PHE   2  11.156   4.215   1.373
   16    H    LYS   3           H        LYS   3   5.167   1.331  -3.178
   17    HA   LYS   3           HA       LYS   3   7.724   2.129  -4.406
   18    HB2  LYS   3          2HB       LYS   3   7.599   0.228  -5.883
   19    HB3  LYS   3          3HB       LYS   3   7.464  -0.338  -4.223
   20    HG2  LYS   3          2HG       LYS   3   4.851   0.188  -5.239
   21    HG3  LYS   3          3HG       LYS   3   5.726  -0.833  -6.382
   22    HD2  LYS   3          2HD       LYS   3   6.387  -2.199  -4.285
   23    HD3  LYS   3          3HD       LYS   3   5.038  -1.362  -3.514
   24    HE2  LYS   3          2HE       LYS   3   4.859  -2.987  -6.049
   25    HE3  LYS   3          3HE       LYS   3   4.398  -3.556  -4.445
   26    HZ1  LYS   3          1HZ       LYS   3   2.633  -2.558  -6.063
   27    HZ2  LYS   3          2HZ       LYS   3   3.197  -1.081  -5.461
   28    HZ3  LYS   3          3HZ       LYS   3   2.553  -2.234  -4.404
   29    H    ARG   4           H        ARG   4   4.352   2.430  -4.391
   30    HA   ARG   4           HA       ARG   4   4.179   3.280  -7.172
   31    HB2  ARG   4          2HB       ARG   4   2.323   2.325  -5.176
   32    HB3  ARG   4          3HB       ARG   4   1.755   3.838  -5.869
   33    HG2  ARG   4          2HG       ARG   4   2.413   2.587  -8.124
   34    HG3  ARG   4          3HG       ARG   4   2.074   1.178  -7.117
   35    HD2  ARG   4          2HD       ARG   4  -0.123   1.527  -7.231
   36    HD3  ARG   4          3HD       ARG   4   0.060   3.223  -6.783
   37    HE   ARG   4           HE       ARG   4   0.795   2.767  -9.495
   38   HH11  ARG   4          1HH1      ARG   4  -1.938   3.154  -7.373
   39   HH12  ARG   4          2HH1      ARG   4  -2.985   3.749  -8.618
   40   HH21  ARG   4          1HH2      ARG   4  -0.574   3.550 -11.143
   41   HH22  ARG   4          2HH2      ARG   4  -2.209   3.974 -10.762
   42    H    ILE   5           H        ILE   5   5.587   5.111  -6.971
   43    HA   ILE   5           HA       ILE   5   6.050   7.326  -6.724
   44    HB   ILE   5           HB       ILE   5   3.142   7.844  -6.198
   45   HG12  ILE   5          2HG1      ILE   5   3.378   7.983  -8.931
   46   HG13  ILE   5          3HG1      ILE   5   4.341   6.559  -8.551
   47   HG21  ILE   5          1HG2      ILE   5   5.464   9.330  -7.301
   48   HG22  ILE   5          2HG2      ILE   5   3.863   9.703  -7.938
   49   HG23  ILE   5          3HG2      ILE   5   4.186   9.871  -6.212
   50   HD11  ILE   5          1HD1      ILE   5   2.467   5.394  -8.486
   51   HD12  ILE   5          2HD1      ILE   5   1.992   6.312  -7.056
   52   HD13  ILE   5          3HD1      ILE   5   1.498   6.858  -8.659
   53    H    VAL   6           H        VAL   6   5.602   5.488  -4.300
   54    HA   VAL   6           HA       VAL   6   5.023   7.470  -2.233
   55    HB   VAL   6           HB       VAL   6   5.712   4.564  -1.816
   56   HG11  VAL   6          1HG1      VAL   6   4.338   4.962   0.267
   57   HG12  VAL   6          2HG1      VAL   6   5.899   5.783   0.205
   58   HG13  VAL   6          3HG1      VAL   6   4.415   6.681  -0.116
   59   HG21  VAL   6          1HG2      VAL   6   3.828   4.228  -3.042
   60   HG22  VAL   6          2HG2      VAL   6   3.067   4.569  -1.488
   61   HG23  VAL   6          3HG2      VAL   6   3.188   5.837  -2.707
   62    H    GLN   7           H        GLN   7   7.669   6.349  -3.928
   63    HA   GLN   7           HA       GLN   7   9.673   6.073  -2.019
   64    HB2  GLN   7          2HB       GLN   7  11.204   6.886  -3.886
   65    HB3  GLN   7          3HB       GLN   7  10.212   5.477  -4.236
   66    HG2  GLN   7          2HG       GLN   7   8.875   6.608  -5.712
   67    HG3  GLN   7          3HG       GLN   7   9.189   8.173  -4.964
   68   HE21  GLN   7          1HE2      GLN   7  10.736   5.603  -6.831
   69   HE22  GLN   7          2HE2      GLN   7  11.809   6.640  -7.703
   70    H    ARG   8           H        ARG   8   8.060   8.913  -3.184
   71    HA   ARG   8           HA       ARG   8  10.037  10.739  -2.128
   72    HB2  ARG   8          2HB       ARG   8   8.942  11.542  -4.053
   73    HB3  ARG   8          3HB       ARG   8   7.356  11.084  -3.446
   74    HG2  ARG   8          2HG       ARG   8   7.325  12.873  -1.902
   75    HG3  ARG   8          3HG       ARG   8   9.037  13.214  -2.158
   76    HD2  ARG   8          2HD       ARG   8   8.231  13.539  -4.654
   77    HD3  ARG   8          3HD       ARG   8   6.688  13.861  -3.864
   78    HE   ARG   8           HE       ARG   8   7.535  15.845  -3.073
   79   HH11  ARG   8          1HH1      ARG   8  10.123  13.890  -4.338
   80   HH12  ARG   8          2HH1      ARG   8  11.299  15.159  -4.251
   81   HH21  ARG   8          1HH2      ARG   8   9.074  17.524  -2.955
   82   HH22  ARG   8          2HH2      ARG   8  10.701  17.226  -3.464
   83    H    ILE   9           H        ILE   9   7.481   8.950  -0.873
   84    HA   ILE   9           HA       ILE   9   6.533   8.862   1.196
   85    HB   ILE   9           HB       ILE   9   8.306  11.153   2.024
   86   HG12  ILE   9          2HG1      ILE   9   9.743   9.500   0.985
   87   HG13  ILE   9          3HG1      ILE   9   9.942   9.417   2.732
   88   HG21  ILE   9          1HG2      ILE   9   6.578   9.197   3.384
   89   HG22  ILE   9          2HG2      ILE   9   8.148   9.478   4.135
   90   HG23  ILE   9          3HG2      ILE   9   7.046  10.828   3.863
   91   HD11  ILE   9          1HD1      ILE   9   8.612   7.436   2.848
   92   HD12  ILE   9          2HD1      ILE   9   8.186   7.566   1.141
   93   HD13  ILE   9          3HD1      ILE   9   9.848   7.212   1.611
   94    H    LYS  10           H        LYS  10   6.024  11.109  -0.963
   95    HA   LYS  10           HA       LYS  10   4.942  13.360   0.186
   96    HB2  LYS  10          2HB       LYS  10   3.493  13.520  -1.788
   97    HB3  LYS  10          3HB       LYS  10   5.132  13.059  -2.231
   98    HG2  LYS  10          2HG       LYS  10   3.997  10.626  -1.953
   99    HG3  LYS  10          3HG       LYS  10   2.611  11.575  -2.494
  100    HD2  LYS  10          2HD       LYS  10   5.288  11.494  -3.883
  101    HD3  LYS  10          3HD       LYS  10   3.881  10.537  -4.355
  102    HE2  LYS  10          2HE       LYS  10   3.028  13.219  -4.120
  103    HE3  LYS  10          3HE       LYS  10   4.537  13.236  -5.030
  104    HZ1  LYS  10          1HZ       LYS  10   2.473  11.277  -5.747
  105    HZ2  LYS  10          2HZ       LYS  10   3.638  12.017  -6.724
  106    HZ3  LYS  10          3HZ       LYS  10   2.271  12.885  -6.234
  107    H    ASP  11           H        ASP  11   3.482  10.165  -0.152
  108    HA   ASP  11           HA       ASP  11   1.294  11.064   1.607
  109    HB2  ASP  11          2HB       ASP  11   1.242   9.174  -0.738
  110    HB3  ASP  11          3HB       ASP  11  -0.011   9.144   0.501
  111    H    PHE  12           H        PHE  12   2.316   7.858   0.473
  112    HA   PHE  12           HA       PHE  12   3.023   6.000   1.584
  113    HB2  PHE  12          2HB       PHE  12   4.374   8.014   2.831
  114    HB3  PHE  12          3HB       PHE  12   3.490   7.311   4.182
  115    HD1  PHE  12           HD1      PHE  12   3.489   4.527   3.828
  116    HD2  PHE  12           HD2      PHE  12   6.545   7.299   2.781
  117    HE1  PHE  12           HE1      PHE  12   5.167   2.735   3.995
  118    HE2  PHE  12           HE2      PHE  12   8.227   5.511   2.946
  119    HZ   PHE  12           HZ       PHE  12   7.540   3.226   3.553
  120    H    LEU  13           H        LEU  13   1.615   7.923   4.233
  121    HA   LEU  13           HA       LEU  13  -0.405   5.803   4.566
  122    HB2  LEU  13          2HB       LEU  13   0.491   7.551   6.820
  123    HB3  LEU  13          3HB       LEU  13  -0.272   5.963   6.877
  124    HG   LEU  13           HG       LEU  13   2.569   6.476   6.000
  125   HD11  LEU  13          1HD1      LEU  13   1.618   5.274   8.590
  126   HD12  LEU  13          2HD1      LEU  13   2.100   6.960   8.413
  127   HD13  LEU  13          3HD1      LEU  13   3.271   5.674   8.124
  128   HD21  LEU  13          1HD2      LEU  13   2.825   4.199   5.776
  129   HD22  LEU  13          2HD2      LEU  13   1.180   4.425   5.180
  130   HD23  LEU  13          3HD2      LEU  13   1.451   3.832   6.820
  131    H    ARG  14           H        ARG  14   0.080   8.961   3.701
  132    HA   ARG  14           HA       ARG  14  -2.356  10.024   4.872
  133    HB2  ARG  14          2HB       ARG  14  -0.062  11.128   3.341
  134    HB3  ARG  14          3HB       ARG  14  -1.603  11.959   3.176
  135    HG2  ARG  14          2HG       ARG  14  -1.682  12.514   5.443
  136    HG3  ARG  14          3HG       ARG  14  -0.454  11.320   5.868
  137    HD2  ARG  14          2HD       ARG  14   1.190  12.779   5.521
  138    HD3  ARG  14          3HD       ARG  14   0.557  13.204   3.931
  139    HE   ARG  14           HE       ARG  14  -0.948  14.422   6.015
  140   HH11  ARG  14          1HH1      ARG  14   2.027  14.661   4.224
  141   HH12  ARG  14          2HH1      ARG  14   2.184  16.370   4.461
  142   HH21  ARG  14          1HH2      ARG  14  -0.753  16.672   6.334
  143   HH22  ARG  14          2HH2      ARG  14   0.603  17.513   5.662
  144    H    ASN  15           H        ASN  15  -1.909   7.908   2.532
  145    HA   ASN  15           HA       ASN  15  -3.547   9.104   0.460
  146    HB2  ASN  15          2HB       ASN  15  -1.564   7.315   0.292
  147    HB3  ASN  15          3HB       ASN  15  -2.918   6.197   0.429
  148   HD21  ASN  15          1HD2      ASN  15  -3.664   5.542  -1.440
  149   HD22  ASN  15          2HD2      ASN  15  -3.691   6.451  -2.909
  150    H    LEU  16           H        LEU  16  -4.143   7.673   3.381
  151    HA   LEU  16           HA       LEU  16  -6.660   6.441   2.506
  152    HB2  LEU  16          2HB       LEU  16  -5.627   6.309   5.305
  153    HB3  LEU  16          3HB       LEU  16  -6.659   5.171   4.442
  154    HG   LEU  16           HG       LEU  16  -3.705   5.562   3.959
  155   HD11  LEU  16          1HD1      LEU  16  -3.752   4.487   5.993
  156   HD12  LEU  16          2HD1      LEU  16  -3.769   3.124   4.874
  157   HD13  LEU  16          3HD1      LEU  16  -5.266   3.654   5.641
  158   HD21  LEU  16          1HD2      LEU  16  -4.574   4.810   1.937
  159   HD22  LEU  16          2HD2      LEU  16  -5.795   3.806   2.720
  160   HD23  LEU  16          3HD2      LEU  16  -4.099   3.320   2.752
  161    H    VAL  17           H        VAL  17  -5.318   8.954   4.555
  162    HA   VAL  17           HA       VAL  17  -7.826   9.686   5.736
  163    HB   VAL  17           HB       VAL  17  -5.673  10.130   6.861
  164   HG11  VAL  17          1HG1      VAL  17  -4.717  10.925   4.503
  165   HG12  VAL  17          2HG1      VAL  17  -5.158  12.501   5.162
  166   HG13  VAL  17          3HG1      VAL  17  -4.030  11.463   6.035
  167   HG21  VAL  17          1HG2      VAL  17  -7.636  11.405   7.501
  168   HG22  VAL  17          2HG2      VAL  17  -6.197  12.420   7.594
  169   HG23  VAL  17          3HG2      VAL  17  -7.307  12.588   6.234
  Start of MODEL   19
    1    H1   GLU   1           H        GLU   1   2.979  -0.065  -0.300
    2    HA   GLU   1           HA       GLU   1   3.526  -1.208  -2.820
    3    HB2  GLU   1          2HB       GLU   1   2.262   1.538  -2.874
    4    HB3  GLU   1          3HB       GLU   1   3.074   0.781  -4.237
    5    HG2  GLU   1          2HG       GLU   1   0.944  -0.823  -3.011
    6    HG3  GLU   1          3HG       GLU   1   0.415   0.671  -3.782
    7    H    PHE   2           H        PHE   2   3.752   2.191  -1.803
    8    HA   PHE   2           HA       PHE   2   5.529   3.516  -1.292
    9    HB2  PHE   2          2HB       PHE   2   5.992   1.774   0.418
   10    HB3  PHE   2          3HB       PHE   2   6.992   0.924  -0.756
   11    HD1  PHE   2           HD1      PHE   2   6.817   4.583  -0.242
   12    HD2  PHE   2           HD2      PHE   2   9.086   1.022   0.293
   13    HE1  PHE   2           HE1      PHE   2   8.759   5.928   0.447
   14    HE2  PHE   2           HE2      PHE   2  11.031   2.360   0.984
   15    HZ   PHE   2           HZ       PHE   2  10.869   4.817   1.062
   16    H    LYS   3           H        LYS   3   5.230   1.825  -3.941
   17    HA   LYS   3           HA       LYS   3   7.823   2.675  -5.056
   18    HB2  LYS   3          2HB       LYS   3   7.730   0.837  -6.619
   19    HB3  LYS   3          3HB       LYS   3   7.556   0.206  -4.986
   20    HG2  LYS   3          2HG       LYS   3   4.983   0.807  -6.141
   21    HG3  LYS   3          3HG       LYS   3   5.908  -0.291  -7.168
   22    HD2  LYS   3          2HD       LYS   3   6.060  -0.962  -4.332
   23    HD3  LYS   3          3HD       LYS   3   4.416  -1.012  -4.973
   24    HE2  LYS   3          2HE       LYS   3   5.690  -2.296  -6.945
   25    HE3  LYS   3          3HE       LYS   3   6.762  -2.703  -5.606
   26    HZ1  LYS   3          1HZ       LYS   3   3.954  -3.441  -6.029
   27    HZ2  LYS   3          2HZ       LYS   3   4.518  -3.281  -4.442
   28    HZ3  LYS   3          3HZ       LYS   3   5.247  -4.390  -5.491
   29    H    ARG   4           H        ARG   4   4.490   3.091  -5.083
   30    HA   ARG   4           HA       ARG   4   4.298   3.911  -7.858
   31    HB2  ARG   4          2HB       ARG   4   1.953   4.451  -7.290
   32    HB3  ARG   4          3HB       ARG   4   2.384   2.799  -6.868
   33    HG2  ARG   4          2HG       ARG   4   2.921   4.017  -4.537
   34    HG3  ARG   4          3HG       ARG   4   1.635   5.064  -5.142
   35    HD2  ARG   4          2HD       ARG   4   1.314   2.090  -5.195
   36    HD3  ARG   4          3HD       ARG   4   1.034   2.986  -3.702
   37    HE   ARG   4           HE       ARG   4  -0.655   2.913  -6.016
   38   HH11  ARG   4          1HH1      ARG   4   0.306   4.805  -3.256
   39   HH12  ARG   4          2HH1      ARG   4  -1.176   5.699  -3.189
   40   HH21  ARG   4          1HH2      ARG   4  -2.611   4.084  -5.938
   41   HH22  ARG   4          2HH2      ARG   4  -2.835   5.288  -4.714
   42    H    ILE   5           H        ILE   5   6.186   5.458  -7.138
   43    HA   ILE   5           HA       ILE   5   6.875   7.625  -7.025
   44    HB   ILE   5           HB       ILE   5   4.018   8.548  -7.023
   45   HG12  ILE   5          2HG1      ILE   5   4.054   6.896  -8.763
   46   HG13  ILE   5          3HG1      ILE   5   4.155   8.476  -9.533
   47   HG21  ILE   5          1HG2      ILE   5   6.673   9.674  -7.702
   48   HG22  ILE   5          2HG2      ILE   5   5.298  10.196  -8.673
   49   HG23  ILE   5          3HG2      ILE   5   5.283  10.433  -6.926
   50   HD11  ILE   5          1HD1      ILE   5   6.572   8.183  -9.783
   51   HD12  ILE   5          2HD1      ILE   5   6.443   6.584  -9.048
   52   HD13  ILE   5          3HD1      ILE   5   5.657   6.912 -10.593
   53    H    VAL   6           H        VAL   6   5.675   6.014  -4.651
   54    HA   VAL   6           HA       VAL   6   5.159   8.207  -2.788
   55    HB   VAL   6           HB       VAL   6   5.134   5.253  -2.177
   56   HG11  VAL   6          1HG1      VAL   6   3.346   6.373  -0.514
   57   HG12  VAL   6          2HG1      VAL   6   5.053   6.172  -0.113
   58   HG13  VAL   6          3HG1      VAL   6   4.462   7.724  -0.709
   59   HG21  VAL   6          1HG2      VAL   6   3.574   5.818  -4.024
   60   HG22  VAL   6          2HG2      VAL   6   2.759   5.252  -2.566
   61   HG23  VAL   6          3HG2      VAL   6   2.781   6.972  -2.953
   62    H    GLN   7           H        GLN   7   7.814   6.779  -4.005
   63    HA   GLN   7           HA       GLN   7   9.379   6.038  -1.819
   64    HB2  GLN   7          2HB       GLN   7  11.291   6.352  -3.255
   65    HB3  GLN   7          3HB       GLN   7   9.979   5.661  -4.200
   66    HG2  GLN   7          2HG       GLN   7  10.446   8.614  -4.149
   67    HG3  GLN   7          3HG       GLN   7  11.376   7.562  -5.215
   68   HE21  GLN   7          1HE2      GLN   7  10.006   6.039  -6.541
   69   HE22  GLN   7          2HE2      GLN   7   8.571   6.698  -7.242
   70    H    ARG   8           H        ARG   8   8.409   9.164  -2.941
   71    HA   ARG   8           HA       ARG   8  10.428  10.585  -1.436
   72    HB2  ARG   8          2HB       ARG   8   8.002  11.962  -2.480
   73    HB3  ARG   8          3HB       ARG   8   9.678  12.494  -2.470
   74    HG2  ARG   8          2HG       ARG   8  10.141  10.804  -4.250
   75    HG3  ARG   8          3HG       ARG   8   8.404  10.507  -4.332
   76    HD2  ARG   8          2HD       ARG   8   8.642  12.072  -5.990
   77    HD3  ARG   8          3HD       ARG   8   8.292  13.113  -4.610
   78    HE   ARG   8           HE       ARG   8  10.414  13.962  -4.754
   79   HH11  ARG   8          1HH1      ARG   8  10.215  11.045  -6.644
   80   HH12  ARG   8          2HH1      ARG   8  11.779  11.247  -7.360
   81   HH21  ARG   8          1HH2      ARG   8  12.476  14.239  -5.690
   82   HH22  ARG   8          2HH2      ARG   8  13.065  13.064  -6.816
   83    H    ILE   9           H        ILE   9   7.758   8.932  -0.551
   84    HA   ILE   9           HA       ILE   9   6.536   8.834   1.368
   85    HB   ILE   9           HB       ILE   9   8.146  11.140   2.443
   86   HG12  ILE   9          2HG1      ILE   9   9.764   9.572   1.581
   87   HG13  ILE   9          3HG1      ILE   9   9.713   9.407   3.333
   88   HG21  ILE   9          1HG2      ILE   9   6.345   9.078   3.547
   89   HG22  ILE   9          2HG2      ILE   9   7.781   9.453   4.498
   90   HG23  ILE   9          3HG2      ILE   9   6.642  10.733   4.081
   91   HD11  ILE   9          1HD1      ILE   9   8.401   7.402   3.148
   92   HD12  ILE   9          2HD1      ILE   9   8.290   7.596   1.398
   93   HD13  ILE   9          3HD1      ILE   9   9.848   7.254   2.151
   94    H    LYS  10           H        LYS  10   6.267  11.059  -0.839
   95    HA   LYS  10           HA       LYS  10   5.062  13.322   0.120
   96    HB2  LYS  10          2HB       LYS  10   3.548  13.047  -2.001
   97    HB3  LYS  10          3HB       LYS  10   5.277  13.317  -2.178
   98    HG2  LYS  10          2HG       LYS  10   5.632  11.291  -3.074
   99    HG3  LYS  10          3HG       LYS  10   4.476  10.498  -2.001
  100    HD2  LYS  10          2HD       LYS  10   3.712  12.219  -4.359
  101    HD3  LYS  10          3HD       LYS  10   3.819  10.457  -4.403
  102    HE2  LYS  10          2HE       LYS  10   2.244  10.990  -2.185
  103    HE3  LYS  10          3HE       LYS  10   1.711  12.168  -3.383
  104    HZ1  LYS  10          1HZ       LYS  10   1.147  10.478  -4.883
  105    HZ2  LYS  10          2HZ       LYS  10   0.556   9.940  -3.393
  106    HZ3  LYS  10          3HZ       LYS  10   1.987   9.291  -4.019
  107    H    ASP  11           H        ASP  11   3.596  10.131  -0.314
  108    HA   ASP  11           HA       ASP  11   1.295  11.067   1.275
  109    HB2  ASP  11          2HB       ASP  11   1.416   9.328  -1.156
  110    HB3  ASP  11          3HB       ASP  11   0.149   9.040   0.034
  111    H    PHE  12           H        PHE  12   2.282   7.830   0.214
  112    HA   PHE  12           HA       PHE  12   2.841   5.947   1.366
  113    HB2  PHE  12          2HB       PHE  12   4.185   7.950   2.698
  114    HB3  PHE  12          3HB       PHE  12   3.265   7.182   3.989
  115    HD1  PHE  12           HD1      PHE  12   3.268   4.406   3.419
  116    HD2  PHE  12           HD2      PHE  12   6.364   7.249   2.750
  117    HE1  PHE  12           HE1      PHE  12   4.942   2.607   3.543
  118    HE2  PHE  12           HE2      PHE  12   8.043   5.455   2.872
  119    HZ   PHE  12           HZ       PHE  12   7.333   3.130   3.268
  120    H    LEU  13           H        LEU  13   1.427   7.946   3.954
  121    HA   LEU  13           HA       LEU  13  -0.703   5.926   4.216
  122    HB2  LEU  13          2HB       LEU  13   0.166   7.665   6.486
  123    HB3  LEU  13          3HB       LEU  13  -0.659   6.109   6.528
  124    HG   LEU  13           HG       LEU  13   2.238   6.518   5.790
  125   HD11  LEU  13          1HD1      LEU  13   1.026   5.431   8.327
  126   HD12  LEU  13          2HD1      LEU  13   1.785   7.012   8.151
  127   HD13  LEU  13          3HD1      LEU  13   2.745   5.546   7.952
  128   HD21  LEU  13          1HD2      LEU  13   0.618   4.458   5.060
  129   HD22  LEU  13          2HD2      LEU  13   1.262   3.872   6.593
  130   HD23  LEU  13          3HD2      LEU  13   2.362   4.334   5.293
  131    H    ARG  14           H        ARG  14  -0.046   9.049   3.337
  132    HA   ARG  14           HA       ARG  14  -2.383  10.319   4.441
  133    HB2  ARG  14          2HB       ARG  14  -0.005  11.144   3.072
  134    HB3  ARG  14          3HB       ARG  14  -1.404  11.797   2.230
  135    HG2  ARG  14          2HG       ARG  14  -1.936  13.199   3.914
  136    HG3  ARG  14          3HG       ARG  14  -1.418  12.066   5.165
  137    HD2  ARG  14          2HD       ARG  14   0.961  12.627   4.071
  138    HD3  ARG  14          3HD       ARG  14   0.120  14.134   3.710
  139    HE   ARG  14           HE       ARG  14   0.960  13.187   6.298
  140   HH11  ARG  14          1HH1      ARG  14  -1.196  15.299   4.562
  141   HH12  ARG  14          2HH1      ARG  14  -1.429  16.375   5.900
  142   HH21  ARG  14          1HH2      ARG  14   0.662  14.597   8.066
  143   HH22  ARG  14          2HH2      ARG  14  -0.371  15.975   7.892
  144    H    ASN  15           H        ASN  15  -1.939   8.110   2.021
  145    HA   ASN  15           HA       ASN  15  -3.953   9.187   0.216
  146    HB2  ASN  15          2HB       ASN  15  -1.750   7.712  -0.286
  147    HB3  ASN  15          3HB       ASN  15  -2.946   6.426  -0.162
  148   HD21  ASN  15          1HD2      ASN  15  -5.164   7.660  -1.206
  149   HD22  ASN  15          2HD2      ASN  15  -4.898   8.000  -2.879
  150    H    LEU  16           H        LEU  16  -4.178   7.851   3.102
  151    HA   LEU  16           HA       LEU  16  -6.460   6.121   2.414
  152    HB2  LEU  16          2HB       LEU  16  -5.257   4.685   3.661
  153    HB3  LEU  16          3HB       LEU  16  -4.354   5.973   4.457
  154    HG   LEU  16           HG       LEU  16  -6.293   6.354   5.950
  155   HD11  LEU  16          1HD1      LEU  16  -7.560   4.581   4.075
  156   HD12  LEU  16          2HD1      LEU  16  -8.277   5.564   5.351
  157   HD13  LEU  16          3HD1      LEU  16  -7.685   3.943   5.714
  158   HD21  LEU  16          1HD2      LEU  16  -5.629   3.457   6.166
  159   HD22  LEU  16          2HD2      LEU  16  -5.688   4.698   7.418
  160   HD23  LEU  16          3HD2      LEU  16  -4.331   4.645   6.291
  161    H    VAL  17           H        VAL  17  -5.353   8.724   4.523
  162    HA   VAL  17           HA       VAL  17  -7.979   9.067   5.697
  163    HB   VAL  17           HB       VAL  17  -5.492  10.758   5.990
  164   HG11  VAL  17          1HG1      VAL  17  -7.147  12.201   6.652
  165   HG12  VAL  17          2HG1      VAL  17  -8.218  10.903   7.185
  166   HG13  VAL  17          3HG1      VAL  17  -6.827  11.360   8.168
  167   HG21  VAL  17          1HG2      VAL  17  -4.743   9.293   7.487
  168   HG22  VAL  17          2HG2      VAL  17  -6.294   9.275   8.327
  169   HG23  VAL  17          3HG2      VAL  17  -6.018   8.193   6.963
  Start of MODEL   20
    1    H1   GLU   1           H        GLU   1   3.575   1.209   0.973
    2    HA   GLU   1           HA       GLU   1   4.345  -0.710  -1.104
    3    HB2  GLU   1          2HB       GLU   1   2.984   1.982  -1.299
    4    HB3  GLU   1          3HB       GLU   1   3.391   0.967  -2.675
    5    HG2  GLU   1          2HG       GLU   1   1.893  -0.518  -0.717
    6    HG3  GLU   1          3HG       GLU   1   1.035   0.946  -1.194
    7    H    PHE   2           H        PHE   2   4.702   2.822  -0.919
    8    HA   PHE   2           HA       PHE   2   6.488   4.195  -1.240
    9    HB2  PHE   2          2HB       PHE   2   7.500   2.629   0.509
   10    HB3  PHE   2          3HB       PHE   2   8.292   1.813  -0.836
   11    HD1  PHE   2           HD1      PHE   2   7.810   5.274   0.475
   12    HD2  PHE   2           HD2      PHE   2  10.428   2.460  -1.354
   13    HE1  PHE   2           HE1      PHE   2   9.634   6.923   0.556
   14    HE2  PHE   2           HE2      PHE   2  12.256   4.104  -1.274
   15    HZ   PHE   2           HZ       PHE   2  11.861   6.339  -0.318
   16    H    LYS   3           H        LYS   3   5.437   2.062  -3.297
   17    HA   LYS   3           HA       LYS   3   7.522   2.610  -5.308
   18    HB2  LYS   3          2HB       LYS   3   7.009   0.524  -6.391
   19    HB3  LYS   3          3HB       LYS   3   7.336   0.201  -4.693
   20    HG2  LYS   3          2HG       LYS   3   4.535   0.679  -5.076
   21    HG3  LYS   3          3HG       LYS   3   5.099  -0.570  -6.188
   22    HD2  LYS   3          2HD       LYS   3   6.330  -1.379  -3.944
   23    HD3  LYS   3          3HD       LYS   3   4.920  -0.588  -3.235
   24    HE2  LYS   3          2HE       LYS   3   3.504  -1.947  -4.809
   25    HE3  LYS   3          3HE       LYS   3   4.961  -2.845  -5.231
   26    HZ1  LYS   3          1HZ       LYS   3   4.865  -2.828  -2.479
   27    HZ2  LYS   3          2HZ       LYS   3   4.534  -4.136  -3.499
   28    HZ3  LYS   3          3HZ       LYS   3   3.275  -3.137  -2.969
   29    H    ARG   4           H        ARG   4   4.281   2.995  -4.385
   30    HA   ARG   4           HA       ARG   4   3.582   3.913  -7.097
   31    HB2  ARG   4          2HB       ARG   4   2.087   2.278  -5.144
   32    HB3  ARG   4          3HB       ARG   4   1.159   3.543  -5.937
   33    HG2  ARG   4          2HG       ARG   4   2.204   2.558  -8.112
   34    HG3  ARG   4          3HG       ARG   4   2.457   1.130  -7.107
   35    HD2  ARG   4          2HD       ARG   4   0.039   1.184  -6.530
   36    HD3  ARG   4          3HD       ARG   4  -0.163   2.509  -7.676
   37    HE   ARG   4           HE       ARG   4   1.054   0.421  -9.043
   38   HH11  ARG   4          1HH1      ARG   4  -1.961   1.055  -7.422
   39   HH12  ARG   4          2HH1      ARG   4  -2.876  -0.024  -8.422
   40   HH21  ARG   4          1HH2      ARG   4  -0.139  -1.002 -10.366
   41   HH22  ARG   4          2HH2      ARG   4  -1.838  -1.194 -10.096
   42    H    ILE   5           H        ILE   5   4.214   6.037  -6.782
   43    HA   ILE   5           HA       ILE   5   4.030   8.215  -6.147
   44    HB   ILE   5           HB       ILE   5   1.319   7.623  -5.005
   45   HG12  ILE   5          2HG1      ILE   5   0.844   8.250  -7.641
   46   HG13  ILE   5          3HG1      ILE   5   2.243   7.188  -7.756
   47   HG21  ILE   5          1HG2      ILE   5   2.741   9.962  -6.162
   48   HG22  ILE   5          2HG2      ILE   5   0.995   9.857  -6.375
   49   HG23  ILE   5          3HG2      ILE   5   1.686   9.863  -4.752
   50   HD11  ILE   5          1HD1      ILE   5   0.865   5.468  -7.612
   51   HD12  ILE   5          2HD1      ILE   5   0.487   5.955  -5.960
   52   HD13  ILE   5          3HD1      ILE   5  -0.503   6.535  -7.298
   53    H    VAL   6           H        VAL   6   4.722   5.974  -4.137
   54    HA   VAL   6           HA       VAL   6   4.449   7.639  -1.718
   55    HB   VAL   6           HB       VAL   6   4.659   4.627  -1.829
   56   HG11  VAL   6          1HG1      VAL   6   5.673   5.339   0.174
   57   HG12  VAL   6          2HG1      VAL   6   4.448   6.581   0.446
   58   HG13  VAL   6          3HG1      VAL   6   4.030   4.875   0.618
   59   HG21  VAL   6          1HG2      VAL   6   2.265   5.505  -0.600
   60   HG22  VAL   6          2HG2      VAL   6   2.408   6.342  -2.146
   61   HG23  VAL   6          3HG2      VAL   6   2.454   4.580  -2.090
   62    H    GLN   7           H        GLN   7   6.565   6.274  -3.955
   63    HA   GLN   7           HA       GLN   7   8.806   5.609  -2.448
   64    HB2  GLN   7          2HB       GLN   7   8.913   5.052  -4.718
   65    HB3  GLN   7          3HB       GLN   7   8.451   6.669  -5.233
   66    HG2  GLN   7          2HG       GLN   7  10.562   7.493  -5.034
   67    HG3  GLN   7          3HG       GLN   7  11.003   6.360  -3.757
   68   HE21  GLN   7          1HE2      GLN   7  12.916   5.784  -4.765
   69   HE22  GLN   7          2HE2      GLN   7  12.956   4.803  -6.186
   70    H    ARG   8           H        ARG   8   7.419   8.693  -3.123
   71    HA   ARG   8           HA       ARG   8   9.797  10.203  -2.517
   72    HB2  ARG   8          2HB       ARG   8   7.005  11.317  -2.535
   73    HB3  ARG   8          3HB       ARG   8   8.514  12.130  -2.925
   74    HG2  ARG   8          2HG       ARG   8   7.228   9.967  -4.579
   75    HG3  ARG   8          3HG       ARG   8   7.141  11.699  -4.907
   76    HD2  ARG   8          2HD       ARG   8   9.844  11.234  -4.619
   77    HD3  ARG   8          3HD       ARG   8   9.271   9.795  -5.461
   78    HE   ARG   8           HE       ARG   8   8.218  12.122  -6.671
   79   HH11  ARG   8          1HH1      ARG   8  11.173  10.311  -6.341
   80   HH12  ARG   8          2HH1      ARG   8  11.819  10.839  -7.859
   81   HH21  ARG   8          1HH2      ARG   8   9.058  12.824  -8.672
   82   HH22  ARG   8          2HH2      ARG   8  10.616  12.269  -9.184
   83    H    ILE   9           H        ILE   9   7.128   8.873  -0.772
   84    HA   ILE   9           HA       ILE   9   6.828   8.644   1.488
   85    HB   ILE   9           HB       ILE   9   9.503   9.366   1.368
   86   HG12  ILE   9          2HG1      ILE   9   8.623   7.519   2.666
   87   HG13  ILE   9          3HG1      ILE   9   9.545   8.576   3.729
   88   HG21  ILE   9          1HG2      ILE   9   8.722  11.700   1.898
   89   HG22  ILE   9          2HG2      ILE   9   8.199  11.085   3.464
   90   HG23  ILE   9          3HG2      ILE   9   9.903  11.023   3.018
   91   HD11  ILE   9          1HD1      ILE   9   7.564   9.477   4.676
   92   HD12  ILE   9          2HD1      ILE   9   6.555   8.685   3.466
   93   HD13  ILE   9          3HD1      ILE   9   7.402   7.721   4.674
   94    H    LYS  10           H        LYS  10   6.772  11.500  -0.258
   95    HA   LYS  10           HA       LYS  10   6.124  13.499   1.514
   96    HB2  LYS  10          2HB       LYS  10   4.753  14.472  -0.313
   97    HB3  LYS  10          3HB       LYS  10   6.342  13.942  -0.849
   98    HG2  LYS  10          2HG       LYS  10   5.085  13.097  -2.537
   99    HG3  LYS  10          3HG       LYS  10   5.011  11.730  -1.423
  100    HD2  LYS  10          2HD       LYS  10   2.789  11.897  -1.693
  101    HD3  LYS  10          3HD       LYS  10   2.916  13.254  -0.571
  102    HE2  LYS  10          2HE       LYS  10   3.382  14.648  -2.706
  103    HE3  LYS  10          3HE       LYS  10   2.670  13.278  -3.556
  104    HZ1  LYS  10          1HZ       LYS  10   0.726  13.545  -2.003
  105    HZ2  LYS  10          2HZ       LYS  10   0.925  14.774  -3.147
  106    HZ3  LYS  10          3HZ       LYS  10   1.391  15.031  -1.542
  107    H    ASP  11           H        ASP  11   4.181  10.781   0.489
  108    HA   ASP  11           HA       ASP  11   1.991  11.736   2.216
  109    HB2  ASP  11          2HB       ASP  11   2.010  10.213  -0.351
  110    HB3  ASP  11          3HB       ASP  11   0.732   9.867   0.811
  111    H    PHE  12           H        PHE  12   2.678   8.510   0.928
  112    HA   PHE  12           HA       PHE  12   3.125   6.519   1.947
  113    HB2  PHE  12          2HB       PHE  12   4.600   8.264   3.418
  114    HB3  PHE  12          3HB       PHE  12   3.527   7.621   4.657
  115    HD1  PHE  12           HD1      PHE  12   6.132   6.778   2.207
  116    HD2  PHE  12           HD2      PHE  12   3.734   5.378   5.432
  117    HE1  PHE  12           HE1      PHE  12   7.557   4.781   2.395
  118    HE2  PHE  12           HE2      PHE  12   5.155   3.379   5.626
  119    HZ   PHE  12           HZ       PHE  12   7.070   3.079   4.107
  120    H    LEU  13           H        LEU  13   1.718   8.430   4.607
  121    HA   LEU  13           HA       LEU  13  -0.533   6.528   4.650
  122    HB2  LEU  13          2HB       LEU  13   0.383   8.035   7.068
  123    HB3  LEU  13          3HB       LEU  13  -0.584   6.564   6.978
  124    HG   LEU  13           HG       LEU  13   2.351   6.708   6.298
  125   HD11  LEU  13          1HD1      LEU  13   1.116   5.597   8.806
  126   HD12  LEU  13          2HD1      LEU  13   1.802   7.218   8.698
  127   HD13  LEU  13          3HD1      LEU  13   2.828   5.807   8.437
  128   HD21  LEU  13          1HD2      LEU  13   0.564   4.338   6.830
  129   HD22  LEU  13          2HD2      LEU  13   2.262   4.303   6.355
  130   HD23  LEU  13          3HD2      LEU  13   1.042   4.896   5.226
  131    H    ARG  14           H        ARG  14   0.369   9.676   4.082
  132    HA   ARG  14           HA       ARG  14  -1.912  11.018   5.192
  133    HB2  ARG  14          2HB       ARG  14   0.247  11.838   3.257
  134    HB3  ARG  14          3HB       ARG  14  -1.099  12.899   3.653
  135    HG2  ARG  14          2HG       ARG  14  -0.448  12.732   6.046
  136    HG3  ARG  14          3HG       ARG  14   0.975  11.818   5.545
  137    HD2  ARG  14          2HD       ARG  14   1.798  13.682   4.277
  138    HD3  ARG  14          3HD       ARG  14   0.308  14.584   4.553
  139    HE   ARG  14           HE       ARG  14   1.288  14.056   7.054
  140   HH11  ARG  14          1HH1      ARG  14   2.490  15.638   4.196
  141   HH12  ARG  14          2HH1      ARG  14   3.503  16.737   5.072
  142   HH21  ARG  14          1HH2      ARG  14   2.618  15.497   8.219
  143   HH22  ARG  14          2HH2      ARG  14   3.575  16.656   7.360
  144    H    ASN  15           H        ASN  15  -1.572   8.939   2.643
  145    HA   ASN  15           HA       ASN  15  -3.311  10.237   0.756
  146    HB2  ASN  15          2HB       ASN  15  -1.555   8.016   0.727
  147    HB3  ASN  15          3HB       ASN  15  -3.157   7.402   0.332
  148   HD21  ASN  15          1HD2      ASN  15  -0.611   7.922  -1.223
  149   HD22  ASN  15          2HD2      ASN  15  -1.144   8.801  -2.612
  150    H    LEU  16           H        LEU  16  -3.843   8.782   3.677
  151    HA   LEU  16           HA       LEU  16  -5.759   8.219   4.777
  152    HB2  LEU  16          2HB       LEU  16  -7.332   8.621   2.260
  153    HB3  LEU  16          3HB       LEU  16  -7.850   8.825   3.933
  154    HG   LEU  16           HG       LEU  16  -6.081  10.664   2.328
  155   HD11  LEU  16          1HD1      LEU  16  -8.684  10.604   2.159
  156   HD12  LEU  16          2HD1      LEU  16  -7.839  12.145   2.301
  157   HD13  LEU  16          3HD1      LEU  16  -8.608  11.428   3.717
  158   HD21  LEU  16          1HD2      LEU  16  -6.069  12.083   4.353
  159   HD22  LEU  16          2HD2      LEU  16  -5.204  10.562   4.571
  160   HD23  LEU  16          3HD2      LEU  16  -6.820  10.763   5.250
  161    H    VAL  17           H        VAL  17  -6.422   7.136   1.444
  162    HA   VAL  17           HA       VAL  17  -6.994   5.092   0.609
  163    HB   VAL  17           HB       VAL  17  -4.952   4.177   2.640
  164   HG11  VAL  17          1HG1      VAL  17  -4.854   2.424   0.539
  165   HG12  VAL  17          2HG1      VAL  17  -5.664   2.130   2.079
  166   HG13  VAL  17          3HG1      VAL  17  -6.584   2.730   0.698
  167   HG21  VAL  17          1HG2      VAL  17  -3.521   4.100   0.511
  168   HG22  VAL  17          2HG2      VAL  17  -4.752   5.149  -0.192
  169   HG23  VAL  17          3HG2      VAL  17  -3.849   5.678   1.227