*HEADER    SIGNALING PROTEIN                       11-DEC-17   6F7M              
*TITLE     NMR STRUCTURE OF EPHA2-SAM STAPLED PEPTIDES (S13ST)                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EPHRIN TYPE-A RECEPTOR 2;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: EPITHELIAL CELL KINASE,TYROSINE-PROTEIN KINASE RECEPTOR ECK;
*COMPND   5 EC: 2.7.10.1;                                                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 OTHER_DETAILS: FRAGMENT 945-969 OF HUMAN EPHA2 RECEPTOR (UNIPROT     
*COMPND   8 ENTRY P29317) WITH I958 AND L962 MUTATED IN MK8 (=(S)-2-(4'-PENTENYL)
*COMPND   9 ALANINE)                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    EPHRIN RECEPTOR, SAM DOMAIN, STAPLED PEPTIDE, SIGNALING PROTEIN       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    F.A.MERCURIO,M.LEONE                                                  
*REVDAT   2   15-NOV-23 6F7M    1
*REVDAT   1   01-AUG-18 6F7M    0                                                
# Restraints file 1: S13ST.upl
  8 LEU  H       8 LEU  HB3     3.73            #peak    37
  7 ARG  HA      8 LEU  H       3.02            #peak    78
  4 ILE  H       4 ILE  HB      3.89            #peak   102
 26 VAL  H      26 VAL  HB      3.92            #peak   142
 25 GLN  H      25 GLN  HB2     4.07            #peak   156
 25 GLN  H      25 GLN  HB3     4.07            #peak   157
 20 LEU  H      20 LEU  HB2     3.45            #peak   194
 20 LEU  H      20 LEU  HB3     3.45            #peak   195
 18 SER  H      18 SER  HB2     3.55            #peak   259
 17 TYR  QB     18 SER  H       4.49            #peak   265
 23 LYS  H      23 LYS  QB      4.12            #peak   279
 20 LEU  HB2    21 GLY  H       3.73            #peak   326
 20 LEU  HB3    21 GLY  H       3.73            #peak   327
 18 SER  HA     20 LEU  H       4.66            #peak   424
 19 MLYS H      20 LEU  H       3.48            #peak   427
 20 LEU  H      21 GLY  H       3.24            #peak   428
 22 LEU  H      23 LYS  H       3.55            #peak   487
 16 ALA  H      17 TYR  H       3.83            #peak   449
 18 SER  HB2    19 MLYS H       4.01            #peak   450
 18 SER  H      18 SER  HB3     3.55            #peak   471
 17 TYR  H      18 SER  H       3.30            #peak   497
 18 SER  H      19 MLYS H       3.17            #peak   429
 22 LEU  QB     23 LYS  H       4.65            #peak   485
  8 LEU  H       8 LEU  HB2     3.73            #peak   488
 18 SER  HB3    19 MLYS H       4.01            #peak   492
 19 MLYS H      19 MLYS HB2     3.92            #peak   494
 19 MLYS H      19 MLYS HB3     3.92            #peak   495
 23 LYS  QB     24 ASP  H       5.36            #peak   496
 17 TYR  H      19 MLYS H       4.04            #peak   499
 18 SER  HA     21 GLY  H       4.14            #peak   500
 20 LEU  HA     22 LEU  H       3.70            #peak   502
 13 LYS  HA     15 MLYS H       4.14            #peak   559
 15 MLYS H      15 MLYS HB2     4.07            #peak   561
 15 MLYS H      15 MLYS HB3     4.07            #peak   562
 21 GLY  QA     23 LYS  H       5.45            #peak   568
 19 MLYS HB3    20 LEU  H       3.36            #peak   569
 25 GLN  H      26 VAL  H       4.48            #peak   604
 20 LEU  H      22 LEU  H       5.00            #peak   607
 16 ALA  H      18 SER  H       5.25            #peak   630
 15 MLYS H      16 ALA  H       5.16            #peak   637
 16 ALA  HA     19 MLYS HB2     4.57            #peak   639
 16 ALA  HA     19 MLYS HB3     4.57            #peak   640
 12 GLN  HA     15 MLYS H       4.42            #peak   641
 14 ARG  HA     17 TYR  QB      4.86            #peak   661
 23 LYS  H      24 ASP  H       4.66            #peak   672
 17 TYR  QB     19 MLYS H       6.26            #peak   673
 20 LEU  HA     23 LYS  QB      5.20            #peak   708
 22 LEU  HA     25 GLN  HB3     5.22            #peak   709
 22 LEU  HA     25 GLN  HB2     5.22            #peak   710
 14 ARG  HB2    15 MLYS H       4.72            #peak   742
 19 MLYS HB2    20 LEU  H       3.36            #peak   748
  3 ARG  H       3 ARG  HB2     3.70            #peak   759
  3 ARG  H       3 ARG  HB3     3.70            #peak   760
 15 MLYS HB2    16 ALA  H       3.39            #peak   769
 15 MLYS HB3    16 ALA  H       3.39            #peak   770
 14 ARG  HB3    15 MLYS H       4.72            #peak   774
 17 TYR  HA     20 LEU  HB2     4.01            #peak   777
 17 TYR  HA     20 LEU  HB3     4.01            #peak   778
 21 GLY  QA     24 ASP  HB2     6.38            #peak   812
 21 GLY  QA     24 ASP  HB3     6.38            #peak   813
 12 GLN  HA     15 MLYS HB2     3.61            #peak   836
 12 GLN  HA     15 MLYS HB3     3.61            #peak   837
 19 MLYS H      20 LEU  HB2     4.72            #peak   838
 19 MLYS H      20 LEU  HB3     4.72            #peak   839
 21 GLY  H      22 LEU  H       3.55            #peak   849
 23 LYS  HA     26 VAL  HB      4.01            #peak   851
 22 LEU  HA     26 VAL  H       4.38            #peak   852
 20 LEU  HA     24 ASP  H       4.54            #peak   853
 20 LEU  HA     23 LYS  H       4.07            #peak   854
  7 ARG  HA      7 ARG  QD      6.38            #peak    64
 25 GLN  H      25 GLN  QG      6.38            #peak   155
 17 TYR  HA     17 TYR  HD1     5.50            #peak   241
 17 TYR  HA     17 TYR  HD2     5.50            #peak   243
 11 HIS  HA     11 HIS  HD1     5.50            #peak   256
 23 LYS  QB     23 LYS  QE      7.26            #peak   287
 13 LYS  QB     13 LYS  QE      7.26            #peak   368
 13 LYS  HA     13 LYS  QD      6.38            #peak   376
 14 ARG  HA     14 ARG  QD      5.05            #peak   413
 17 TYR  H      17 TYR  HD1     5.50            #peak   430
  8 LEU  H       8 LEU  HG      4.72            #peak   489
 26 VAL  HB     27 CON2 HN2     5.50            #peak   606
 12 GLN  H      12 GLN  QG      6.38            #peak   663
 11 HIS  HA     11 HIS  HE1     5.50            #peak   665
 19 MLYS H      19 MLYS HG3     5.50            #peak   692
 15 MLYS HD3    19 MLYS H       5.50            #peak   695
 15 MLYS HD2    19 MLYS H       5.50            #peak   696
  9 PRO  QG     11 HIS  HE1     6.39            #peak   698
  9 PRO  HB2    11 HIS  HE1     5.50            #peak   699
  9 PRO  HB3    11 HIS  HE1     5.50            #peak   700
 20 LEU  HG     21 GLY  H       4.88            #peak   707
 22 LEU  HA     25 GLN  QG      6.38            #peak   711
 19 MLYS H      19 MLYS HG2     5.50            #peak   725
 16 ALA  HA     19 MLYS HG2     5.50            #peak   730
 16 ALA  HA     19 MLYS HG3     5.50            #peak   747
  3 ARG  H       3 ARG  HG2     4.20            #peak   761
  3 ARG  H       3 ARG  HG3     4.20            #peak   762
 14 ARG  H      14 ARG  QG      6.38            #peak   767
 15 MLYS QG     16 ALA  H       6.38            #peak   773
 17 TYR  HD1    20 LEU  HB2     5.50            #peak   799
 17 TYR  HD1    20 LEU  HB3     5.50            #peak   800
 17 TYR  HD2    20 LEU  HB2     5.50            #peak   801
 17 TYR  HD2    20 LEU  HB3     5.50            #peak   802
 17 TYR  HE2    20 LEU  HB2     5.50            #peak   804
 17 TYR  HE2    20 LEU  HB3     5.50            #peak   805
 17 TYR  HD1    20 LEU  HG      5.50            #peak   809
 17 TYR  HD2    20 LEU  HG      5.50            #peak   810
 17 TYR  HE2    20 LEU  HG      5.50            #peak   811
  8 LEU  HG      9 PRO  HD2     5.50            #peak   825
  8 LEU  HG      9 PRO  HD3     5.50            #peak   826
  8 LEU  HB2     9 PRO  HD2     5.50            #peak   827
  8 LEU  HB2     9 PRO  HD3     5.50            #peak   828
  8 LEU  HB3     9 PRO  HD2     5.50            #peak   441
  8 LEU  HB3     9 PRO  HD3     5.50            #peak   440
  9 PRO  QG     11 HIS  HD1     6.39            #peak   834
 14 ARG  QG     17 TYR  HE2     6.38            #peak   846
 14 ARG  QG     17 TYR  HD2     6.38            #peak   847
 14 ARG  QG     17 TYR  HD1     6.38            #peak   848
  8 LEU  HA      8 LEU  QQD     6.76            #peak    47
  6 VAL  H       6 VAL  QQG     7.07            #peak    82
  4 ILE  H       4 ILE  QG2     6.52            #peak   105
  4 ILE  HA      4 ILE  QD1     4.51            #peak   111
 26 VAL  H      26 VAL  QQG     7.60            #peak   143
 20 LEU  HA     20 LEU  QQD     7.60            #peak   210
 22 LEU  H      22 LEU  QQD     7.60            #peak   214
 22 LEU  HA     22 LEU  QQD     6.26            #peak   223
 20 LEU  QQD    21 GLY  H       6.64            #peak   328
 20 LEU  H      20 LEU  QQD     7.60            #peak   329
 16 ALA  QB     17 TYR  H       4.32            #peak   402
 22 LEU  QQD    23 LYS  H       7.60            #peak   486
  8 LEU  H       8 LEU  QQD     7.60            #peak   490
 13 LYS  HA     16 ALA  QB      4.94            #peak   662
  8 LEU  QQD    11 HIS  HE1     7.60            #peak   703
 15 MLYS QB1    18 SER  H       5.59            #peak   722
 15 MLYS QB1    15 MLYS QG      7.25            #peak   734
 19 MLYS QB1    22 LEU  H       6.30            #peak   735
 15 MLYS QB1    16 ALA  H       4.57            #peak   772
 17 TYR  HD1    20 LEU  QQD     7.60            #peak   806
 17 TYR  HD2    20 LEU  QQD     7.60            #peak   807
 17 TYR  HE2    20 LEU  QQD     7.60            #peak   808
  8 LEU  QQD     9 PRO  HD2     7.60            #peak   831
  8 LEU  QQD     9 PRO  HD3     7.60            #peak   832
 19 MLYS H      20 LEU  QQD     7.60            #peak   840
 15 MLYS QB1    18 SER  HA      6.37            #peak   845
 15 MLYS CE     19 MLYS CE      1.34 
  3 ARG  H       3 ARG  QB      3.21            #peak   759
  3 ARG  H       3 ARG  QG      3.45            #peak   762
  4 ILE  HA      4 ILE  QG1     3.24            #peak   108
  8 LEU  H       8 LEU  QB      3.27            #peak    37
  8 LEU  HA      9 PRO  QD      3.12            #peak    51
  8 LEU  QB      9 PRO  QD      3.80            #peak   441
  8 LEU  QB     11 HIS  HD1     5.34            #peak   835
  8 LEU  QB     11 HIS  HE1     5.34            #peak   701
  9 PRO  QB     11 HIS  HD1     5.34            #peak   833
  9 PRO  QB     11 HIS  HE1     4.66            #peak   700
 15 MLYS QD     19 MLYS H       4.68            #peak   696
 16 ALA  HA     19 MLYS QB      3.88            #peak   639
 17 TYR  HA     20 LEU  QB      3.50            #peak   777
 17 TYR  QE     20 LEU  QB      7.32            #peak   803
 17 TYR  HD2    20 LEU  QB      4.84            #peak   801
 19 MLYS H      19 MLYS QB      3.33            #peak   494
 19 MLYS H      19 MLYS QD      4.97            #peak   739
 19 MLYS QG     19 MLYS HE      3.77            #peak   457
 19 MLYS QG     20 LEU  H       5.34            #peak   463
 20 LEU  QB     22 LEU  H       4.65            #peak   844
 22 LEU  HA     25 GLN  QB      4.59            #peak   709
 23 LYS  H      23 LYS  QG      4.60            #peak   281
 23 LYS  HA     23 LYS  QG      3.74            #peak   313
 25 GLN  H      25 GLN  QB      3.47            #peak   157
# Restraints file 2: S13ST.aco
   2 LYS   PHI    -315.0   -45.0
   2 LYS   PHI    -185.0    75.0
   2 LYS   CHI1   -335.0   -25.0
   2 LYS   CHI1   -205.0    95.0
   2 LYS   CHI2   -325.0   -35.0
   2 LYS   PSI     -85.0   205.0
   3 ARG   PHI    -155.0   -45.0
   3 ARG   CHI1   -335.0   -25.0
   3 ARG   CHI1   -135.0    95.0
   3 ARG   CHI2   -325.0   -35.0
   3 ARG   PSI     -85.0   195.0
   4 ILE   PHI    -315.0   -45.0
   4 ILE   PHI    -185.0    75.0
   4 ILE   CHI1   -325.0   -25.0
   4 ILE   CHI1   -195.0    75.0
   4 ILE   CHI1    -75.0   205.0
   4 ILE   CHI21  -315.0   -45.0
   4 ILE   CHI21   -85.0   195.0
   4 ILE   PSI     -85.0   195.0
   5 GLY   PHI    -315.0   -45.0
   6 VAL   PHI    -315.0   -45.0
   6 VAL   PHI    -185.0    75.0
   6 VAL   CHI1   -315.0   -45.0
   6 VAL   CHI1   -195.0    85.0
   6 VAL   CHI1    -95.0   205.0
   6 VAL   PSI     -85.0   195.0
   7 ARG   PHI    -315.0   -45.0
   7 ARG   PHI    -185.0    75.0
   7 ARG   CHI1   -335.0   -25.0
   7 ARG   CHI1   -205.0    95.0
   7 ARG   CHI2   -325.0   -35.0
   7 ARG   PSI       5.0   195.0
   8 LEU   PHI    -175.0   -45.0
   8 LEU   CHI1   -355.0    -5.0
   8 LEU   CHI1   -125.0    85.0
   8 LEU   CHI2     35.0   315.0
   8 LEU   CHI2    -75.0   195.0
   8 LEU   PSI     145.0   165.0
   9 PRO   PSI    -295.0     5.0
   9 PRO   PSI     -55.0   195.0
  10 GLY   PHI    -315.0   -45.0
  11 HIS   PHI    -315.0   -45.0
  11 HIS   PHI    -185.0    75.0
  11 HIS   CHI1   -205.0   -25.0
  11 HIS   PSI     -85.0   195.0
  12 GLN   PHI    -315.0   -45.0
  12 GLN   PHI    -185.0    75.0
  12 GLN   CHI1   -335.0   -25.0
  12 GLN   CHI1   -205.0    95.0
  12 GLN   CHI2   -345.0   -15.0
  12 GLN   PSI     -85.0   195.0
  13 LYS   PHI    -315.0   -45.0
  13 LYS   PHI    -185.0    75.0
  13 LYS   CHI1   -335.0   -25.0
  13 LYS   CHI1   -205.0    95.0
  13 LYS   CHI2   -325.0   -35.0
  13 LYS   PSI     -85.0   205.0
  14 ARG   PHI    -315.0   -45.0
  14 ARG   PHI    -185.0    75.0
  14 ARG   CHI1   -335.0   -25.0
  14 ARG   CHI1   -205.0    95.0
  14 ARG   CHI2   -325.0   -35.0
  14 ARG   PSI     -85.0   205.0
  16 ALA   PHI    -315.0   -45.0
  16 ALA   PHI    -185.0    75.0
  16 ALA   PSI     -85.0   135.0
  17 TYR   PHI    -315.0   -45.0
  17 TYR   PHI    -185.0    75.0
  17 TYR   CHI1   -335.0   -25.0
  17 TYR   CHI1   -205.0    95.0
  17 TYR   CHI2   -335.0   -25.0
  17 TYR   CHI2   -155.0   155.0
  17 TYR   PSI     -85.0   105.0
  18 SER   PHI    -185.0   -45.0
  18 SER   PSI     -85.0    15.0
  20 LEU   PHI    -185.0   -45.0
  20 LEU   CHI1     15.0   335.0
  20 LEU   CHI1   -315.0    35.0
  20 LEU   CHI1   -215.0    55.0
  20 LEU   CHI2   -325.0   -35.0
  20 LEU   CHI2    -95.0   205.0
  20 LEU   PSI     -85.0    -5.0
  21 GLY   PHI    -315.0   -45.0
  21 GLY   PSI    -125.0   125.0
  22 LEU   PHI    -315.0   -45.0
  22 LEU   PHI    -185.0    75.0
  22 LEU   CHI1   -355.0    -5.0
  22 LEU   CHI1   -215.0   105.0
  22 LEU   CHI2   -325.0   -35.0
  22 LEU   CHI2    -95.0   205.0
  22 LEU   PSI     -85.0   115.0
  23 LYS   PHI    -315.0   -45.0
  23 LYS   PHI    -185.0    75.0
  23 LYS   CHI1   -335.0   -25.0
  23 LYS   CHI1   -205.0    95.0
  23 LYS   CHI2   -325.0   -35.0
  23 LYS   PSI     -85.0   195.0
  24 ASP   PHI    -315.0   -45.0
  24 ASP   PHI    -185.0    75.0
  24 ASP   CHI1   -225.0   115.0
  24 ASP   PSI     -85.0   205.0
  25 GLN   PHI    -315.0   -45.0
  25 GLN   PHI    -185.0    75.0
  25 GLN   CHI1   -335.0   -25.0
  25 GLN   CHI1   -205.0    95.0
  25 GLN   CHI2   -345.0   -15.0
  25 GLN   PSI     -85.0   195.0
  26 VAL   PHI    -315.0   -45.0
  26 VAL   PHI    -185.0    75.0
  26 VAL   CHI1   -315.0   -45.0
  26 VAL   CHI1   -195.0    85.0
  26 VAL   CHI1    -95.0   205.0
  26 VAL   PSI     -85.0   195.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           H1       ACE   1  -4.360  19.691   9.392
    2    H2   ACE   1           H2       ACE   1  -4.934  19.045   7.835
    3    H3   ACE   1           H3       ACE   1  -4.111  17.974   8.995
    4    H    LYS   2           H        LYS   2  -1.903  18.343   9.441
    5    HA   LYS   2           HA       LYS   2  -0.489  19.637   7.202
    6    HB2  LYS   2           HB2      LYS   2  -0.333  20.602   9.656
    7    HB3  LYS   2           HB3      LYS   2   0.823  19.294   9.867
    8    HG2  LYS   2           HG2      LYS   2   2.215  20.160   8.120
    9    HG3  LYS   2           HG3      LYS   2   1.009  21.379   7.702
   10    HD2  LYS   2           HD2      LYS   2   1.292  22.419   9.894
   11    HD3  LYS   2           HD3      LYS   2   2.477  21.186  10.334
   12    HE2  LYS   2           HE2      LYS   2   3.774  23.013   9.674
   13    HE3  LYS   2           HE3      LYS   2   3.766  21.962   8.260
   14    HZ1  LYS   2           HZ1      LYS   2   1.996  24.315   8.648
   15    HZ2  LYS   2           HZ2      LYS   2   2.053  23.328   7.276
   16    HZ3  LYS   2           HZ3      LYS   2   3.385  24.289   7.681
   17    H    ARG   3           H        ARG   3  -1.399  16.885   7.390
   18    HA   ARG   3           HA       ARG   3   0.748  15.172   8.088
   19    HB2  ARG   3           HB2      ARG   3  -1.764  14.846   6.481
   20    HB3  ARG   3           HB3      ARG   3  -0.559  13.564   6.507
   21    HG2  ARG   3           HG2      ARG   3  -0.736  13.777   9.077
   22    HG3  ARG   3           HG3      ARG   3  -2.255  14.607   8.733
   23    HD2  ARG   3           HD2      ARG   3  -3.246  12.632   8.520
   24    HD3  ARG   3           HD3      ARG   3  -2.216  12.295   7.128
   25    HE   ARG   3           HE       ARG   3  -0.647  11.652   9.240
   26   HH11  ARG   3          HH11      ARG   3  -3.790   9.183   9.015
   27   HH12  ARG   3          HH12      ARG   3  -3.871  10.752   8.284
   28   HH21  ARG   3          HH21      ARG   3  -1.889   8.523  10.109
   29   HH22  ARG   3          HH22      ARG   3  -0.529   9.590  10.206
   30    H    ILE   4           H        ILE   4   2.436  14.411   6.928
   31    HA   ILE   4           HA       ILE   4   2.736  15.432   4.181
   32    HB   ILE   4           HB       ILE   4   4.900  14.802   6.191
   33   HG12  ILE   4          HG12      ILE   4   3.648  16.893   6.640
   34   HG13  ILE   4          HG13      ILE   4   5.325  17.197   6.198
   35   HG21  ILE   4          HG21      ILE   4   5.943  14.318   4.207
   36   HG22  ILE   4          HG22      ILE   4   4.956  15.451   3.286
   37   HG23  ILE   4          HG23      ILE   4   6.253  16.051   4.321
   38   HD11  ILE   4          HD11      ILE   4   3.835  18.788   5.140
   39   HD12  ILE   4          HD12      ILE   4   4.618  17.767   3.934
   40   HD13  ILE   4          HD13      ILE   4   2.940  17.470   4.385
   41    H    GLY   5           H        GLY   5   3.013  14.005   2.578
   42    HA2  GLY   5           HA2      GLY   5   3.774  12.034   1.555
   43    HA3  GLY   5           HA3      GLY   5   4.065  11.347   3.147
   44    H    VAL   6           H        VAL   6   1.297  12.541   1.238
   45    HA   VAL   6           HA       VAL   6  -0.159  10.106   2.035
   46    HB   VAL   6           HB       VAL   6  -1.411  12.819   1.604
   47   HG11  VAL   6          HG11      VAL   6  -3.315  11.591   2.841
   48   HG12  VAL   6          HG12      VAL   6  -3.055  11.244   1.130
   49   HG13  VAL   6          HG13      VAL   6  -2.470  10.121   2.359
   50   HG21  VAL   6          HG21      VAL   6  -1.854  12.422   4.175
   51   HG22  VAL   6          HG22      VAL   6  -0.371  11.477   4.047
   52   HG23  VAL   6          HG23      VAL   6  -0.367  13.184   3.607
   53    H    ARG   7           H        ARG   7   0.640   9.205   0.025
   54    HA   ARG   7           HA       ARG   7   0.418   8.586  -2.151
   55    HB2  ARG   7           HB2      ARG   7  -2.225  10.045  -1.982
   56    HB3  ARG   7           HB3      ARG   7  -1.774   8.845  -3.185
   57    HG2  ARG   7           HG2      ARG   7  -1.881   8.237  -0.246
   58    HG3  ARG   7           HG3      ARG   7  -3.271   8.055  -1.318
   59    HD2  ARG   7           HD2      ARG   7  -2.512   5.989  -1.696
   60    HD3  ARG   7           HD3      ARG   7  -1.270   6.759  -2.683
   61    HE   ARG   7           HE       ARG   7   0.265   6.126  -1.125
   62   HH11  ARG   7          HH11      ARG   7  -2.309   5.543   1.887
   63   HH12  ARG   7          HH12      ARG   7  -2.876   6.177   0.377
   64   HH21  ARG   7          HH21      ARG   7  -0.090   5.041   2.159
   65   HH22  ARG   7          HH22      ARG   7   1.024   5.291   0.857
   66    H    LEU   8           H        LEU   8   2.164   9.961  -2.764
   67    HA   LEU   8           HA       LEU   8   1.730  12.645  -3.625
   68    HB2  LEU   8           HB2      LEU   8   3.985  10.698  -3.791
   69    HB3  LEU   8           HB3      LEU   8   4.035  12.164  -4.767
   70    HG   LEU   8           HG       LEU   8   5.302  12.396  -2.683
   71   HD11  LEU   8          HD11      LEU   8   2.809  14.090  -2.770
   72   HD12  LEU   8          HD12      LEU   8   4.283  14.365  -3.697
   73   HD13  LEU   8          HD13      LEU   8   4.311  14.495  -1.939
   74   HD21  LEU   8          HD21      LEU   8   2.642  12.051  -1.304
   75   HD22  LEU   8          HD22      LEU   8   4.186  12.418  -0.535
   76   HD23  LEU   8          HD23      LEU   8   3.940  10.857  -1.321
   77    HA   PRO   9           HA       PRO   9   0.415  12.136  -7.781
   78    HB2  PRO   9           HB2      PRO   9   1.771  14.110  -9.058
   79    HB3  PRO   9           HB3      PRO   9   0.422  14.426  -7.959
   80    HG2  PRO   9           HG2      PRO   9   3.366  14.588  -7.440
   81    HG3  PRO   9           HG3      PRO   9   2.079  15.703  -6.945
   82    HD2  PRO   9           HD2      PRO   9   3.146  13.869  -5.263
   83    HD3  PRO   9           HD3      PRO   9   1.450  14.383  -5.164
   84    H    GLY  10           H        GLY  10   3.822  12.007  -7.076
   85    HA2  GLY  10           HA2      GLY  10   4.407   9.821  -8.640
   86    HA3  GLY  10           HA3      GLY  10   4.670  11.206  -9.689
   87    H    HIS  11           H        HIS  11   6.325  12.697  -9.180
   88    HA   HIS  11           HA       HIS  11   8.445  13.249  -8.560
   89    HB2  HIS  11           HB2      HIS  11   7.467  12.021  -5.979
   90    HB3  HIS  11           HB3      HIS  11   9.005  12.865  -6.131
   91    HD1  HIS  11           HD1      HIS  11   5.338  13.621  -6.844
   92    HD2  HIS  11           HD2      HIS  11   8.801  15.478  -5.494
   93    HE1  HIS  11           HE1      HIS  11   4.657  15.969  -6.255
   94    H    GLN  12           H        GLN  12   8.027  10.701  -9.868
   95    HA   GLN  12           HA       GLN  12  10.070   8.993  -8.651
   96    HB2  GLN  12           HB2      GLN  12   7.666   8.405  -9.902
   97    HB3  GLN  12           HB3      GLN  12   8.871   8.014 -11.121
   98    HG2  GLN  12           HG2      GLN  12  10.029   6.597  -9.459
   99    HG3  GLN  12           HG3      GLN  12   8.722   6.922  -8.322
  100   HE21  GLN  12          HE21      GLN  12   9.129   5.880 -11.694
  101   HE22  GLN  12          HE22      GLN  12   7.944   4.625 -11.627
  102    H    LYS  13           H        LYS  13   9.288  10.565 -11.735
  103    HA   LYS  13           HA       LYS  13  11.694   9.808 -13.037
  104    HB2  LYS  13           HB2      LYS  13  11.073  11.599 -14.669
  105    HB3  LYS  13           HB3      LYS  13   9.799  10.424 -14.372
  106    HG2  LYS  13           HG2      LYS  13   8.411  12.060 -13.849
  107    HG3  LYS  13           HG3      LYS  13   9.468  12.545 -12.521
  108    HD2  LYS  13           HD2      LYS  13  10.450  14.214 -13.734
  109    HD3  LYS  13           HD3      LYS  13  10.223  13.379 -15.272
  110    HE2  LYS  13           HE2      LYS  13   7.874  14.426 -13.739
  111    HE3  LYS  13           HE3      LYS  13   8.825  15.499 -14.764
  112    HZ1  LYS  13           HZ1      LYS  13   7.919  12.972 -15.919
  113    HZ2  LYS  13           HZ2      LYS  13   8.113  14.485 -16.649
  114    HZ3  LYS  13           HZ3      LYS  13   6.759  14.180 -15.682
  115    H    ARG  14           H        ARG  14  10.838  12.394 -10.885
  116    HA   ARG  14           HA       ARG  14  13.242  13.912 -11.486
  117    HB2  ARG  14           HB2      ARG  14  10.898  14.856 -10.847
  118    HB3  ARG  14           HB3      ARG  14  11.394  14.501  -9.198
  119    HG2  ARG  14           HG2      ARG  14  13.363  15.933  -9.493
  120    HG3  ARG  14           HG3      ARG  14  12.828  16.310 -11.132
  121    HD2  ARG  14           HD2      ARG  14  10.629  16.788  -9.445
  122    HD3  ARG  14           HD3      ARG  14  12.032  17.490  -8.642
  123    HE   ARG  14           HE       ARG  14  10.737  18.469 -10.979
  124   HH11  ARG  14          HH11      ARG  14  14.508  19.575 -10.213
  125   HH12  ARG  14          HH12      ARG  14  13.840  18.184  -9.425
  126   HH21  ARG  14          HH21      ARG  14  13.237  20.780 -11.688
  127   HH22  ARG  14          HH22      ARG  14  11.607  20.304 -12.022
  128    H    MK8  15           H2       MK8  15  12.153  11.468  -9.166
  129    HB   MK8  15           HB       MK8  15  12.206   9.897  -7.154
  130    HBA  MK8  15           HBA      MK8  15  13.313   9.139  -8.254
  131    HD   MK8  15           HD       MK8  15  16.070   9.765  -6.293
  132    HDA  MK8  15           HDA      MK8  15  15.774   8.396  -5.273
  133    HE   MK8  15           HE       MK8  15  15.062   7.250  -7.675
  134    HG   MK8  15           HG       MK8  15  13.765   9.707  -5.275
  135    HGA  MK8  15           HGA      MK8  15  13.462   8.169  -6.012
  136    HB1  MK8  15           HB1      MK8  15  14.508  11.816  -5.791
  137   HB1A  MK8  15          HB1A      MK8  15  13.975  13.182  -6.759
  138   HB1B  MK8  15          HB1B      MK8  15  12.781  12.108  -6.048
  139    H    ALA  16           H        ALA  16  14.321  10.058  -9.875
  140    HA   ALA  16           HA       ALA  16  16.971   9.334  -9.706
  141    HB1  ALA  16           HB1      ALA  16  16.571   9.881 -12.411
  142    HB2  ALA  16           HB2      ALA  16  16.312   8.345 -11.584
  143    HB3  ALA  16           HB3      ALA  16  14.973   9.478 -11.780
  144    H    TYR  17           H        TYR  17  15.622  12.325 -11.066
  145    HA   TYR  17           HA       TYR  17  18.064  13.430 -11.919
  146    HB2  TYR  17           HB2      TYR  17  15.716  14.183 -12.542
  147    HB3  TYR  17           HB3      TYR  17  15.672  15.019 -10.994
  148    HD1  TYR  17           HD1      TYR  17  16.427  15.354 -14.401
  149    HD2  TYR  17           HD2      TYR  17  17.743  16.613 -10.556
  150    HE1  TYR  17           HE1      TYR  17  17.545  17.291 -15.426
  151    HE2  TYR  17           HE2      TYR  17  18.863  18.555 -11.570
  152    HH   TYR  17           HH       TYR  17  18.438  19.929 -13.877
  153    H    SER  18           H        SER  18  16.222  13.879  -8.915
  154    HA   SER  18           HA       SER  18  17.873  15.751  -7.691
  155    HB2  SER  18           HB2      SER  18  15.572  14.668  -6.960
  156    HB3  SER  18           HB3      SER  18  16.622  13.605  -6.024
  157    HG   SER  18           HG       SER  18  17.045  15.193  -4.708
  158    H    MK8  19           H2       MK8  19  18.257  12.231  -8.004
  159    HB   MK8  19           HB       MK8  19  20.058  10.277  -8.759
  160    HBA  MK8  19           HBA      MK8  19  20.795   9.691  -7.302
  161    HD   MK8  19           HD       MK8  19  19.028   8.021  -8.579
  162    HDA  MK8  19           HDA      MK8  19  19.048   7.535  -6.912
  163    HE   MK8  19           HE       MK8  19  17.102   6.783  -8.599
  164    HG   MK8  19           HG       MK8  19  18.425   9.754  -6.189
  165    HGA  MK8  19           HGA      MK8  19  17.848  10.161  -7.797
  166    HB1  MK8  19           HB1      MK8  19  19.572  11.290  -5.099
  167   HB1A  MK8  19          HB1A      MK8  19  21.281  10.997  -5.438
  168   HB1B  MK8  19          HB1B      MK8  19  20.684  12.622  -5.213
  169    H    LEU  20           H        LEU  20  20.265  12.650  -9.509
  170    HA   LEU  20           HA       LEU  20  22.915  12.918 -10.212
  171    HB2  LEU  20           HB2      LEU  20  20.641  13.233 -11.535
  172    HB3  LEU  20           HB3      LEU  20  20.991  14.935 -11.246
  173    HG   LEU  20           HG       LEU  20  21.765  14.271 -13.442
  174   HD11  LEU  20          HD11      LEU  20  23.952  15.151 -13.335
  175   HD12  LEU  20          HD12      LEU  20  24.184  14.580 -11.683
  176   HD13  LEU  20          HD13      LEU  20  23.062  15.899 -12.009
  177   HD21  LEU  20          HD21      LEU  20  22.117  11.846 -12.724
  178   HD22  LEU  20          HD22      LEU  20  23.697  12.372 -12.144
  179   HD23  LEU  20          HD23      LEU  20  23.285  12.534 -13.852
  180    H    GLY  21           H        GLY  21  20.766  15.495  -9.001
  181    HA2  GLY  21           HA2      GLY  21  22.858  17.429  -8.843
  182    HA3  GLY  21           HA3      GLY  21  21.257  17.573  -8.133
  183    H    LEU  22           H        LEU  22  22.262  14.741  -6.973
  184    HA   LEU  22           HA       LEU  22  23.708  15.932  -4.701
  185    HB2  LEU  22           HB2      LEU  22  21.121  14.956  -4.635
  186    HB3  LEU  22           HB3      LEU  22  22.087  13.624  -4.004
  187    HG   LEU  22           HG       LEU  22  21.305  14.912  -2.157
  188   HD11  LEU  22          HD11      LEU  22  24.179  15.676  -2.642
  189   HD12  LEU  22          HD12      LEU  22  23.644  14.090  -2.086
  190   HD13  LEU  22          HD13      LEU  22  23.367  15.516  -1.085
  191   HD21  LEU  22          HD21      LEU  22  22.213  17.232  -3.805
  192   HD22  LEU  22          HD22      LEU  22  22.169  17.369  -2.048
  193   HD23  LEU  22          HD23      LEU  22  20.695  16.992  -2.940
  194    H    LYS  23           H        LYS  23  24.734  14.530  -7.034
  195    HA   LYS  23           HA       LYS  23  26.082  12.335  -5.625
  196    HB2  LYS  23           HB2      LYS  23  24.470  11.228  -7.018
  197    HB3  LYS  23           HB3      LYS  23  24.895  12.230  -8.400
  198    HG2  LYS  23           HG2      LYS  23  26.758  11.027  -8.880
  199    HG3  LYS  23           HG3      LYS  23  27.052  10.598  -7.193
  200    HD2  LYS  23           HD2      LYS  23  25.069   9.079  -7.321
  201    HD3  LYS  23           HD3      LYS  23  24.996   9.412  -9.053
  202    HE2  LYS  23           HE2      LYS  23  26.756   8.086  -9.505
  203    HE3  LYS  23           HE3      LYS  23  27.640   8.605  -8.069
  204    HZ1  LYS  23           HZ1      LYS  23  27.042   6.258  -7.976
  205    HZ2  LYS  23           HZ2      LYS  23  25.402   6.653  -8.091
  206    HZ3  LYS  23           HZ3      LYS  23  26.292   7.128  -6.734
  207    H    ASP  24           H        ASP  24  26.114  14.289  -8.605
  208    HA   ASP  24           HA       ASP  24  28.840  13.948  -9.175
  209    HB2  ASP  24           HB2      ASP  24  26.670  15.314 -10.320
  210    HB3  ASP  24           HB3      ASP  24  27.889  16.548 -10.007
  211    H    GLN  25           H        GLN  25  27.167  16.125  -7.020
  212    HA   GLN  25           HA       GLN  25  29.389  17.880  -6.604
  213    HB2  GLN  25           HB2      GLN  25  26.842  18.290  -6.204
  214    HB3  GLN  25           HB3      GLN  25  27.150  17.555  -4.635
  215    HG2  GLN  25           HG2      GLN  25  29.168  19.470  -5.025
  216    HG3  GLN  25           HG3      GLN  25  27.653  20.226  -5.514
  217   HE21  GLN  25          HE21      GLN  25  25.824  19.920  -3.955
  218   HE22  GLN  25          HE22      GLN  25  26.196  20.043  -2.272
  219    H    VAL  26           H        VAL  26  27.780  15.580  -4.396
  220    HA   VAL  26           HA       VAL  26  29.688  15.599  -2.390
  221    HB   VAL  26           HB       VAL  26  28.038  13.210  -3.225
  222   HG11  VAL  26          HG11      VAL  26  29.536  13.930  -0.729
  223   HG12  VAL  26          HG12      VAL  26  28.169  12.812  -0.687
  224   HG13  VAL  26          HG13      VAL  26  29.589  12.436  -1.664
  225   HG21  VAL  26          HG21      VAL  26  26.801  14.417  -1.068
  226   HG22  VAL  26          HG22      VAL  26  27.282  15.774  -2.086
  227   HG23  VAL  26          HG23      VAL  26  26.272  14.489  -2.748
  228    HN1  NH2  27           HN1      NH2  27  29.529  13.610  -5.330
  229    HN2  NH2  27           HN2      NH2  27  31.131  12.962  -5.208
  Start of MODEL    2
    1    H1   ACE   1           H1       ACE   1 -12.467  -0.488  -3.547
    2    H2   ACE   1           H2       ACE   1 -11.368   0.553  -2.611
    3    H3   ACE   1           H3       ACE   1 -13.123   0.637  -2.333
    4    H    LYS   2           H        LYS   2 -13.418   2.720  -2.817
    5    HA   LYS   2           HA       LYS   2 -13.450   3.396  -5.629
    6    HB2  LYS   2           HB2      LYS   2 -14.748   4.345  -3.193
    7    HB3  LYS   2           HB3      LYS   2 -14.227   5.661  -4.236
    8    HG2  LYS   2           HG2      LYS   2 -16.128   5.363  -5.342
    9    HG3  LYS   2           HG3      LYS   2 -15.412   3.883  -5.984
   10    HD2  LYS   2           HD2      LYS   2 -17.281   2.960  -5.094
   11    HD3  LYS   2           HD3      LYS   2 -16.296   2.956  -3.630
   12    HE2  LYS   2           HE2      LYS   2 -17.316   4.984  -2.865
   13    HE3  LYS   2           HE3      LYS   2 -18.163   5.194  -4.397
   14    HZ1  LYS   2           HZ1      LYS   2 -18.883   2.699  -3.474
   15    HZ2  LYS   2           HZ2      LYS   2 -19.843   4.091  -3.497
   16    HZ3  LYS   2           HZ3      LYS   2 -18.945   3.705  -2.116
   17    H    ARG   3           H        ARG   3 -12.241   4.940  -6.646
   18    HA   ARG   3           HA       ARG   3  -9.773   5.697  -5.332
   19    HB2  ARG   3           HB2      ARG   3  -9.024   6.402  -7.503
   20    HB3  ARG   3           HB3      ARG   3  -9.831   4.849  -7.677
   21    HG2  ARG   3           HG2      ARG   3 -11.915   6.304  -8.240
   22    HG3  ARG   3           HG3      ARG   3 -10.713   7.553  -8.572
   23    HD2  ARG   3           HD2      ARG   3  -9.645   6.172 -10.215
   24    HD3  ARG   3           HD3      ARG   3 -10.661   4.797  -9.787
   25    HE   ARG   3           HE       ARG   3 -12.240   7.002 -10.612
   26   HH11  ARG   3          HH11      ARG   3 -10.937   4.424 -13.384
   27   HH12  ARG   3          HH12      ARG   3 -10.169   4.483 -11.832
   28   HH21  ARG   3          HH21      ARG   3 -12.694   5.820 -13.850
   29   HH22  ARG   3          HH22      ARG   3 -13.258   6.934 -12.651
   30    H    ILE   4           H        ILE   4  -9.166   7.722  -4.740
   31    HA   ILE   4           HA       ILE   4 -11.229   9.811  -4.920
   32    HB   ILE   4           HB       ILE   4  -8.931   9.642  -2.969
   33   HG12  ILE   4          HG12      ILE   4 -11.221   9.384  -1.497
   34   HG13  ILE   4          HG13      ILE   4 -11.641   8.491  -2.955
   35   HG21  ILE   4          HG21      ILE   4 -10.978  11.666  -3.566
   36   HG22  ILE   4          HG22      ILE   4 -10.756  11.298  -1.857
   37   HG23  ILE   4          HG23      ILE   4  -9.388  11.841  -2.827
   38   HD11  ILE   4          HD11      ILE   4 -10.712   6.803  -1.782
   39   HD12  ILE   4          HD12      ILE   4  -9.235   7.441  -2.505
   40   HD13  ILE   4          HD13      ILE   4  -9.665   7.875  -0.852
   41    H    GLY   5           H        GLY   5  -7.949   9.000  -5.701
   42    HA2  GLY   5           HA2      GLY   5  -7.523  10.741  -7.718
   43    HA3  GLY   5           HA3      GLY   5  -7.178  11.725  -6.303
   44    H    VAL   6           H        VAL   6  -5.790   9.866  -8.613
   45    HA   VAL   6           HA       VAL   6  -3.686   8.765  -6.908
   46    HB   VAL   6           HB       VAL   6  -3.998   8.530  -9.904
   47   HG11  VAL   6          HG11      VAL   6  -2.193   7.201  -7.901
   48   HG12  VAL   6          HG12      VAL   6  -2.504   6.517  -9.497
   49   HG13  VAL   6          HG13      VAL   6  -1.748   8.104  -9.348
   50   HG21  VAL   6          HG21      VAL   6  -4.757   6.534  -7.775
   51   HG22  VAL   6          HG22      VAL   6  -5.899   7.549  -8.655
   52   HG23  VAL   6          HG23      VAL   6  -4.943   6.345  -9.519
   53    H    ARG   7           H        ARG   7  -3.029  11.010  -6.345
   54    HA   ARG   7           HA       ARG   7  -0.971  11.908  -8.217
   55    HB2  ARG   7           HB2      ARG   7  -3.167  13.624  -7.078
   56    HB3  ARG   7           HB3      ARG   7  -1.641  14.311  -7.619
   57    HG2  ARG   7           HG2      ARG   7  -3.208  12.553  -9.451
   58    HG3  ARG   7           HG3      ARG   7  -3.676  14.239  -9.226
   59    HD2  ARG   7           HD2      ARG   7  -2.232  14.545 -10.943
   60    HD3  ARG   7           HD3      ARG   7  -1.055  14.572  -9.629
   61    HE   ARG   7           HE       ARG   7  -1.539  11.949 -10.705
   62   HH11  ARG   7          HH11      ARG   7   1.624  14.118 -11.854
   63   HH12  ARG   7          HH12      ARG   7   0.310  14.882 -11.022
   64   HH21  ARG   7          HH21      ARG   7   1.551  11.872 -12.295
   65   HH22  ARG   7          HH22      ARG   7   0.185  10.932 -11.799
   66    H    LEU   8           H        LEU   8   0.335  10.779  -6.610
   67    HA   LEU   8           HA       LEU   8   0.546  12.066  -4.002
   68    HB2  LEU   8           HB2      LEU   8   1.640   9.554  -5.202
   69    HB3  LEU   8           HB3      LEU   8   2.363  10.231  -3.745
   70    HG   LEU   8           HG       LEU   8   0.807   8.473  -3.169
   71   HD11  LEU   8          HD11      LEU   8   1.017  10.453  -1.696
   72   HD12  LEU   8          HD12      LEU   8  -0.551   9.655  -1.577
   73   HD13  LEU   8          HD13      LEU   8  -0.393  11.153  -2.493
   74   HD21  LEU   8          HD21      LEU   8  -1.371  10.122  -4.436
   75   HD22  LEU   8          HD22      LEU   8  -1.501   8.505  -3.740
   76   HD23  LEU   8          HD23      LEU   8  -0.597   8.753  -5.235
   77    HA   PRO   9           HA       PRO   9   4.096  14.480  -4.906
   78    HB2  PRO   9           HB2      PRO   9   5.516  14.275  -2.601
   79    HB3  PRO   9           HB3      PRO   9   4.023  15.213  -2.729
   80    HG2  PRO   9           HG2      PRO   9   4.440  12.452  -1.649
   81    HG3  PRO   9           HG3      PRO   9   3.449  13.772  -0.998
   82    HD2  PRO   9           HD2      PRO   9   2.391  11.716  -2.408
   83    HD3  PRO   9           HD3      PRO   9   1.711  13.354  -2.454
   84    H    GLY  10           H        GLY  10   4.510  11.157  -3.962
   85    HA2  GLY  10           HA2      GLY  10   7.334  11.069  -4.539
   86    HA3  GLY  10           HA3      GLY  10   6.294   9.696  -4.192
   87    H    HIS  11           H        HIS  11   8.031  11.305  -6.563
   88    HA   HIS  11           HA       HIS  11   6.531   9.965  -8.715
   89    HB2  HIS  11           HB2      HIS  11   8.390  12.348  -8.840
   90    HB3  HIS  11           HB3      HIS  11   7.672  11.569 -10.248
   91    HD1  HIS  11           HD1      HIS  11   5.980  12.547  -6.990
   92    HD2  HIS  11           HD2      HIS  11   5.833  13.395 -11.055
   93    HE1  HIS  11           HE1      HIS  11   4.003  14.072  -7.288
   94    H    GLN  12           H        GLN  12   7.730   8.906 -10.383
   95    HA   GLN  12           HA       GLN  12  10.296   7.852  -9.413
   96    HB2  GLN  12           HB2      GLN  12   8.544   6.652 -11.555
   97    HB3  GLN  12           HB3      GLN  12   9.877   5.884 -10.702
   98    HG2  GLN  12           HG2      GLN  12   8.360   6.404  -8.603
   99    HG3  GLN  12           HG3      GLN  12   7.088   6.372  -9.824
  100   HE21  GLN  12          HE21      GLN  12   8.076   4.553  -7.543
  101   HE22  GLN  12          HE22      GLN  12   8.071   2.984  -8.264
  102    H    LYS  13           H        LYS  13  10.184  10.384 -10.695
  103    HA   LYS  13           HA       LYS  13  11.801   9.786 -13.074
  104    HB2  LYS  13           HB2      LYS  13   9.397  10.616 -13.556
  105    HB3  LYS  13           HB3      LYS  13   9.979  12.176 -12.990
  106    HG2  LYS  13           HG2      LYS  13  11.458  12.412 -14.767
  107    HG3  LYS  13           HG3      LYS  13  11.430  10.688 -15.142
  108    HD2  LYS  13           HD2      LYS  13   8.975  11.007 -15.720
  109    HD3  LYS  13           HD3      LYS  13   9.292  12.743 -15.655
  110    HE2  LYS  13           HE2      LYS  13   9.883  12.578 -17.799
  111    HE3  LYS  13           HE3      LYS  13  11.340  11.766 -17.229
  112    HZ1  LYS  13           HZ1      LYS  13   8.912  10.171 -17.625
  113    HZ2  LYS  13           HZ2      LYS  13  10.534   9.722 -17.791
  114    HZ3  LYS  13           HZ3      LYS  13   9.787  10.653 -18.991
  115    H    ARG  14           H        ARG  14  10.767  12.678 -11.256
  116    HA   ARG  14           HA       ARG  14  13.240  14.000 -11.523
  117    HB2  ARG  14           HB2      ARG  14  10.877  14.909 -10.881
  118    HB3  ARG  14           HB3      ARG  14  11.382  14.544  -9.236
  119    HG2  ARG  14           HG2      ARG  14  13.310  16.013  -9.490
  120    HG3  ARG  14           HG3      ARG  14  12.827  16.364 -11.150
  121    HD2  ARG  14           HD2      ARG  14  11.149  17.746 -10.512
  122    HD3  ARG  14           HD3      ARG  14  10.773  16.796  -9.075
  123    HE   ARG  14           HE       ARG  14  13.258  18.051  -8.718
  124   HH11  ARG  14          HH11      ARG  14   9.996  20.237  -7.945
  125   HH12  ARG  14          HH12      ARG  14   9.871  18.827  -8.943
  126   HH21  ARG  14          HH21      ARG  14  12.021  20.851  -7.070
  127   HH22  ARG  14          HH22      ARG  14  13.433  19.907  -7.403
  128    H    MK8  15           H2       MK8  15  12.096  11.579  -9.185
  129    HB   MK8  15           HB       MK8  15  12.153   9.960  -7.245
  130    HBA  MK8  15           HBA      MK8  15  13.222   9.210  -8.390
  131    HD   MK8  15           HD       MK8  15  16.004   9.739  -6.386
  132    HDA  MK8  15           HDA      MK8  15  15.700   8.319  -5.438
  133    HE   MK8  15           HE       MK8  15  15.027   7.323  -7.938
  134    HG   MK8  15           HG       MK8  15  13.698   9.640  -5.393
  135    HGA  MK8  15           HGA      MK8  15  13.394   8.137  -6.204
  136    HB1  MK8  15           HB1      MK8  15  14.021  13.182  -6.779
  137   HB1A  MK8  15          HB1A      MK8  15  12.770  12.146  -6.103
  138   HB1B  MK8  15          HB1B      MK8  15  14.478  11.773  -5.836
  139    H    ALA  16           H        ALA  16  14.301  10.103  -9.949
  140    HA   ALA  16           HA       ALA  16  16.948   9.373  -9.780
  141    HB1  ALA  16           HB1      ALA  16  15.246   8.710 -11.535
  142    HB2  ALA  16           HB2      ALA  16  15.670  10.206 -12.370
  143    HB3  ALA  16           HB3      ALA  16  16.897   8.968 -12.101
  144    H    TYR  17           H        TYR  17  15.613  12.380 -11.113
  145    HA   TYR  17           HA       TYR  17  18.059  13.484 -11.954
  146    HB2  TYR  17           HB2      TYR  17  15.723  14.257 -12.578
  147    HB3  TYR  17           HB3      TYR  17  15.666  15.067 -11.017
  148    HD1  TYR  17           HD1      TYR  17  16.455  15.454 -14.413
  149    HD2  TYR  17           HD2      TYR  17  17.724  16.660 -10.535
  150    HE1  TYR  17           HE1      TYR  17  17.580  17.408 -15.396
  151    HE2  TYR  17           HE2      TYR  17  18.852  18.617 -11.508
  152    HH   TYR  17           HH       TYR  17  19.232  19.795 -13.354
  153    H    SER  18           H        SER  18  16.215  13.913  -8.947
  154    HA   SER  18           HA       SER  18  17.875  15.765  -7.704
  155    HB2  SER  18           HB2      SER  18  15.576  14.810  -6.961
  156    HB3  SER  18           HB3      SER  18  16.532  13.572  -6.145
  157    HG   SER  18           HG       SER  18  17.077  16.316  -5.784
  158    H    MK8  19           H2       MK8  19  18.230  12.242  -8.037
  159    HB   MK8  19           HB       MK8  19  20.077  10.278  -8.822
  160    HBA  MK8  19           HBA      MK8  19  20.756   9.690  -7.337
  161    HD   MK8  19           HD       MK8  19  19.105   7.949  -8.496
  162    HDA  MK8  19           HDA      MK8  19  18.893   7.597  -6.806
  163    HE   MK8  19           HE       MK8  19  17.123   6.875  -8.781
  164    HG   MK8  19           HG       MK8  19  18.331   9.857  -6.317
  165    HGA  MK8  19           HGA      MK8  19  17.848  10.173  -7.969
  166    HB1  MK8  19           HB1      MK8  19  19.546  11.232  -5.172
  167   HB1A  MK8  19          HB1A      MK8  19  21.270  11.005  -5.495
  168   HB1B  MK8  19          HB1B      MK8  19  20.607  12.607  -5.241
  169    H    LEU  20           H        LEU  20  20.265  12.689  -9.546
  170    HA   LEU  20           HA       LEU  20  22.919  12.959 -10.229
  171    HB2  LEU  20           HB2      LEU  20  20.661  13.301 -11.562
  172    HB3  LEU  20           HB3      LEU  20  21.004  14.999 -11.236
  173    HG   LEU  20           HG       LEU  20  21.798  14.388 -13.438
  174   HD11  LEU  20          HD11      LEU  20  23.892  15.369 -13.308
  175   HD12  LEU  20          HD12      LEU  20  24.271  14.599 -11.769
  176   HD13  LEU  20          HD13      LEU  20  23.110  15.924 -11.828
  177   HD21  LEU  20          HD21      LEU  20  22.134  11.949 -12.802
  178   HD22  LEU  20          HD22      LEU  20  23.699  12.444 -12.157
  179   HD23  LEU  20          HD23      LEU  20  23.341  12.668 -13.870
  180    H    GLY  21           H        GLY  21  20.774  15.527  -8.988
  181    HA2  GLY  21           HA2      GLY  21  22.870  17.450  -8.785
  182    HA3  GLY  21           HA3      GLY  21  21.266  17.585  -8.080
  183    H    LEU  22           H        LEU  22  22.253  14.731  -6.962
  184    HA   LEU  22           HA       LEU  22  23.716  15.869  -4.676
  185    HB2  LEU  22           HB2      LEU  22  21.109  15.001  -4.592
  186    HB3  LEU  22           HB3      LEU  22  22.009  13.592  -4.035
  187    HG   LEU  22           HG       LEU  22  23.012  15.847  -2.642
  188   HD11  LEU  22          HD11      LEU  22  20.014  15.635  -2.442
  189   HD12  LEU  22          HD12      LEU  22  20.862  16.917  -3.304
  190   HD13  LEU  22          HD13      LEU  22  21.074  16.738  -1.564
  191   HD21  LEU  22          HD21      LEU  22  21.664  13.282  -2.076
  192   HD22  LEU  22          HD22      LEU  22  21.596  14.500  -0.802
  193   HD23  LEU  22          HD23      LEU  22  23.157  13.954  -1.417
  194    H    LYS  23           H        LYS  23  24.761  14.506  -6.987
  195    HA   LYS  23           HA       LYS  23  25.896  12.137  -5.655
  196    HB2  LYS  23           HB2      LYS  23  24.647  12.389  -8.316
  197    HB3  LYS  23           HB3      LYS  23  26.182  11.530  -8.295
  198    HG2  LYS  23           HG2      LYS  23  24.336  10.701  -6.188
  199    HG3  LYS  23           HG3      LYS  23  23.740  10.416  -7.825
  200    HD2  LYS  23           HD2      LYS  23  26.537   9.639  -7.125
  201    HD3  LYS  23           HD3      LYS  23  25.198   8.612  -6.608
  202    HE2  LYS  23           HE2      LYS  23  24.609   8.065  -8.767
  203    HE3  LYS  23           HE3      LYS  23  25.323   9.527  -9.444
  204    HZ1  LYS  23           HZ1      LYS  23  27.204   7.733  -8.181
  205    HZ2  LYS  23           HZ2      LYS  23  27.314   8.554  -9.654
  206    HZ3  LYS  23           HZ3      LYS  23  26.451   7.101  -9.558
  207    H    ASP  24           H        ASP  24  26.371  14.721  -8.016
  208    HA   ASP  24           HA       ASP  24  29.166  14.208  -8.356
  209    HB2  ASP  24           HB2      ASP  24  27.314  15.627  -9.771
  210    HB3  ASP  24           HB3      ASP  24  28.193  16.921  -8.961
  211    H    GLN  25           H        GLN  25  27.275  16.609  -6.550
  212    HA   GLN  25           HA       GLN  25  29.421  18.071  -5.512
  213    HB2  GLN  25           HB2      GLN  25  26.828  18.479  -5.432
  214    HB3  GLN  25           HB3      GLN  25  26.943  17.639  -3.891
  215    HG2  GLN  25           HG2      GLN  25  28.868  19.831  -4.354
  216    HG3  GLN  25           HG3      GLN  25  27.177  20.283  -4.140
  217   HE21  GLN  25          HE21      GLN  25  26.100  19.515  -2.202
  218   HE22  GLN  25          HE22      GLN  25  27.019  19.312  -0.753
  219    H    VAL  26           H        VAL  26  27.792  15.179  -4.297
  220    HA   VAL  26           HA       VAL  26  29.095  15.038  -1.808
  221    HB   VAL  26           HB       VAL  26  28.041  12.751  -3.475
  222   HG11  VAL  26          HG11      VAL  26  29.122  11.588  -1.867
  223   HG12  VAL  26          HG12      VAL  26  29.149  12.951  -0.746
  224   HG13  VAL  26          HG13      VAL  26  27.684  11.983  -0.926
  225   HG21  VAL  26          HG21      VAL  26  26.121  13.095  -1.699
  226   HG22  VAL  26          HG22      VAL  26  26.726  14.751  -1.709
  227   HG23  VAL  26          HG23      VAL  26  26.152  14.013  -3.204
  228    HN1  NH2  27           HN1      NH2  27  29.823  13.409  -4.910
  229    HN2  NH2  27           HN2      NH2  27  31.474  13.043  -4.538
  Start of MODEL    3
    1    H1   ACE   1           H1       ACE   1  15.203  32.218 -15.874
    2    H2   ACE   1           H2       ACE   1  13.926  32.898 -14.837
    3    H3   ACE   1           H3       ACE   1  15.578  32.706 -14.203
    4    H    LYS   2           H        LYS   2  12.751  31.601 -13.650
    5    HA   LYS   2           HA       LYS   2  13.514  28.758 -13.551
    6    HB2  LYS   2           HB2      LYS   2  12.102  30.332 -11.391
    7    HB3  LYS   2           HB3      LYS   2  12.439  28.607 -11.343
    8    HG2  LYS   2           HG2      LYS   2  14.772  30.340 -11.794
    9    HG3  LYS   2           HG3      LYS   2  14.001  30.484 -10.212
   10    HD2  LYS   2           HD2      LYS   2  14.173  28.037  -9.940
   11    HD3  LYS   2           HD3      LYS   2  15.015  27.944 -11.489
   12    HE2  LYS   2           HE2      LYS   2  16.029  29.737  -9.317
   13    HE3  LYS   2           HE3      LYS   2  16.386  28.011  -9.283
   14    HZ1  LYS   2           HZ1      LYS   2  18.121  29.333 -10.385
   15    HZ2  LYS   2           HZ2      LYS   2  17.004  29.814 -11.560
   16    HZ3  LYS   2           HZ3      LYS   2  17.436  28.184 -11.421
   17    H    ARG   3           H        ARG   3  12.202  27.784 -14.964
   18    HA   ARG   3           HA       ARG   3   9.463  28.692 -15.308
   19    HB2  ARG   3           HB2      ARG   3  11.191  26.680 -16.731
   20    HB3  ARG   3           HB3      ARG   3   9.463  26.784 -17.035
   21    HG2  ARG   3           HG2      ARG   3   9.643  28.960 -17.913
   22    HG3  ARG   3           HG3      ARG   3  11.284  29.154 -17.294
   23    HD2  ARG   3           HD2      ARG   3  12.211  27.920 -18.972
   24    HD3  ARG   3           HD3      ARG   3  10.776  26.913 -19.169
   25    HE   ARG   3           HE       ARG   3   9.986  28.397 -20.724
   26   HH11  ARG   3          HH11      ARG   3  12.697  31.252 -19.994
   27   HH12  ARG   3          HH12      ARG   3  12.603  29.866 -18.957
   28   HH21  ARG   3          HH21      ARG   3  11.272  31.452 -21.776
   29   HH22  ARG   3          HH22      ARG   3  10.099  30.218 -22.094
   30    H    ILE   4           H        ILE   4   9.121  28.020 -12.963
   31    HA   ILE   4           HA       ILE   4   9.031  25.323 -12.196
   32    HB   ILE   4           HB       ILE   4   7.253  27.540 -11.175
   33   HG12  ILE   4          HG12      ILE   4   9.347  27.126  -9.378
   34   HG13  ILE   4          HG13      ILE   4  10.120  27.123 -10.959
   35   HG21  ILE   4          HG21      ILE   4   7.805  24.765 -10.334
   36   HG22  ILE   4          HG22      ILE   4   7.734  25.972  -9.052
   37   HG23  ILE   4          HG23      ILE   4   6.355  25.748 -10.128
   38   HD11  ILE   4          HD11      ILE   4   9.317  29.299 -11.443
   39   HD12  ILE   4          HD12      ILE   4   8.263  29.291 -10.028
   40   HD13  ILE   4          HD13      ILE   4  10.013  29.342  -9.823
   41    H    GLY   5           H        GLY   5   6.250  27.420 -12.997
   42    HA2  GLY   5           HA2      GLY   5   4.346  26.938 -14.219
   43    HA3  GLY   5           HA3      GLY   5   5.056  25.387 -14.640
   44    H    VAL   6           H        VAL   6   3.558  23.913 -14.142
   45    HA   VAL   6           HA       VAL   6   2.260  24.088 -11.503
   46    HB   VAL   6           HB       VAL   6   1.319  22.479 -13.877
   47   HG11  VAL   6          HG11      VAL   6   0.255  21.493 -12.122
   48   HG12  VAL   6          HG12      VAL   6   0.329  22.941 -11.118
   49   HG13  VAL   6          HG13      VAL   6  -0.864  22.825 -12.411
   50   HG21  VAL   6          HG21      VAL   6   0.808  24.486 -14.755
   51   HG22  VAL   6          HG22      VAL   6  -0.514  24.463 -13.585
   52   HG23  VAL   6          HG23      VAL   6   0.982  25.319 -13.211
   53    H    ARG   7           H        ARG   7   3.740  23.018 -10.240
   54    HA   ARG   7           HA       ARG   7   5.207  20.759 -10.865
   55    HB2  ARG   7           HB2      ARG   7   5.399  20.382  -8.456
   56    HB3  ARG   7           HB3      ARG   7   5.579  22.087  -8.843
   57    HG2  ARG   7           HG2      ARG   7   3.095  22.293  -8.281
   58    HG3  ARG   7           HG3      ARG   7   3.265  20.697  -7.546
   59    HD2  ARG   7           HD2      ARG   7   4.519  21.476  -5.823
   60    HD3  ARG   7           HD3      ARG   7   5.290  22.720  -6.806
   61    HE   ARG   7           HE       ARG   7   2.731  23.586  -6.581
   62   HH11  ARG   7          HH11      ARG   7   4.569  23.633  -3.025
   63   HH12  ARG   7          HH12      ARG   7   5.150  22.592  -4.283
   64   HH21  ARG   7          HH21      ARG   7   2.753  24.978  -3.396
   65   HH22  ARG   7          HH22      ARG   7   1.957  24.960  -4.933
   66    H    LEU   8           H        LEU   8   4.930  18.536 -10.449
   67    HA   LEU   8           HA       LEU   8   2.111  17.689 -10.397
   68    HB2  LEU   8           HB2      LEU   8   4.513  16.255 -11.523
   69    HB3  LEU   8           HB3      LEU   8   2.851  15.667 -11.557
   70    HG   LEU   8           HG       LEU   8   2.399  17.871 -12.885
   71   HD11  LEU   8          HD11      LEU   8   4.907  17.718 -14.220
   72   HD12  LEU   8          HD12      LEU   8   5.196  18.034 -12.510
   73   HD13  LEU   8          HD13      LEU   8   4.151  19.107 -13.440
   74   HD21  LEU   8          HD21      LEU   8   2.393  15.392 -13.620
   75   HD22  LEU   8          HD22      LEU   8   3.945  15.776 -14.364
   76   HD23  LEU   8          HD23      LEU   8   2.492  16.649 -14.853
   77    HA   PRO   9           HA       PRO   9   2.717  15.520  -6.627
   78    HB2  PRO   9           HB2      PRO   9   1.022  13.426  -6.959
   79    HB3  PRO   9           HB3      PRO   9   0.464  15.076  -6.664
   80    HG2  PRO   9           HG2      PRO   9   0.666  13.581  -9.248
   81    HG3  PRO   9           HG3      PRO   9  -0.638  14.628  -8.662
   82    HD2  PRO   9           HD2      PRO   9   1.218  15.473 -10.441
   83    HD3  PRO   9           HD3      PRO   9   0.477  16.558  -9.248
   84    H    GLY  10           H        GLY  10   3.273  13.921  -9.665
   85    HA2  GLY  10           HA2      GLY  10   4.394  11.531  -8.507
   86    HA3  GLY  10           HA3      GLY  10   4.419  11.980 -10.205
   87    H    HIS  11           H        HIS  11   6.267  11.586  -7.453
   88    HA   HIS  11           HA       HIS  11   8.422  13.280  -8.535
   89    HB2  HIS  11           HB2      HIS  11   7.955  12.326  -5.703
   90    HB3  HIS  11           HB3      HIS  11   9.385  13.205  -6.234
   91    HD1  HIS  11           HD1      HIS  11   5.727  13.937  -6.966
   92    HD2  HIS  11           HD2      HIS  11   9.041  15.666  -5.155
   93    HE1  HIS  11           HE1      HIS  11   5.005  16.258  -6.321
   94    H    GLN  12           H        GLN  12   7.983  10.818  -9.702
   95    HA   GLN  12           HA       GLN  12   9.903   8.966  -8.520
   96    HB2  GLN  12           HB2      GLN  12   7.535   8.594  -9.909
   97    HB3  GLN  12           HB3      GLN  12   8.771   8.193 -11.093
   98    HG2  GLN  12           HG2      GLN  12   9.220   7.021  -8.453
   99    HG3  GLN  12           HG3      GLN  12   7.742   6.480  -9.248
  100   HE21  GLN  12          HE21      GLN  12   8.363   4.441  -9.740
  101   HE22  GLN  12          HE22      GLN  12   9.650   4.058 -10.827
  102    H    LYS  13           H        LYS  13   9.314  10.404 -11.732
  103    HA   LYS  13           HA       LYS  13  11.781   9.672 -12.844
  104    HB2  LYS  13           HB2      LYS  13   9.500  10.907 -13.759
  105    HB3  LYS  13           HB3      LYS  13  10.685  12.205 -13.834
  106    HG2  LYS  13           HG2      LYS  13  11.031  11.327 -15.885
  107    HG3  LYS  13           HG3      LYS  13  12.124  10.278 -14.980
  108    HD2  LYS  13           HD2      LYS  13  10.928   8.477 -15.510
  109    HD3  LYS  13           HD3      LYS  13   9.446   9.228 -14.918
  110    HE2  LYS  13           HE2      LYS  13   8.883  10.066 -16.994
  111    HE3  LYS  13           HE3      LYS  13  10.551  10.046 -17.567
  112    HZ1  LYS  13           HZ1      LYS  13  10.320   7.985 -18.338
  113    HZ2  LYS  13           HZ2      LYS  13   8.653   8.194 -18.147
  114    HZ3  LYS  13           HZ3      LYS  13   9.553   7.433 -16.935
  115    H    ARG  14           H        ARG  14  10.771  12.613 -11.150
  116    HA   ARG  14           HA       ARG  14  13.236  13.983 -11.508
  117    HB2  ARG  14           HB2      ARG  14  10.852  14.864 -10.833
  118    HB3  ARG  14           HB3      ARG  14  11.421  14.554  -9.199
  119    HG2  ARG  14           HG2      ARG  14  13.215  16.096  -9.445
  120    HG3  ARG  14           HG3      ARG  14  12.907  16.266 -11.175
  121    HD2  ARG  14           HD2      ARG  14  10.666  17.200 -10.612
  122    HD3  ARG  14           HD3      ARG  14  11.131  17.164  -8.911
  123    HE   ARG  14           HE       ARG  14  12.000  19.044 -10.913
  124   HH11  ARG  14          HH11      ARG  14  13.691  18.903  -7.286
  125   HH12  ARG  14          HH12      ARG  14  12.699  17.589  -7.828
  126   HH21  ARG  14          HH21      ARG  14  14.033  20.718  -8.642
  127   HH22  ARG  14          HH22      ARG  14  13.303  20.779 -10.211
  128    H    MK8  15           H2       MK8  15  12.150  11.500  -9.216
  129    HB   MK8  15           HB       MK8  15  12.209   9.885  -7.208
  130    HBA  MK8  15           HBA      MK8  15  13.362   9.144  -8.275
  131    HD   MK8  15           HD       MK8  15  16.071   9.779  -6.339
  132    HDA  MK8  15           HDA      MK8  15  15.788   8.390  -5.336
  133    HE   MK8  15           HE       MK8  15  15.046   7.311  -7.780
  134    HG   MK8  15           HG       MK8  15  13.785   9.739  -5.308
  135    HGA  MK8  15           HGA      MK8  15  13.468   8.197  -6.034
  136    HB1  MK8  15           HB1      MK8  15  14.528  11.872  -5.851
  137   HB1A  MK8  15          HB1A      MK8  15  13.855  13.207  -6.785
  138   HB1B  MK8  15          HB1B      MK8  15  12.777  12.047  -6.043
  139    H    ALA  16           H        ALA  16  14.303  10.090  -9.926
  140    HA   ALA  16           HA       ALA  16  16.950   9.362  -9.760
  141    HB1  ALA  16           HB1      ALA  16  16.924   9.218 -12.217
  142    HB2  ALA  16           HB2      ALA  16  15.483   8.510 -11.485
  143    HB3  ALA  16           HB3      ALA  16  15.399  10.104 -12.237
  144    H    TYR  17           H        TYR  17  15.611  12.364 -11.102
  145    HA   TYR  17           HA       TYR  17  18.056  13.468 -11.949
  146    HB2  TYR  17           HB2      TYR  17  15.716  14.236 -12.573
  147    HB3  TYR  17           HB3      TYR  17  15.662  15.051 -11.015
  148    HD1  TYR  17           HD1      TYR  17  16.446  15.426 -14.414
  149    HD2  TYR  17           HD2      TYR  17  17.719  16.647 -10.541
  150    HE1  TYR  17           HE1      TYR  17  17.568  17.378 -15.404
  151    HE2  TYR  17           HE2      TYR  17  18.843  18.604 -11.522
  152    HH   TYR  17           HH       TYR  17  18.923  19.915 -13.432
  153    H    SER  18           H        SER  18  16.215  13.906  -8.940
  154    HA   SER  18           HA       SER  18  17.874  15.764  -7.708
  155    HB2  SER  18           HB2      SER  18  15.599  14.341  -6.994
  156    HB3  SER  18           HB3      SER  18  16.810  13.800  -5.831
  157    HG   SER  18           HG       SER  18  15.921  16.437  -6.342
  158    H    MK8  19           H2       MK8  19  18.236  12.239  -8.031
  159    HB   MK8  19           HB       MK8  19  20.076  10.283  -8.815
  160    HBA  MK8  19           HBA      MK8  19  20.777   9.697  -7.340
  161    HD   MK8  19           HD       MK8  19  19.076   7.980  -8.547
  162    HDA  MK8  19           HDA      MK8  19  18.976   7.584  -6.856
  163    HE   MK8  19           HE       MK8  19  17.104   6.842  -8.692
  164    HG   MK8  19           HG       MK8  19  18.377   9.827  -6.284
  165    HGA  MK8  19           HGA      MK8  19  17.854  10.174  -7.922
  166    HB1  MK8  19           HB1      MK8  19  19.555  11.251  -5.161
  167   HB1A  MK8  19          HB1A      MK8  19  21.279  11.012  -5.488
  168   HB1B  MK8  19          HB1B      MK8  19  20.624  12.619  -5.243
  169    H    LEU  20           H        LEU  20  20.264  12.683  -9.541
  170    HA   LEU  20           HA       LEU  20  22.919  12.953 -10.228
  171    HB2  LEU  20           HB2      LEU  20  20.656  13.288 -11.560
  172    HB3  LEU  20           HB3      LEU  20  20.999  14.987 -11.240
  173    HG   LEU  20           HG       LEU  20  21.792  14.370 -13.441
  174   HD11  LEU  20          HD11      LEU  20  23.928  15.303 -13.313
  175   HD12  LEU  20          HD12      LEU  20  24.238  14.606 -11.722
  176   HD13  LEU  20          HD13      LEU  20  23.093  15.937 -11.892
  177   HD21  LEU  20          HD21      LEU  20  22.326  11.921 -12.360
  178   HD22  LEU  20          HD22      LEU  20  23.942  12.609 -12.526
  179   HD23  LEU  20          HD23      LEU  20  22.887  12.481 -13.934
  180    H    GLY  21           H        GLY  21  20.770  15.523  -8.994
  181    HA2  GLY  21           HA2      GLY  21  22.867  17.447  -8.799
  182    HA3  GLY  21           HA3      GLY  21  21.263  17.585  -8.093
  183    H    LEU  22           H        LEU  22  22.255  14.735  -6.967
  184    HA   LEU  22           HA       LEU  22  23.718  15.883  -4.685
  185    HB2  LEU  22           HB2      LEU  22  21.111  15.014  -4.597
  186    HB3  LEU  22           HB3      LEU  22  22.012  13.607  -4.033
  187    HG   LEU  22           HG       LEU  22  23.142  15.433  -2.469
  188   HD11  LEU  22          HD11      LEU  22  22.113  17.406  -3.057
  189   HD12  LEU  22          HD12      LEU  22  21.117  16.879  -1.701
  190   HD13  LEU  22          HD13      LEU  22  20.557  16.632  -3.355
  191   HD21  LEU  22          HD21      LEU  22  21.915  14.534  -0.747
  192   HD22  LEU  22          HD22      LEU  22  21.650  13.331  -2.010
  193   HD23  LEU  22          HD23      LEU  22  20.411  14.541  -1.669
  194    H    LYS  23           H        LYS  23  24.761  14.511  -6.993
  195    HA   LYS  23           HA       LYS  23  26.139  12.349  -5.599
  196    HB2  LYS  23           HB2      LYS  23  24.352  11.194  -6.767
  197    HB3  LYS  23           HB3      LYS  23  24.763  12.010  -8.270
  198    HG2  LYS  23           HG2      LYS  23  26.461  10.610  -8.719
  199    HG3  LYS  23           HG3      LYS  23  26.954  10.497  -7.029
  200    HD2  LYS  23           HD2      LYS  23  24.369   9.266  -7.486
  201    HD3  LYS  23           HD3      LYS  23  25.626   8.555  -8.503
  202    HE2  LYS  23           HE2      LYS  23  26.976   8.052  -6.591
  203    HE3  LYS  23           HE3      LYS  23  25.896   8.953  -5.528
  204    HZ1  LYS  23           HZ1      LYS  23  25.777   6.305  -5.914
  205    HZ2  LYS  23           HZ2      LYS  23  24.626   6.838  -7.033
  206    HZ3  LYS  23           HZ3      LYS  23  24.471   7.249  -5.399
  207    H    ASP  24           H        ASP  24  25.876  14.214  -8.612
  208    HA   ASP  24           HA       ASP  24  28.655  13.823  -9.257
  209    HB2  ASP  24           HB2      ASP  24  26.322  14.729 -10.621
  210    HB3  ASP  24           HB3      ASP  24  27.542  15.995 -10.733
  211    H    GLN  25           H        GLN  25  26.727  16.224  -7.629
  212    HA   GLN  25           HA       GLN  25  28.682  18.305  -7.718
  213    HB2  GLN  25           HB2      GLN  25  26.122  17.857  -6.237
  214    HB3  GLN  25           HB3      GLN  25  27.201  19.145  -5.720
  215    HG2  GLN  25           HG2      GLN  25  27.115  20.092  -7.991
  216    HG3  GLN  25           HG3      GLN  25  25.966  18.836  -8.445
  217   HE21  GLN  25          HE21      GLN  25  23.929  19.422  -8.382
  218   HE22  GLN  25          HE22      GLN  25  23.247  20.645  -7.371
  219    H    VAL  26           H        VAL  26  27.659  15.983  -5.231
  220    HA   VAL  26           HA       VAL  26  29.398  16.817  -3.205
  221    HB   VAL  26           HB       VAL  26  28.427  13.999  -3.704
  222   HG11  VAL  26          HG11      VAL  26  29.498  15.390  -1.256
  223   HG12  VAL  26          HG12      VAL  26  28.633  13.853  -1.204
  224   HG13  VAL  26          HG13      VAL  26  30.162  13.978  -2.075
  225   HG21  VAL  26          HG21      VAL  26  26.571  14.576  -2.205
  226   HG22  VAL  26          HG22      VAL  26  27.143  16.243  -2.145
  227   HG23  VAL  26          HG23      VAL  26  26.563  15.564  -3.666
  228    HN1  NH2  27           HN1      NH2  27  29.784  13.838  -5.162
  229    HN2  NH2  27           HN2      NH2  27  31.515  13.883  -5.216
  Start of MODEL    4
    1    H1   ACE   1           H1       ACE   1  12.541  -2.558  10.252
    2    H2   ACE   1           H2       ACE   1  10.770  -2.446  10.382
    3    H3   ACE   1           H3       ACE   1  11.516  -3.044   8.881
    4    H    LYS   2           H        LYS   2  13.664  -0.983   9.313
    5    HA   LYS   2           HA       LYS   2  12.607   0.992   7.597
    6    HB2  LYS   2           HB2      LYS   2  11.539   1.591   9.839
    7    HB3  LYS   2           HB3      LYS   2  13.156   2.029  10.375
    8    HG2  LYS   2           HG2      LYS   2  12.719   3.305   7.891
    9    HG3  LYS   2           HG3      LYS   2  11.287   3.570   8.887
   10    HD2  LYS   2           HD2      LYS   2  13.991   3.945  10.092
   11    HD3  LYS   2           HD3      LYS   2  13.337   5.198   9.035
   12    HE2  LYS   2           HE2      LYS   2  11.708   5.780  10.512
   13    HE3  LYS   2           HE3      LYS   2  11.545   4.143  11.144
   14    HZ1  LYS   2           HZ1      LYS   2  13.922   4.658  12.069
   15    HZ2  LYS   2           HZ2      LYS   2  12.540   5.173  12.898
   16    HZ3  LYS   2           HZ3      LYS   2  13.405   6.264  11.935
   17    H    ARG   3           H        ARG   3  14.760  -0.404   7.155
   18    HA   ARG   3           HA       ARG   3  17.063   1.226   7.986
   19    HB2  ARG   3           HB2      ARG   3  16.907  -1.600   6.932
   20    HB3  ARG   3           HB3      ARG   3  18.418  -0.732   7.168
   21    HG2  ARG   3           HG2      ARG   3  17.300  -0.418   9.600
   22    HG3  ARG   3           HG3      ARG   3  16.624  -1.980   9.132
   23    HD2  ARG   3           HD2      ARG   3  19.151  -2.411   8.419
   24    HD3  ARG   3           HD3      ARG   3  19.436  -1.202   9.670
   25    HE   ARG   3           HE       ARG   3  18.832  -2.744  11.258
   26   HH11  ARG   3          HH11      ARG   3  17.449  -5.469   8.674
   27   HH12  ARG   3          HH12      ARG   3  17.882  -3.890   8.110
   28   HH21  ARG   3          HH21      ARG   3  17.667  -5.998  10.892
   29   HH22  ARG   3          HH22      ARG   3  18.265  -4.820  12.011
   30    H    ILE   4           H        ILE   4  15.739  -0.463   5.144
   31    HA   ILE   4           HA       ILE   4  17.324   1.290   3.409
   32    HB   ILE   4           HB       ILE   4  15.728  -1.178   2.707
   33   HG12  ILE   4          HG12      ILE   4  18.718  -0.765   2.946
   34   HG13  ILE   4          HG13      ILE   4  17.715  -1.651   4.089
   35   HG21  ILE   4          HG21      ILE   4  15.845   0.360   0.839
   36   HG22  ILE   4          HG22      ILE   4  17.591   0.508   1.039
   37   HG23  ILE   4          HG23      ILE   4  16.889  -1.030   0.539
   38   HD11  ILE   4          HD11      ILE   4  18.226  -3.465   2.924
   39   HD12  ILE   4          HD12      ILE   4  17.161  -2.843   1.662
   40   HD13  ILE   4          HD13      ILE   4  18.893  -2.514   1.595
   41    H    GLY   5           H        GLY   5  16.311   3.160   3.004
   42    HA2  GLY   5           HA2      GLY   5  14.225   3.494   1.305
   43    HA3  GLY   5           HA3      GLY   5  13.432   3.330   2.866
   44    H    VAL   6           H        VAL   6  12.995   5.181   3.842
   45    HA   VAL   6           HA       VAL   6  13.050   7.371   4.463
   46    HB   VAL   6           HB       VAL   6  16.015   7.178   3.915
   47   HG11  VAL   6          HG11      VAL   6  16.138   9.283   4.604
   48   HG12  VAL   6          HG12      VAL   6  14.377   9.343   4.704
   49   HG13  VAL   6          HG13      VAL   6  15.325   8.858   6.111
   50   HG21  VAL   6          HG21      VAL   6  14.558   6.672   6.505
   51   HG22  VAL   6          HG22      VAL   6  15.169   5.407   5.439
   52   HG23  VAL   6          HG23      VAL   6  16.290   6.526   6.212
   53    H    ARG   7           H        ARG   7  11.864   7.727   2.416
   54    HA   ARG   7           HA       ARG   7  13.203   9.777   0.861
   55    HB2  ARG   7           HB2      ARG   7  12.239   7.182  -0.308
   56    HB3  ARG   7           HB3      ARG   7  12.265   8.648  -1.276
   57    HG2  ARG   7           HG2      ARG   7  14.693   8.868  -0.750
   58    HG3  ARG   7           HG3      ARG   7  14.609   7.283   0.022
   59    HD2  ARG   7           HD2      ARG   7  13.632   7.639  -2.782
   60    HD3  ARG   7           HD3      ARG   7  15.360   7.480  -2.463
   61    HE   ARG   7           HE       ARG   7  14.035   5.407  -1.137
   62   HH11  ARG   7          HH11      ARG   7  14.658   4.876  -5.057
   63   HH12  ARG   7          HH12      ARG   7  14.692   6.473  -4.386
   64   HH21  ARG   7          HH21      ARG   7  14.257   3.071  -3.703
   65   HH22  ARG   7          HH22      ARG   7  13.987   3.301  -2.008
   66    H    LEU   8           H        LEU   8  11.688  10.972  -0.531
   67    HA   LEU   8           HA       LEU   8   9.367  11.707   0.825
   68    HB2  LEU   8           HB2      LEU   8  10.584  12.289  -1.786
   69    HB3  LEU   8           HB3      LEU   8   8.839  12.524  -1.708
   70    HG   LEU   8           HG       LEU   8   9.600  13.864   0.506
   71   HD11  LEU   8          HD11      LEU   8  11.579  15.216  -0.098
   72   HD12  LEU   8          HD12      LEU   8  11.866  14.136  -1.462
   73   HD13  LEU   8          HD13      LEU   8  11.960  13.518   0.187
   74   HD21  LEU   8          HD21      LEU   8   9.868  15.734  -1.555
   75   HD22  LEU   8          HD22      LEU   8   8.400  15.317  -0.671
   76   HD23  LEU   8          HD23      LEU   8   8.786  14.491  -2.182
   77    HA   PRO   9           HA       PRO   9   6.212   8.911  -0.387
   78    HB2  PRO   9           HB2      PRO   9   4.084  10.553  -0.768
   79    HB3  PRO   9           HB3      PRO   9   4.740  10.186   0.832
   80    HG2  PRO   9           HG2      PRO   9   5.189  12.590  -0.895
   81    HG3  PRO   9           HG3      PRO   9   4.895  12.506   0.853
   82    HD2  PRO   9           HD2      PRO   9   7.371  12.837  -0.193
   83    HD3  PRO   9           HD3      PRO   9   7.085  11.958   1.322
   84    H    GLY  10           H        GLY  10   7.330   8.404  -2.433
   85    HA2  GLY  10           HA2      GLY  10   6.877   7.815  -4.651
   86    HA3  GLY  10           HA3      GLY  10   5.595   9.017  -4.685
   87    H    HIS  11           H        HIS  11   5.976  10.582  -6.087
   88    HA   HIS  11           HA       HIS  11   7.040  12.114  -7.391
   89    HB2  HIS  11           HB2      HIS  11   9.010  12.058  -5.098
   90    HB3  HIS  11           HB3      HIS  11   9.020  13.254  -6.390
   91    HD1  HIS  11           HD1      HIS  11   6.679  12.023  -3.660
   92    HD2  HIS  11           HD2      HIS  11   7.502  15.441  -5.874
   93    HE1  HIS  11           HE1      HIS  11   5.214  13.821  -2.690
   94    H    GLN  12           H        GLN  12   7.345  10.030  -8.706
   95    HA   GLN  12           HA       GLN  12  10.028   9.003  -8.867
   96    HB2  GLN  12           HB2      GLN  12   7.584   8.587 -10.592
   97    HB3  GLN  12           HB3      GLN  12   9.123   7.787 -10.877
   98    HG2  GLN  12           HG2      GLN  12   7.933   7.557  -8.174
   99    HG3  GLN  12           HG3      GLN  12   7.177   6.659  -9.489
  100   HE21  GLN  12          HE21      GLN  12   7.848   4.651  -9.570
  101   HE22  GLN  12          HE22      GLN  12   9.446   4.089  -9.230
  102    H    LYS  13           H        LYS  13  10.833   8.803 -11.321
  103    HA   LYS  13           HA       LYS  13  11.753   9.841 -13.128
  104    HB2  LYS  13           HB2      LYS  13   9.208  11.121 -12.799
  105    HB3  LYS  13           HB3      LYS  13  10.399  12.324 -13.281
  106    HG2  LYS  13           HG2      LYS  13  11.038  10.532 -15.078
  107    HG3  LYS  13           HG3      LYS  13   9.405   9.939 -14.760
  108    HD2  LYS  13           HD2      LYS  13   9.693  12.853 -15.172
  109    HD3  LYS  13           HD3      LYS  13   9.964  11.831 -16.585
  110    HE2  LYS  13           HE2      LYS  13   7.676  12.323 -16.647
  111    HE3  LYS  13           HE3      LYS  13   7.760  10.697 -15.968
  112    HZ1  LYS  13           HZ1      LYS  13   6.888  11.385 -14.050
  113    HZ2  LYS  13           HZ2      LYS  13   6.424  12.784 -14.880
  114    HZ3  LYS  13           HZ3      LYS  13   7.857  12.772 -13.982
  115    H    ARG  14           H        ARG  14  10.770  12.716 -11.283
  116    HA   ARG  14           HA       ARG  14  13.258  13.996 -11.537
  117    HB2  ARG  14           HB2      ARG  14  10.885  14.906 -10.864
  118    HB3  ARG  14           HB3      ARG  14  11.446  14.585  -9.229
  119    HG2  ARG  14           HG2      ARG  14  13.249  16.112  -9.455
  120    HG3  ARG  14           HG3      ARG  14  12.973  16.274 -11.192
  121    HD2  ARG  14           HD2      ARG  14  12.039  18.211 -10.268
  122    HD3  ARG  14           HD3      ARG  14  10.659  17.153 -10.563
  123    HE   ARG  14           HE       ARG  14  11.665  16.829  -7.925
  124   HH11  ARG  14          HH11      ARG  14   8.825  19.566  -8.605
  125   HH12  ARG  14          HH12      ARG  14   9.755  18.941  -9.928
  126   HH21  ARG  14          HH21      ARG  14   9.220  18.829  -6.473
  127   HH22  ARG  14          HH22      ARG  14  10.448  17.645  -6.176
  128    H    MK8  15           H2       MK8  15  12.072  11.624  -9.164
  129    HB   MK8  15           HB       MK8  15  12.169   9.911  -7.298
  130    HBA  MK8  15           HBA      MK8  15  13.261   9.189  -8.428
  131    HD   MK8  15           HD       MK8  15  16.006   9.729  -6.387
  132    HDA  MK8  15           HDA      MK8  15  15.699   8.316  -5.434
  133    HE   MK8  15           HE       MK8  15  15.040   7.311  -7.947
  134    HG   MK8  15           HG       MK8  15  13.687   9.628  -5.422
  135    HGA  MK8  15           HGA      MK8  15  13.395   8.121  -6.230
  136    HB1  MK8  15           HB1      MK8  15  12.750  12.105  -6.126
  137   HB1A  MK8  15          HB1A      MK8  15  14.462  11.750  -5.846
  138   HB1B  MK8  15          HB1B      MK8  15  13.992  13.161  -6.782
  139    H    ALA  16           H        ALA  16  14.314  10.112  -9.975
  140    HA   ALA  16           HA       ALA  16  16.961   9.378  -9.803
  141    HB1  ALA  16           HB1      ALA  16  15.471  10.168 -12.305
  142    HB2  ALA  16           HB2      ALA  16  16.945   9.200 -12.236
  143    HB3  ALA  16           HB3      ALA  16  15.448   8.576 -11.545
  144    H    TYR  17           H        TYR  17  15.631  12.391 -11.132
  145    HA   TYR  17           HA       TYR  17  18.082  13.500 -11.952
  146    HB2  TYR  17           HB2      TYR  17  15.740  14.272 -12.579
  147    HB3  TYR  17           HB3      TYR  17  15.688  15.085 -11.020
  148    HD1  TYR  17           HD1      TYR  17  16.466  15.468 -14.417
  149    HD2  TYR  17           HD2      TYR  17  17.761  16.667 -10.545
  150    HE1  TYR  17           HE1      TYR  17  17.596  17.416 -15.405
  151    HE2  TYR  17           HE2      TYR  17  18.894  18.619 -11.523
  152    HH   TYR  17           HH       TYR  17  19.469  18.945 -14.828
  153    H    SER  18           H        SER  18  16.221  13.916  -8.953
  154    HA   SER  18           HA       SER  18  17.871  15.764  -7.693
  155    HB2  SER  18           HB2      SER  18  15.566  14.752  -6.978
  156    HB3  SER  18           HB3      SER  18  16.557  13.574  -6.117
  157    HG   SER  18           HG       SER  18  16.647  15.049  -4.627
  158    H    MK8  19           H2       MK8  19  18.239  12.261  -8.065
  159    HB   MK8  19           HB       MK8  19  20.061  10.285  -8.823
  160    HBA  MK8  19           HBA      MK8  19  20.749   9.687  -7.346
  161    HD   MK8  19           HD       MK8  19  19.106   7.949  -8.519
  162    HDA  MK8  19           HDA      MK8  19  18.929   7.578  -6.830
  163    HE   MK8  19           HE       MK8  19  17.131   6.862  -8.788
  164    HG   MK8  19           HG       MK8  19  18.313   9.844  -6.322
  165    HGA  MK8  19           HGA      MK8  19  17.839  10.145  -7.983
  166    HB1  MK8  19           HB1      MK8  19  21.255  10.997  -5.492
  167   HB1A  MK8  19          HB1A      MK8  19  20.625  12.609  -5.250
  168   HB1B  MK8  19          HB1B      MK8  19  19.536  11.255  -5.161
  169    H    LEU  20           H        LEU  20  20.264  12.682  -9.539
  170    HA   LEU  20           HA       LEU  20  22.918  12.950 -10.222
  171    HB2  LEU  20           HB2      LEU  20  20.655  13.290 -11.555
  172    HB3  LEU  20           HB3      LEU  20  21.009  14.987 -11.239
  173    HG   LEU  20           HG       LEU  20  21.795  14.354 -13.440
  174   HD11  LEU  20          HD11      LEU  20  23.129  15.870 -11.789
  175   HD12  LEU  20          HD12      LEU  20  23.850  15.378 -13.321
  176   HD13  LEU  20          HD13      LEU  20  24.300  14.551 -11.830
  177   HD21  LEU  20          HD21      LEU  20  23.223  12.589 -13.895
  178   HD22  LEU  20          HD22      LEU  20  22.154  11.907 -12.668
  179   HD23  LEU  20          HD23      LEU  20  23.769  12.463 -12.222
  180    H    GLY  21           H        GLY  21  20.770  15.518  -8.987
  181    HA2  GLY  21           HA2      GLY  21  22.865  17.445  -8.793
  182    HA3  GLY  21           HA3      GLY  21  21.262  17.580  -8.089
  183    H    LEU  22           H        LEU  22  22.254  14.731  -6.961
  184    HA   LEU  22           HA       LEU  22  23.716  15.878  -4.679
  185    HB2  LEU  22           HB2      LEU  22  21.108  15.010  -4.592
  186    HB3  LEU  22           HB3      LEU  22  22.008  13.605  -4.027
  187    HG   LEU  22           HG       LEU  22  21.269  14.926  -2.146
  188   HD11  LEU  22          HD11      LEU  22  24.232  15.271  -2.573
  189   HD12  LEU  22          HD12      LEU  22  23.448  13.795  -2.012
  190   HD13  LEU  22          HD13      LEU  22  23.387  15.256  -1.025
  191   HD21  LEU  22          HD21      LEU  22  21.381  17.085  -3.649
  192   HD22  LEU  22          HD22      LEU  22  22.986  17.228  -2.930
  193   HD23  LEU  22          HD23      LEU  22  21.557  17.182  -1.897
  194    H    LYS  23           H        LYS  23  24.759  14.505  -6.986
  195    HA   LYS  23           HA       LYS  23  26.230  12.429  -5.597
  196    HB2  LYS  23           HB2      LYS  23  24.334  11.185  -6.517
  197    HB3  LYS  23           HB3      LYS  23  24.670  11.832  -8.118
  198    HG2  LYS  23           HG2      LYS  23  26.805  10.665  -8.158
  199    HG3  LYS  23           HG3      LYS  23  26.505  10.043  -6.534
  200    HD2  LYS  23           HD2      LYS  23  24.296   9.491  -8.328
  201    HD3  LYS  23           HD3      LYS  23  25.815   8.826  -8.931
  202    HE2  LYS  23           HE2      LYS  23  24.944   7.121  -7.599
  203    HE3  LYS  23           HE3      LYS  23  26.129   7.909  -6.558
  204    HZ1  LYS  23           HZ1      LYS  23  23.721   7.370  -5.717
  205    HZ2  LYS  23           HZ2      LYS  23  23.358   8.849  -6.453
  206    HZ3  LYS  23           HZ3      LYS  23  24.520   8.779  -5.226
  207    H    ASP  24           H        ASP  24  25.654  14.113  -8.662
  208    HA   ASP  24           HA       ASP  24  28.456  13.785  -9.408
  209    HB2  ASP  24           HB2      ASP  24  26.277  13.652 -10.948
  210    HB3  ASP  24           HB3      ASP  24  26.584  15.381 -11.083
  211    H    GLN  25           H        GLN  25  26.206  16.227  -8.321
  212    HA   GLN  25           HA       GLN  25  27.826  18.484  -8.910
  213    HB2  GLN  25           HB2      GLN  25  25.250  18.042  -7.911
  214    HB3  GLN  25           HB3      GLN  25  26.100  18.879  -6.619
  215    HG2  GLN  25           HG2      GLN  25  24.999  20.488  -8.006
  216    HG3  GLN  25           HG3      GLN  25  26.741  20.636  -8.226
  217   HE21  GLN  25          HE21      GLN  25  23.852  19.168  -9.628
  218   HE22  GLN  25          HE22      GLN  25  24.389  19.251 -11.268
  219    H    VAL  26           H        VAL  26  27.502  16.379  -6.104
  220    HA   VAL  26           HA       VAL  26  28.905  17.821  -4.207
  221    HB   VAL  26           HB       VAL  26  27.730  15.666  -3.785
  222   HG11  VAL  26          HG11      VAL  26  28.434  13.663  -4.563
  223   HG12  VAL  26          HG12      VAL  26  29.146  14.661  -5.833
  224   HG13  VAL  26          HG13      VAL  26  30.138  14.107  -4.484
  225   HG21  VAL  26          HG21      VAL  26  30.535  15.353  -2.806
  226   HG22  VAL  26          HG22      VAL  26  29.593  16.763  -2.324
  227   HG23  VAL  26          HG23      VAL  26  29.014  15.142  -1.939
  228    HN1  NH2  27           HN1      NH2  27  31.053  18.015  -3.601
  229    HN2  NH2  27           HN2      NH2  27  32.371  17.598  -4.643
  Start of MODEL    5
    1    H1   ACE   1           H1       ACE   1  27.068  26.759   6.690
    2    H2   ACE   1           H2       ACE   1  27.246  28.268   5.762
    3    H3   ACE   1           H3       ACE   1  25.761  27.970   6.699
    4    H    LYS   2           H        LYS   2  24.213  26.651   5.922
    5    HA   LYS   2           HA       LYS   2  23.911  26.483   3.141
    6    HB2  LYS   2           HB2      LYS   2  25.575  24.480   4.044
    7    HB3  LYS   2           HB3      LYS   2  24.006  23.689   4.006
    8    HG2  LYS   2           HG2      LYS   2  23.914  24.827   1.612
    9    HG3  LYS   2           HG3      LYS   2  25.669  24.724   1.785
   10    HD2  LYS   2           HD2      LYS   2  24.167  22.294   2.514
   11    HD3  LYS   2           HD3      LYS   2  24.123  22.735   0.805
   12    HE2  LYS   2           HE2      LYS   2  26.720  22.688   2.295
   13    HE3  LYS   2           HE3      LYS   2  26.018  21.192   1.678
   14    HZ1  LYS   2           HZ1      LYS   2  25.922  22.315  -0.536
   15    HZ2  LYS   2           HZ2      LYS   2  27.484  22.010   0.035
   16    HZ3  LYS   2           HZ3      LYS   2  26.844  23.573   0.119
   17    H    ARG   3           H        ARG   3  21.804  26.867   3.057
   18    HA   ARG   3           HA       ARG   3  19.981  26.307   5.119
   19    HB2  ARG   3           HB2      ARG   3  19.657  27.063   2.228
   20    HB3  ARG   3           HB3      ARG   3  18.257  26.720   3.236
   21    HG2  ARG   3           HG2      ARG   3  20.337  28.786   3.911
   22    HG3  ARG   3           HG3      ARG   3  18.842  29.135   3.040
   23    HD2  ARG   3           HD2      ARG   3  17.634  29.118   4.917
   24    HD3  ARG   3           HD3      ARG   3  18.375  27.616   5.470
   25    HE   ARG   3           HE       ARG   3  20.220  29.691   5.810
   26   HH11  ARG   3          HH11      ARG   3  17.411  29.328   8.638
   27   HH12  ARG   3          HH12      ARG   3  17.155  28.629   7.074
   28   HH21  ARG   3          HH21      ARG   3  19.353  30.457   9.088
   29   HH22  ARG   3          HH22      ARG   3  20.569  30.616   7.866
   30    H    ILE   4           H        ILE   4  17.978  24.968   4.837
   31    HA   ILE   4           HA       ILE   4  18.100  22.678   3.116
   32    HB   ILE   4           HB       ILE   4  19.700  21.990   4.859
   33   HG12  ILE   4          HG12      ILE   4  17.284  20.321   5.383
   34   HG13  ILE   4          HG13      ILE   4  17.835  20.478   3.718
   35   HG21  ILE   4          HG21      ILE   4  17.716  21.594   6.953
   36   HG22  ILE   4          HG22      ILE   4  19.352  22.243   7.050
   37   HG23  ILE   4          HG23      ILE   4  18.012  23.294   6.592
   38   HD11  ILE   4          HD11      ILE   4  18.834  18.805   5.790
   39   HD12  ILE   4          HD12      ILE   4  19.312  18.883   4.094
   40   HD13  ILE   4          HD13      ILE   4  20.106  19.916   5.283
   41    H    GLY   5           H        GLY   5  16.097  21.941   2.735
   42    HA2  GLY   5           HA2      GLY   5  14.017  21.449   4.385
   43    HA3  GLY   5           HA3      GLY   5  13.889  23.184   4.131
   44    H    VAL   6           H        VAL   6  14.065  20.093   2.404
   45    HA   VAL   6           HA       VAL   6  12.492  21.318   0.231
   46    HB   VAL   6           HB       VAL   6  14.721  20.504  -0.472
   47   HG11  VAL   6          HG11      VAL   6  14.670  18.596   1.239
   48   HG12  VAL   6          HG12      VAL   6  13.745  17.710   0.024
   49   HG13  VAL   6          HG13      VAL   6  15.379  18.265  -0.342
   50   HG21  VAL   6          HG21      VAL   6  13.933  19.853  -2.483
   51   HG22  VAL   6          HG22      VAL   6  12.925  18.579  -1.796
   52   HG23  VAL   6          HG23      VAL   6  12.369  20.253  -1.772
   53    H    ARG   7           H        ARG   7  10.575  20.438  -0.327
   54    HA   ARG   7           HA       ARG   7   9.845  17.780   0.596
   55    HB2  ARG   7           HB2      ARG   7   9.273  19.582   2.379
   56    HB3  ARG   7           HB3      ARG   7   7.987  20.039   1.271
   57    HG2  ARG   7           HG2      ARG   7   7.268  17.603   1.341
   58    HG3  ARG   7           HG3      ARG   7   8.361  17.438   2.716
   59    HD2  ARG   7           HD2      ARG   7   6.219  19.544   2.599
   60    HD3  ARG   7           HD3      ARG   7   5.919  17.927   3.235
   61    HE   ARG   7           HE       ARG   7   8.180  19.241   4.429
   62   HH11  ARG   7          HH11      ARG   7   4.601  19.220   6.223
   63   HH12  ARG   7          HH12      ARG   7   4.728  18.803   4.546
   64   HH21  ARG   7          HH21      ARG   7   6.478  19.783   7.412
   65   HH22  ARG   7          HH22      ARG   7   8.026  19.791   6.637
   66    H    LEU   8           H        LEU   8   9.340  16.955  -1.343
   67    HA   LEU   8           HA       LEU   8   7.729  18.535  -3.205
   68    HB2  LEU   8           HB2      LEU   8   9.617  16.287  -3.435
   69    HB3  LEU   8           HB3      LEU   8   8.231  16.227  -4.522
   70    HG   LEU   8           HG       LEU   8   8.879  18.544  -5.284
   71   HD11  LEU   8          HD11      LEU   8  11.502  18.767  -4.876
   72   HD12  LEU   8          HD12      LEU   8  11.055  17.985  -3.359
   73   HD13  LEU   8          HD13      LEU   8  10.306  19.514  -3.817
   74   HD21  LEU   8          HD21      LEU   8  11.165  17.356  -6.271
   75   HD22  LEU   8          HD22      LEU   8   9.547  17.243  -6.965
   76   HD23  LEU   8          HD23      LEU   8  10.127  15.988  -5.868
   77    HA   PRO   9           HA       PRO   9   3.996  16.315  -2.575
   78    HB2  PRO   9           HB2      PRO   9   3.038  16.047  -5.100
   79    HB3  PRO   9           HB3      PRO   9   3.064  17.592  -4.242
   80    HG2  PRO   9           HG2      PRO   9   4.968  16.534  -6.296
   81    HG3  PRO   9           HG3      PRO   9   4.282  18.163  -6.139
   82    HD2  PRO   9           HD2      PRO   9   6.786  17.550  -5.312
   83    HD3  PRO   9           HD3      PRO   9   5.786  18.774  -4.504
   84    H    GLY  10           H        GLY  10   6.092  14.996  -5.112
   85    HA2  GLY  10           HA2      GLY  10   6.640  12.553  -4.379
   86    HA3  GLY  10           HA3      GLY  10   4.925  12.337  -4.695
   87    H    HIS  11           H        HIS  11   8.032  13.107  -6.144
   88    HA   HIS  11           HA       HIS  11   6.889  12.587  -8.803
   89    HB2  HIS  11           HB2      HIS  11   9.338  14.096  -7.912
   90    HB3  HIS  11           HB3      HIS  11   9.125  13.582  -9.583
   91    HD1  HIS  11           HD1      HIS  11   6.895  15.383  -7.064
   92    HD2  HIS  11           HD2      HIS  11   8.133  15.628 -11.022
   93    HE1  HIS  11           HE1      HIS  11   5.732  17.403  -8.007
   94    H    GLN  12           H        GLN  12   7.795  11.061 -10.165
   95    HA   GLN  12           HA       GLN  12   9.523   9.099  -8.829
   96    HB2  GLN  12           HB2      GLN  12   7.231   8.900 -10.597
   97    HB3  GLN  12           HB3      GLN  12   8.595   7.972 -11.207
   98    HG2  GLN  12           HG2      GLN  12   8.045   7.638  -8.343
   99    HG3  GLN  12           HG3      GLN  12   6.783   7.054  -9.428
  100   HE21  GLN  12          HE21      GLN  12  10.335   7.041  -9.326
  101   HE22  GLN  12          HE22      GLN  12  10.508   5.364  -9.704
  102    H    LYS  13           H        LYS  13   9.293  11.222 -11.573
  103    HA   LYS  13           HA       LYS  13  11.609  10.087 -12.893
  104    HB2  LYS  13           HB2      LYS  13   9.470  11.372 -13.876
  105    HB3  LYS  13           HB3      LYS  13  10.550  12.748 -13.687
  106    HG2  LYS  13           HG2      LYS  13  10.783  11.936 -15.908
  107    HG3  LYS  13           HG3      LYS  13  12.250  11.506 -15.025
  108    HD2  LYS  13           HD2      LYS  13  11.911   9.442 -15.827
  109    HD3  LYS  13           HD3      LYS  13  10.646   9.324 -14.601
  110    HE2  LYS  13           HE2      LYS  13  10.078  10.480 -17.307
  111    HE3  LYS  13           HE3      LYS  13  10.067   8.738 -17.047
  112    HZ1  LYS  13           HZ1      LYS  13   8.029  10.557 -16.514
  113    HZ2  LYS  13           HZ2      LYS  13   8.571   9.985 -15.018
  114    HZ3  LYS  13           HZ3      LYS  13   8.043   8.895 -16.198
  115    H    ARG  14           H        ARG  14  10.808  12.904 -10.939
  116    HA   ARG  14           HA       ARG  14  13.353  14.166 -11.254
  117    HB2  ARG  14           HB2      ARG  14  10.983  15.092 -10.452
  118    HB3  ARG  14           HB3      ARG  14  11.662  14.734  -8.871
  119    HG2  ARG  14           HG2      ARG  14  13.534  16.194  -9.295
  120    HG3  ARG  14           HG3      ARG  14  12.972  16.481 -10.942
  121    HD2  ARG  14           HD2      ARG  14  11.304  17.125  -8.526
  122    HD3  ARG  14           HD3      ARG  14  12.445  18.275  -9.222
  123    HE   ARG  14           HE       ARG  14   9.868  17.594 -10.233
  124   HH11  ARG  14          HH11      ARG  14  12.557  19.313 -12.650
  125   HH12  ARG  14          HH12      ARG  14  13.075  18.571 -11.171
  126   HH21  ARG  14          HH21      ARG  14  10.339  19.310 -13.221
  127   HH22  ARG  14          HH22      ARG  14   9.174  18.567 -12.177
  128    H    MK8  15           H2       MK8  15  12.321  11.424  -9.392
  129    HB   MK8  15           HB       MK8  15  12.383   9.700  -7.043
  130    HBA  MK8  15           HBA      MK8  15  12.795   9.300  -8.680
  131    HD   MK8  15           HD       MK8  15  15.692   9.648  -6.198
  132    HDA  MK8  15           HDA      MK8  15  14.453   8.982  -5.163
  133    HE   MK8  15           HE       MK8  15  15.614   6.893  -4.994
  134    HG   MK8  15           HG       MK8  15  13.556   7.605  -7.017
  135    HGA  MK8  15           HGA      MK8  15  14.812   8.153  -8.083
  136    HB1  MK8  15           HB1      MK8  15  14.136  12.818  -6.631
  137   HB1A  MK8  15          HB1A      MK8  15  12.753  11.836  -6.219
  138   HB1B  MK8  15          HB1B      MK8  15  14.373  11.307  -5.799
  139    H    ALA  16           H        ALA  16  14.523   9.784  -9.974
  140    HA   ALA  16           HA       ALA  16  17.181   9.218  -9.780
  141    HB1  ALA  16           HB1      ALA  16  15.833   9.982 -12.364
  142    HB2  ALA  16           HB2      ALA  16  17.221   8.915 -12.155
  143    HB3  ALA  16           HB3      ALA  16  15.635   8.423 -11.564
  144    H    TYR  17           H        TYR  17  15.791  12.138 -11.267
  145    HA   TYR  17           HA       TYR  17  18.228  13.339 -11.970
  146    HB2  TYR  17           HB2      TYR  17  15.838  13.969 -12.689
  147    HB3  TYR  17           HB3      TYR  17  15.774  14.901 -11.196
  148    HD1  TYR  17           HD1      TYR  17  16.481  15.076 -14.603
  149    HD2  TYR  17           HD2      TYR  17  17.900  16.490 -10.850
  150    HE1  TYR  17           HE1      TYR  17  17.591  16.954 -15.738
  151    HE2  TYR  17           HE2      TYR  17  19.013  18.374 -11.974
  152    HH   TYR  17           HH       TYR  17  19.235  18.569 -15.446
  153    H    SER  18           H        SER  18  16.241  13.625  -9.051
  154    HA   SER  18           HA       SER  18  17.708  15.621  -7.761
  155    HB2  SER  18           HB2      SER  18  15.451  14.701  -7.073
  156    HB3  SER  18           HB3      SER  18  16.310  13.329  -6.371
  157    HG   SER  18           HG       SER  18  16.871  16.022  -5.693
  158    H    MK8  19           H2       MK8  19  18.190  12.095  -7.882
  159    HB   MK8  19           HB       MK8  19  19.510  10.149  -8.391
  160    HBA  MK8  19           HBA      MK8  19  20.760   9.684  -7.281
  161    HD   MK8  19           HD       MK8  19  17.343   8.738  -7.814
  162    HDA  MK8  19           HDA      MK8  19  18.771   7.744  -7.607
  163    HE   MK8  19           HE       MK8  19  17.851   6.631  -5.724
  164    HG   MK8  19           HG       MK8  19  19.266   9.226  -5.513
  165    HGA  MK8  19           HGA      MK8  19  18.007  10.286  -6.123
  166    HB1  MK8  19           HB1      MK8  19  21.176  11.063  -5.225
  167   HB1A  MK8  19          HB1A      MK8  19  20.763  12.759  -5.201
  168   HB1B  MK8  19          HB1B      MK8  19  19.515  11.590  -4.891
  169    H    LEU  20           H        LEU  20  20.211  12.496  -9.404
  170    HA   LEU  20           HA       LEU  20  22.856  12.764 -10.124
  171    HB2  LEU  20           HB2      LEU  20  20.551  12.992 -11.441
  172    HB3  LEU  20           HB3      LEU  20  20.937  14.705 -11.283
  173    HG   LEU  20           HG       LEU  20  21.672  13.855 -13.431
  174   HD11  LEU  20          HD11      LEU  20  24.270  14.129 -12.067
  175   HD12  LEU  20          HD12      LEU  20  23.107  15.423 -11.787
  176   HD13  LEU  20          HD13      LEU  20  23.601  15.022 -13.432
  177   HD21  LEU  20          HD21      LEU  20  22.302  11.548 -12.008
  178   HD22  LEU  20          HD22      LEU  20  23.858  12.203 -12.517
  179   HD23  LEU  20          HD23      LEU  20  22.612  11.860 -13.716
  180    H    GLY  21           H        GLY  21  20.666  15.363  -9.039
  181    HA2  GLY  21           HA2      GLY  21  22.725  17.341  -9.001
  182    HA3  GLY  21           HA3      GLY  21  21.123  17.495  -8.295
  183    H    LEU  22           H        LEU  22  22.191  14.747  -6.988
  184    HA   LEU  22           HA       LEU  22  23.579  16.098  -4.771
  185    HB2  LEU  22           HB2      LEU  22  21.053  14.895  -4.712
  186    HB3  LEU  22           HB3      LEU  22  22.138  13.757  -3.916
  187    HG   LEU  22           HG       LEU  22  21.677  16.634  -3.133
  188   HD11  LEU  22          HD11      LEU  22  21.102  14.889  -1.031
  189   HD12  LEU  22          HD12      LEU  22  20.351  14.173  -2.456
  190   HD13  LEU  22          HD13      LEU  22  19.956  15.827  -1.990
  191   HD21  LEU  22          HD21      LEU  22  23.918  16.196  -2.598
  192   HD22  LEU  22          HD22      LEU  22  23.570  14.536  -2.115
  193   HD23  LEU  22          HD23      LEU  22  23.033  15.879  -1.106
  194    H    LYS  23           H        LYS  23  24.593  14.569  -7.094
  195    HA   LYS  23           HA       LYS  23  26.028  12.482  -5.589
  196    HB2  LYS  23           HB2      LYS  23  24.432  11.472  -7.176
  197    HB3  LYS  23           HB3      LYS  23  25.190  12.357  -8.493
  198    HG2  LYS  23           HG2      LYS  23  27.325  11.164  -7.941
  199    HG3  LYS  23           HG3      LYS  23  26.391  10.162  -6.827
  200    HD2  LYS  23           HD2      LYS  23  25.639  10.466  -9.722
  201    HD3  LYS  23           HD3      LYS  23  26.785   9.240  -9.172
  202    HE2  LYS  23           HE2      LYS  23  25.105   7.917  -8.578
  203    HE3  LYS  23           HE3      LYS  23  24.497   9.157  -7.483
  204    HZ1  LYS  23           HZ1      LYS  23  22.760   8.700  -8.969
  205    HZ2  LYS  23           HZ2      LYS  23  23.776   8.721 -10.320
  206    HZ3  LYS  23           HZ3      LYS  23  23.417  10.162  -9.512
  207    H    ASP  24           H        ASP  24  26.120  14.741  -8.314
  208    HA   ASP  24           HA       ASP  24  29.006  14.497  -8.528
  209    HB2  ASP  24           HB2      ASP  24  27.010  15.097 -10.343
  210    HB3  ASP  24           HB3      ASP  24  27.761  16.661 -10.045
  211    H    GLN  25           H        GLN  25  26.625  16.668  -7.202
  212    HA   GLN  25           HA       GLN  25  28.480  18.829  -6.780
  213    HB2  GLN  25           HB2      GLN  25  25.916  18.973  -7.087
  214    HB3  GLN  25           HB3      GLN  25  25.834  18.537  -5.385
  215    HG2  GLN  25           HG2      GLN  25  25.695  20.898  -5.532
  216    HG3  GLN  25           HG3      GLN  25  27.285  20.498  -4.885
  217   HE21  GLN  25          HE21      GLN  25  27.648  22.762  -5.604
  218   HE22  GLN  25          HE22      GLN  25  28.184  23.010  -7.228
  219    H    VAL  26           H        VAL  26  27.218  16.136  -4.933
  220    HA   VAL  26           HA       VAL  26  27.914  16.899  -2.354
  221    HB   VAL  26           HB       VAL  26  26.610  14.862  -2.924
  222   HG11  VAL  26          HG11      VAL  26  28.966  13.161  -3.217
  223   HG12  VAL  26          HG12      VAL  26  27.437  13.143  -4.096
  224   HG13  VAL  26          HG13      VAL  26  28.714  14.261  -4.573
  225   HG21  VAL  26          HG21      VAL  26  27.894  15.314  -0.716
  226   HG22  VAL  26          HG22      VAL  26  27.225  13.709  -1.011
  227   HG23  VAL  26          HG23      VAL  26  28.946  14.006  -1.260
  228    HN1  NH2  27           HN1      NH2  27  29.751  16.854  -1.130
  229    HN2  NH2  27           HN2      NH2  27  31.327  16.501  -1.756
  Start of MODEL    6
    1    H1   ACE   1           H1       ACE   1  -2.867  16.665 -19.852
    2    H2   ACE   1           H2       ACE   1  -1.314  16.334 -19.050
    3    H3   ACE   1           H3       ACE   1  -1.364  17.367 -20.497
    4    H    LYS   2           H        LYS   2  -0.605  16.416 -22.187
    5    HA   LYS   2           HA       LYS   2  -1.123  13.539 -22.567
    6    HB2  LYS   2           HB2      LYS   2  -1.002  15.792 -24.565
    7    HB3  LYS   2           HB3      LYS   2  -0.844  14.108 -25.049
    8    HG2  LYS   2           HG2      LYS   2  -3.180  14.903 -23.388
    9    HG3  LYS   2           HG3      LYS   2  -3.162  15.329 -25.100
   10    HD2  LYS   2           HD2      LYS   2  -2.396  12.554 -24.486
   11    HD3  LYS   2           HD3      LYS   2  -4.073  12.971 -24.122
   12    HE2  LYS   2           HE2      LYS   2  -4.628  13.080 -26.286
   13    HE3  LYS   2           HE3      LYS   2  -3.169  13.975 -26.707
   14    HZ1  LYS   2           HZ1      LYS   2  -2.866  11.143 -26.067
   15    HZ2  LYS   2           HZ2      LYS   2  -2.041  12.089 -27.202
   16    HZ3  LYS   2           HZ3      LYS   2  -3.598  11.525 -27.544
   17    H    ARG   3           H        ARG   3   1.120  16.099 -23.642
   18    HA   ARG   3           HA       ARG   3   3.251  14.121 -23.861
   19    HB2  ARG   3           HB2      ARG   3   3.217  17.059 -24.574
   20    HB3  ARG   3           HB3      ARG   3   4.541  15.947 -24.896
   21    HG2  ARG   3           HG2      ARG   3   2.666  14.601 -26.156
   22    HG3  ARG   3           HG3      ARG   3   1.893  16.185 -26.224
   23    HD2  ARG   3           HD2      ARG   3   3.940  17.108 -27.240
   24    HD3  ARG   3           HD3      ARG   3   4.656  15.497 -27.221
   25    HE   ARG   3           HE       ARG   3   2.163  15.501 -28.582
   26   HH11  ARG   3          HH11      ARG   3   5.512  16.225 -30.653
   27   HH12  ARG   3          HH12      ARG   3   5.512  16.386 -28.928
   28   HH21  ARG   3          HH21      ARG   3   3.598  15.599 -31.747
   29   HH22  ARG   3          HH22      ARG   3   2.150  15.284 -30.853
   30    H    ILE   4           H        ILE   4   2.931  17.382 -22.441
   31    HA   ILE   4           HA       ILE   4   3.980  16.594 -19.926
   32    HB   ILE   4           HB       ILE   4   6.070  16.523 -21.283
   33   HG12  ILE   4          HG12      ILE   4   6.368  18.837 -19.416
   34   HG13  ILE   4          HG13      ILE   4   5.775  17.310 -18.768
   35   HG21  ILE   4          HG21      ILE   4   5.170  18.623 -22.622
   36   HG22  ILE   4          HG22      ILE   4   6.111  19.489 -21.409
   37   HG23  ILE   4          HG23      ILE   4   6.894  18.300 -22.449
   38   HD11  ILE   4          HD11      ILE   4   7.880  16.376 -20.073
   39   HD12  ILE   4          HD12      ILE   4   8.450  18.023 -19.806
   40   HD13  ILE   4          HD13      ILE   4   7.993  17.016 -18.434
   41    H    GLY   5           H        GLY   5   3.750  18.188 -18.379
   42    HA2  GLY   5           HA2      GLY   5   2.305  20.573 -19.292
   43    HA3  GLY   5           HA3      GLY   5   2.291  19.922 -17.660
   44    H    VAL   6           H        VAL   6   3.370  21.073 -16.216
   45    HA   VAL   6           HA       VAL   6   5.708  22.623 -17.119
   46    HB   VAL   6           HB       VAL   6   3.748  23.508 -14.998
   47   HG11  VAL   6          HG11      VAL   6   4.970  25.715 -15.418
   48   HG12  VAL   6          HG12      VAL   6   5.829  24.471 -14.508
   49   HG13  VAL   6          HG13      VAL   6   6.205  24.738 -16.211
   50   HG21  VAL   6          HG21      VAL   6   3.199  25.289 -16.732
   51   HG22  VAL   6          HG22      VAL   6   3.979  24.230 -17.907
   52   HG23  VAL   6          HG23      VAL   6   2.558  23.671 -17.022
   53    H    ARG   7           H        ARG   7   7.032  20.869 -16.409
   54    HA   ARG   7           HA       ARG   7   8.362  19.757 -14.936
   55    HB2  ARG   7           HB2      ARG   7   7.987  22.418 -13.877
   56    HB3  ARG   7           HB3      ARG   7   8.197  21.259 -12.571
   57    HG2  ARG   7           HG2      ARG   7  10.333  20.686 -13.247
   58    HG3  ARG   7           HG3      ARG   7  10.073  21.259 -14.895
   59    HD2  ARG   7           HD2      ARG   7   9.813  23.315 -12.814
   60    HD3  ARG   7           HD3      ARG   7  11.427  22.621 -12.968
   61    HE   ARG   7           HE       ARG   7  10.144  24.401 -14.791
   62   HH11  ARG   7          HH11      ARG   7  13.261  22.204 -16.015
   63   HH12  ARG   7          HH12      ARG   7  12.409  21.764 -14.572
   64   HH21  ARG   7          HH21      ARG   7  12.606  24.039 -17.221
   65   HH22  ARG   7          HH22      ARG   7  11.258  24.989 -16.694
   66    H    LEU   8           H        LEU   8   7.172  17.904 -14.629
   67    HA   LEU   8           HA       LEU   8   4.868  17.561 -13.154
   68    HB2  LEU   8           HB2      LEU   8   5.806  15.194 -12.761
   69    HB3  LEU   8           HB3      LEU   8   5.490  15.727 -14.411
   70    HG   LEU   8           HG       LEU   8   8.232  16.218 -13.507
   71   HD11  LEU   8          HD11      LEU   8   7.495  13.362 -14.025
   72   HD12  LEU   8          HD12      LEU   8   7.518  14.019 -12.390
   73   HD13  LEU   8          HD13      LEU   8   8.990  14.023 -13.362
   74   HD21  LEU   8          HD21      LEU   8   7.568  14.538 -15.847
   75   HD22  LEU   8          HD22      LEU   8   8.709  15.874 -15.694
   76   HD23  LEU   8          HD23      LEU   8   6.985  16.203 -15.874
   77    HA   PRO   9           HA       PRO   9   5.862  17.965  -8.898
   78    HB2  PRO   9           HB2      PRO   9   4.320  16.030  -7.780
   79    HB3  PRO   9           HB3      PRO   9   3.652  17.524  -8.450
   80    HG2  PRO   9           HG2      PRO   9   3.811  14.799  -9.680
   81    HG3  PRO   9           HG3      PRO   9   2.466  15.956  -9.692
   82    HD2  PRO   9           HD2      PRO   9   4.136  15.641 -11.800
   83    HD3  PRO   9           HD3      PRO   9   3.386  17.200 -11.398
   84    H    GLY  10           H        GLY  10   5.830  14.572  -9.997
   85    HA2  GLY  10           HA2      GLY  10   8.485  14.091  -9.119
   86    HA3  GLY  10           HA3      GLY  10   7.338  13.454  -7.949
   87    H    HIS  11           H        HIS  11   5.692  11.936  -8.785
   88    HA   HIS  11           HA       HIS  11   5.230   9.919  -9.741
   89    HB2  HIS  11           HB2      HIS  11   6.262  11.422 -12.152
   90    HB3  HIS  11           HB3      HIS  11   5.463   9.856 -12.243
   91    HD1  HIS  11           HD1      HIS  11   4.727  13.387 -11.053
   92    HD2  HIS  11           HD2      HIS  11   2.756   9.999 -12.432
   93    HE1  HIS  11           HE1      HIS  11   2.319  14.065 -11.302
   94    H    GLN  12           H        GLN  12   7.873  10.273  -8.550
   95    HA   GLN  12           HA       GLN  12   9.855   9.175  -8.334
   96    HB2  GLN  12           HB2      GLN  12   8.470   7.066  -9.997
   97    HB3  GLN  12           HB3      GLN  12   9.895   6.823  -8.996
   98    HG2  GLN  12           HG2      GLN  12   7.645   7.963  -7.539
   99    HG3  GLN  12           HG3      GLN  12   7.303   6.382  -8.238
  100   HE21  GLN  12          HE21      GLN  12   9.725   8.109  -6.325
  101   HE22  GLN  12          HE22      GLN  12  10.164   6.761  -5.339
  102    H    LYS  13           H        LYS  13   9.417  10.942 -10.662
  103    HA   LYS  13           HA       LYS  13  11.258   9.745 -12.613
  104    HB2  LYS  13           HB2      LYS  13   8.897  11.183 -12.956
  105    HB3  LYS  13           HB3      LYS  13  10.165  12.336 -13.350
  106    HG2  LYS  13           HG2      LYS  13  10.440  11.404 -15.335
  107    HG3  LYS  13           HG3      LYS  13  10.767   9.838 -14.588
  108    HD2  LYS  13           HD2      LYS  13   8.488   9.226 -14.636
  109    HD3  LYS  13           HD3      LYS  13   7.973  10.879 -14.981
  110    HE2  LYS  13           HE2      LYS  13   9.608  10.399 -17.087
  111    HE3  LYS  13           HE3      LYS  13   8.968   8.783 -16.791
  112    HZ1  LYS  13           HZ1      LYS  13   7.709  10.391 -18.351
  113    HZ2  LYS  13           HZ2      LYS  13   7.130  11.077 -16.916
  114    HZ3  LYS  13           HZ3      LYS  13   6.831   9.446 -17.255
  115    H    ARG  14           H        ARG  14  10.701  12.729 -10.768
  116    HA   ARG  14           HA       ARG  14  13.211  13.883 -11.515
  117    HB2  ARG  14           HB2      ARG  14  11.040  15.067 -10.734
  118    HB3  ARG  14           HB3      ARG  14  11.616  14.717  -9.111
  119    HG2  ARG  14           HG2      ARG  14  13.658  15.966  -9.549
  120    HG3  ARG  14           HG3      ARG  14  13.110  16.296 -11.193
  121    HD2  ARG  14           HD2      ARG  14  12.344  18.203 -10.269
  122    HD3  ARG  14           HD3      ARG  14  10.985  17.183  -9.800
  123    HE   ARG  14           HE       ARG  14  12.911  17.009  -7.794
  124   HH11  ARG  14          HH11      ARG  14  10.642  20.306  -7.737
  125   HH12  ARG  14          HH12      ARG  14  10.792  19.387  -9.198
  126   HH21  ARG  14          HH21      ARG  14  11.742  19.636  -5.842
  127   HH22  ARG  14          HH22      ARG  14  12.722  18.210  -5.865
  128    H    MK8  15           H2       MK8  15  12.381  11.397  -9.365
  129    HB   MK8  15           HB       MK8  15  12.399   9.775  -7.403
  130    HBA  MK8  15           HBA      MK8  15  13.279   9.158  -8.771
  131    HD   MK8  15           HD       MK8  15  14.830   7.092  -8.110
  132    HDA  MK8  15           HDA      MK8  15  15.896   8.467  -8.209
  133    HE   MK8  15           HE       MK8  15  15.731   6.616  -5.761
  134    HG   MK8  15           HG       MK8  15  14.650   9.304  -6.026
  135    HGA  MK8  15           HGA      MK8  15  13.503   8.043  -6.375
  136    HB1  MK8  15           HB1      MK8  15  14.753  11.474  -5.973
  137   HB1A  MK8  15          HB1A      MK8  15  14.141  12.912  -6.770
  138   HB1B  MK8  15          HB1B      MK8  15  13.014  11.721  -6.159
  139    H    ALA  16           H        ALA  16  14.603   9.991 -10.093
  140    HA   ALA  16           HA       ALA  16  17.255   9.381 -10.084
  141    HB1  ALA  16           HB1      ALA  16  15.477   8.840 -11.840
  142    HB2  ALA  16           HB2      ALA  16  15.942  10.363 -12.598
  143    HB3  ALA  16           HB3      ALA  16  17.132   9.075 -12.401
  144    H    TYR  17           H        TYR  17  15.870  12.377 -11.432
  145    HA   TYR  17           HA       TYR  17  18.339  13.568 -12.073
  146    HB2  TYR  17           HB2      TYR  17  16.001  14.230 -12.876
  147    HB3  TYR  17           HB3      TYR  17  15.844  15.100 -11.355
  148    HD1  TYR  17           HD1      TYR  17  16.709  15.435 -14.707
  149    HD2  TYR  17           HD2      TYR  17  17.949  16.685 -10.834
  150    HE1  TYR  17           HE1      TYR  17  17.853  17.371 -15.704
  151    HE2  TYR  17           HE2      TYR  17  19.094  18.626 -11.820
  152    HH   TYR  17           HH       TYR  17  18.551  19.909 -14.511
  153    H    SER  18           H        SER  18  16.295  13.766  -9.193
  154    HA   SER  18           HA       SER  18  17.741  15.753  -7.838
  155    HB2  SER  18           HB2      SER  18  15.428  14.671  -7.295
  156    HB3  SER  18           HB3      SER  18  16.382  13.514  -6.368
  157    HG   SER  18           HG       SER  18  15.630  15.960  -5.664
  158    H    MK8  19           H2       MK8  19  18.193  12.216  -8.016
  159    HB   MK8  19           HB       MK8  19  19.624  10.305  -8.576
  160    HBA  MK8  19           HBA      MK8  19  20.846   9.840  -7.429
  161    HD   MK8  19           HD       MK8  19  18.052   8.320  -8.303
  162    HDA  MK8  19           HDA      MK8  19  19.403   7.617  -7.452
  163    HE   MK8  19           HE       MK8  19  18.068   6.868  -5.595
  164    HG   MK8  19           HG       MK8  19  19.220   9.378  -5.690
  165    HGA  MK8  19           HGA      MK8  19  17.916  10.138  -6.581
  166    HB1  MK8  19           HB1      MK8  19  21.101  11.156  -5.269
  167   HB1A  MK8  19          HB1A      MK8  19  20.561  12.822  -5.191
  168   HB1B  MK8  19          HB1B      MK8  19  19.390  11.552  -5.005
  169    H    LEU  20           H        LEU  20  20.218  12.639  -9.438
  170    HA   LEU  20           HA       LEU  20  22.881  12.843 -10.109
  171    HB2  LEU  20           HB2      LEU  20  20.598  13.197 -11.447
  172    HB3  LEU  20           HB3      LEU  20  21.058  14.886 -11.240
  173    HG   LEU  20           HG       LEU  20  21.822  14.160 -13.381
  174   HD11  LEU  20          HD11      LEU  20  24.157  14.210 -11.476
  175   HD12  LEU  20          HD12      LEU  20  23.324  15.627 -12.113
  176   HD13  LEU  20          HD13      LEU  20  24.206  14.560 -13.204
  177   HD21  LEU  20          HD21      LEU  20  22.737  12.156 -13.863
  178   HD22  LEU  20          HD22      LEU  20  21.952  11.672 -12.359
  179   HD23  LEU  20          HD23      LEU  20  23.664  12.096 -12.365
  180    H    GLY  21           H        GLY  21  20.761  15.486  -8.991
  181    HA2  GLY  21           HA2      GLY  21  22.877  17.393  -8.859
  182    HA3  GLY  21           HA3      GLY  21  21.273  17.575  -8.166
  183    H    LEU  22           H        LEU  22  22.220  14.760  -6.925
  184    HA   LEU  22           HA       LEU  22  23.712  15.967  -4.694
  185    HB2  LEU  22           HB2      LEU  22  21.081  15.216  -4.549
  186    HB3  LEU  22           HB3      LEU  22  21.914  13.780  -3.958
  187    HG   LEU  22           HG       LEU  22  23.147  15.551  -2.432
  188   HD11  LEU  22          HD11      LEU  22  21.427  17.233  -3.743
  189   HD12  LEU  22          HD12      LEU  22  22.211  17.564  -2.198
  190   HD13  LEU  22          HD13      LEU  22  20.575  16.907  -2.234
  191   HD21  LEU  22          HD21      LEU  22  21.856  14.787  -0.701
  192   HD22  LEU  22          HD22      LEU  22  21.462  13.596  -1.943
  193   HD23  LEU  22          HD23      LEU  22  20.353  14.928  -1.614
  194    H    LYS  23           H        LYS  23  24.749  14.490  -6.909
  195    HA   LYS  23           HA       LYS  23  25.852  12.188  -5.451
  196    HB2  LYS  23           HB2      LYS  23  24.197  11.366  -7.082
  197    HB3  LYS  23           HB3      LYS  23  25.058  12.196  -8.371
  198    HG2  LYS  23           HG2      LYS  23  26.500  10.524  -8.602
  199    HG3  LYS  23           HG3      LYS  23  26.810  10.453  -6.866
  200    HD2  LYS  23           HD2      LYS  23  24.937   9.028  -6.509
  201    HD3  LYS  23           HD3      LYS  23  24.351   9.282  -8.154
  202    HE2  LYS  23           HE2      LYS  23  27.071   8.277  -8.105
  203    HE3  LYS  23           HE3      LYS  23  25.953   7.200  -7.267
  204    HZ1  LYS  23           HZ1      LYS  23  24.573   7.784  -9.483
  205    HZ2  LYS  23           HZ2      LYS  23  25.575   6.430  -9.323
  206    HZ3  LYS  23           HZ3      LYS  23  26.154   7.826 -10.085
  207    H    ASP  24           H        ASP  24  26.268  14.097  -8.439
  208    HA   ASP  24           HA       ASP  24  29.081  13.654  -8.544
  209    HB2  ASP  24           HB2      ASP  24  27.248  14.481 -10.359
  210    HB3  ASP  24           HB3      ASP  24  27.984  16.023  -9.932
  211    H    GLN  25           H        GLN  25  27.030  16.087  -7.116
  212    HA   GLN  25           HA       GLN  25  28.985  18.084  -6.717
  213    HB2  GLN  25           HB2      GLN  25  26.536  18.459  -6.543
  214    HB3  GLN  25           HB3      GLN  25  26.524  17.526  -5.052
  215    HG2  GLN  25           HG2      GLN  25  26.605  19.654  -4.232
  216    HG3  GLN  25           HG3      GLN  25  28.321  19.260  -4.296
  217   HE21  GLN  25          HE21      GLN  25  28.275  21.709  -4.212
  218   HE22  GLN  25          HE22      GLN  25  28.292  22.529  -5.733
  219    H    VAL  26           H        VAL  26  27.823  15.456  -4.632
  220    HA   VAL  26           HA       VAL  26  29.843  16.084  -2.630
  221    HB   VAL  26           HB       VAL  26  27.854  13.812  -2.610
  222   HG11  VAL  26          HG11      VAL  26  28.331  13.585  -0.322
  223   HG12  VAL  26          HG12      VAL  26  29.907  13.769  -1.098
  224   HG13  VAL  26          HG13      VAL  26  29.172  15.134  -0.256
  225   HG21  VAL  26          HG21      VAL  26  26.951  15.682  -0.814
  226   HG22  VAL  26          HG22      VAL  26  27.488  16.674  -2.170
  227   HG23  VAL  26          HG23      VAL  26  26.292  15.404  -2.425
  228    HN1  NH2  27           HN1      NH2  27  28.799  13.010  -4.150
  229    HN2  NH2  27           HN2      NH2  27  30.392  12.354  -4.336
  Start of MODEL    7
    1    H1   ACE   1           H1       ACE   1  -9.597  24.666 -11.435
    2    H2   ACE   1           H2       ACE   1  -8.350  23.575 -10.783
    3    H3   ACE   1           H3       ACE   1  -8.030  25.322 -10.905
    4    H    LYS   2           H        LYS   2  -6.357  25.328 -12.239
    5    HA   LYS   2           HA       LYS   2  -6.736  25.234 -14.988
    6    HB2  LYS   2           HB2      LYS   2  -4.634  25.872 -13.228
    7    HB3  LYS   2           HB3      LYS   2  -3.987  24.666 -14.333
    8    HG2  LYS   2           HG2      LYS   2  -4.328  26.013 -16.199
    9    HG3  LYS   2           HG3      LYS   2  -5.483  27.048 -15.357
   10    HD2  LYS   2           HD2      LYS   2  -3.832  28.215 -14.247
   11    HD3  LYS   2           HD3      LYS   2  -2.670  26.891 -14.368
   12    HE2  LYS   2           HE2      LYS   2  -1.760  28.087 -16.027
   13    HE3  LYS   2           HE3      LYS   2  -3.118  27.514 -16.994
   14    HZ1  LYS   2           HZ1      LYS   2  -2.808  29.936 -17.101
   15    HZ2  LYS   2           HZ2      LYS   2  -3.109  30.044 -15.440
   16    HZ3  LYS   2           HZ3      LYS   2  -4.326  29.508 -16.487
   17    H    ARG   3           H        ARG   3  -5.095  22.843 -12.916
   18    HA   ARG   3           HA       ARG   3  -5.128  20.926 -15.119
   19    HB2  ARG   3           HB2      ARG   3  -3.688  19.554 -13.689
   20    HB3  ARG   3           HB3      ARG   3  -3.040  21.178 -13.870
   21    HG2  ARG   3           HG2      ARG   3  -4.750  21.045 -11.568
   22    HG3  ARG   3           HG3      ARG   3  -3.517  19.784 -11.498
   23    HD2  ARG   3           HD2      ARG   3  -1.837  21.263 -11.235
   24    HD3  ARG   3           HD3      ARG   3  -2.554  22.429 -12.347
   25    HE   ARG   3           HE       ARG   3  -4.165  22.579 -10.184
   26   HH11  ARG   3          HH11      ARG   3  -0.478  23.831  -9.258
   27   HH12  ARG   3          HH12      ARG   3  -0.715  22.766 -10.604
   28   HH21  ARG   3          HH21      ARG   3  -2.270  24.520  -8.008
   29   HH22  ARG   3          HH22      ARG   3  -3.866  23.980  -8.410
   30    H    ILE   4           H        ILE   4  -5.639  18.601 -14.461
   31    HA   ILE   4           HA       ILE   4  -7.961  18.545 -12.649
   32    HB   ILE   4           HB       ILE   4  -7.737  17.138 -15.314
   33   HG12  ILE   4          HG12      ILE   4  -8.234  19.561 -15.461
   34   HG13  ILE   4          HG13      ILE   4  -9.581  18.567 -16.006
   35   HG21  ILE   4          HG21      ILE   4  -9.775  16.986 -13.114
   36   HG22  ILE   4          HG22      ILE   4 -10.162  16.558 -14.780
   37   HG23  ILE   4          HG23      ILE   4  -8.912  15.670 -13.911
   38   HD11  ILE   4          HD11      ILE   4 -10.697  18.908 -13.865
   39   HD12  ILE   4          HD12      ILE   4  -9.347  19.906 -13.322
   40   HD13  ILE   4          HD13      ILE   4 -10.350  20.439 -14.671
   41    H    GLY   5           H        GLY   5  -7.344  17.357 -10.957
   42    HA2  GLY   5           HA2      GLY   5  -6.685  14.600 -11.289
   43    HA3  GLY   5           HA3      GLY   5  -5.277  15.537 -10.810
   44    H    VAL   6           H        VAL   6  -7.162  13.462  -9.500
   45    HA   VAL   6           HA       VAL   6  -7.758  15.002  -7.061
   46    HB   VAL   6           HB       VAL   6  -8.862  12.327  -7.931
   47   HG11  VAL   6          HG11      VAL   6  -8.977  13.836  -5.399
   48   HG12  VAL   6          HG12      VAL   6 -10.503  13.156  -5.968
   49   HG13  VAL   6          HG13      VAL   6  -9.115  12.104  -5.697
   50   HG21  VAL   6          HG21      VAL   6 -10.907  14.220  -7.627
   51   HG22  VAL   6          HG22      VAL   6  -9.635  15.026  -8.546
   52   HG23  VAL   6          HG23      VAL   6 -10.317  13.508  -9.129
   53    H    ARG   7           H        ARG   7  -5.606  14.912  -6.280
   54    HA   ARG   7           HA       ARG   7  -3.907  14.072  -5.021
   55    HB2  ARG   7           HB2      ARG   7  -5.969  13.236  -3.732
   56    HB3  ARG   7           HB3      ARG   7  -5.634  11.671  -4.460
   57    HG2  ARG   7           HG2      ARG   7  -3.594  11.456  -3.331
   58    HG3  ARG   7           HG3      ARG   7  -3.550  13.170  -2.912
   59    HD2  ARG   7           HD2      ARG   7  -4.548  12.714  -0.983
   60    HD3  ARG   7           HD3      ARG   7  -5.947  12.099  -1.860
   61    HE   ARG   7           HE       ARG   7  -4.195  10.022  -1.892
   62   HH11  ARG   7          HH11      ARG   7  -5.505  10.762   1.818
   63   HH12  ARG   7          HH12      ARG   7  -5.560  12.010   0.619
   64   HH21  ARG   7          HH21      ARG   7  -4.684   8.691   1.282
   65   HH22  ARG   7          HH22      ARG   7  -4.117   8.369  -0.322
   66    H    LEU   8           H        LEU   8  -3.093  13.761  -7.355
   67    HA   LEU   8           HA       LEU   8  -2.984  11.331  -8.654
   68    HB2  LEU   8           HB2      LEU   8  -0.669  12.164  -9.422
   69    HB3  LEU   8           HB3      LEU   8  -2.101  13.102  -9.843
   70    HG   LEU   8           HG       LEU   8  -0.869  13.976  -7.351
   71   HD11  LEU   8          HD11      LEU   8   1.030  15.104  -8.585
   72   HD12  LEU   8          HD12      LEU   8   0.753  13.940  -9.880
   73   HD13  LEU   8          HD13      LEU   8   1.214  13.380  -8.273
   74   HD21  LEU   8          HD21      LEU   8  -1.400  16.075  -8.150
   75   HD22  LEU   8          HD22      LEU   8  -2.618  15.071  -8.938
   76   HD23  LEU   8          HD23      LEU   8  -1.195  15.602  -9.836
   77    HA   PRO   9           HA       PRO   9  -0.502   8.591  -6.290
   78    HB2  PRO   9           HB2      PRO   9   0.874   7.274  -8.223
   79    HB3  PRO   9           HB3      PRO   9  -0.851   7.025  -7.933
   80    HG2  PRO   9           HG2      PRO   9   0.497   8.711 -10.008
   81    HG3  PRO   9           HG3      PRO   9  -0.901   7.633 -10.178
   82    HD2  PRO   9           HD2      PRO   9  -1.152  10.319  -9.948
   83    HD3  PRO   9           HD3      PRO   9  -2.365   9.188  -9.312
   84    H    GLY  10           H        GLY  10   1.790   7.852  -5.926
   85    HA2  GLY  10           HA2      GLY  10   3.515  10.174  -5.906
   86    HA3  GLY  10           HA3      GLY  10   3.838   8.625  -5.144
   87    H    HIS  11           H        HIS  11   4.869  10.666  -7.486
   88    HA   HIS  11           HA       HIS  11   5.731   8.572  -9.340
   89    HB2  HIS  11           HB2      HIS  11   5.834  11.587  -9.478
   90    HB3  HIS  11           HB3      HIS  11   6.596  10.544 -10.675
   91    HD1  HIS  11           HD1      HIS  11   3.117  10.850  -9.143
   92    HD2  HIS  11           HD2      HIS  11   4.976  10.151 -12.792
   93    HE1  HIS  11           HE1      HIS  11   1.253  10.620 -10.815
   94    H    GLN  12           H        GLN  12   8.037   8.855 -10.188
   95    HA   GLN  12           HA       GLN  12   9.922   9.764  -8.162
   96    HB2  GLN  12           HB2      GLN  12   9.918   6.923  -9.197
   97    HB3  GLN  12           HB3      GLN  12  11.130   7.628  -8.135
   98    HG2  GLN  12           HG2      GLN  12   9.262   8.042  -6.488
   99    HG3  GLN  12           HG3      GLN  12   8.254   7.026  -7.519
  100   HE21  GLN  12          HE21      GLN  12  10.492   7.096  -5.008
  101   HE22  GLN  12          HE22      GLN  12  10.798   5.399  -4.894
  102    H    LYS  13           H        LYS  13   9.191  10.578 -10.872
  103    HA   LYS  13           HA       LYS  13  11.245   9.732 -12.666
  104    HB2  LYS  13           HB2      LYS  13   8.857  11.007 -12.977
  105    HB3  LYS  13           HB3      LYS  13   9.980  12.348 -13.161
  106    HG2  LYS  13           HG2      LYS  13  10.831  11.554 -15.112
  107    HG3  LYS  13           HG3      LYS  13  10.554   9.866 -14.676
  108    HD2  LYS  13           HD2      LYS  13   8.346   9.917 -15.348
  109    HD3  LYS  13           HD3      LYS  13   8.216  11.666 -15.146
  110    HE2  LYS  13           HE2      LYS  13   9.685  11.971 -17.102
  111    HE3  LYS  13           HE3      LYS  13   9.740  10.222 -17.314
  112    HZ1  LYS  13           HZ1      LYS  13   7.288  11.893 -17.445
  113    HZ2  LYS  13           HZ2      LYS  13   7.357  10.219 -17.674
  114    HZ3  LYS  13           HZ3      LYS  13   8.112  11.255 -18.778
  115    H    ARG  14           H        ARG  14  10.695  12.713 -10.802
  116    HA   ARG  14           HA       ARG  14  13.205  13.860 -11.560
  117    HB2  ARG  14           HB2      ARG  14  11.048  15.064 -10.798
  118    HB3  ARG  14           HB3      ARG  14  11.595  14.704  -9.166
  119    HG2  ARG  14           HG2      ARG  14  13.661  15.932  -9.580
  120    HG3  ARG  14           HG3      ARG  14  13.122  16.286 -11.223
  121    HD2  ARG  14           HD2      ARG  14  11.085  17.027  -9.348
  122    HD3  ARG  14           HD3      ARG  14  12.619  17.759  -8.879
  123    HE   ARG  14           HE       ARG  14  12.138  18.096 -11.655
  124   HH11  ARG  14          HH11      ARG  14  10.757  20.855  -9.105
  125   HH12  ARG  14          HH12      ARG  14  11.191  19.284  -8.522
  126   HH21  ARG  14          HH21      ARG  14  10.969  21.355 -11.331
  127   HH22  ARG  14          HH22      ARG  14  11.568  20.162 -12.435
  128    H    MK8  15           H2       MK8  15  12.405  11.362  -9.376
  129    HB   MK8  15           HB       MK8  15  12.483   9.781  -7.304
  130    HBA  MK8  15           HBA      MK8  15  13.414   9.133  -8.629
  131    HD   MK8  15           HD       MK8  15  14.809   7.136  -7.964
  132    HDA  MK8  15           HDA      MK8  15  15.933   8.454  -8.171
  133    HE   MK8  15           HE       MK8  15  15.823   6.619  -5.700
  134    HG   MK8  15           HG       MK8  15  14.888   9.477  -6.007
  135    HGA  MK8  15           HGA      MK8  15  13.680   8.223  -6.130
  136    HB1  MK8  15           HB1      MK8  15  13.090  11.734  -6.121
  137   HB1A  MK8  15          HB1A      MK8  15  14.850  11.661  -6.022
  138   HB1B  MK8  15          HB1B      MK8  15  14.051  13.002  -6.827
  139    H    ALA  16           H        ALA  16  14.593   9.997 -10.116
  140    HA   ALA  16           HA       ALA  16  17.242   9.379 -10.110
  141    HB1  ALA  16           HB1      ALA  16  15.558   8.752 -11.853
  142    HB2  ALA  16           HB2      ALA  16  15.807  10.343 -12.576
  143    HB3  ALA  16           HB3      ALA  16  17.145   9.197 -12.483
  144    H    TYR  17           H        TYR  17  15.846  12.406 -11.362
  145    HA   TYR  17           HA       TYR  17  18.321  13.587 -12.042
  146    HB2  TYR  17           HB2      TYR  17  15.977  14.263 -12.818
  147    HB3  TYR  17           HB3      TYR  17  15.840  15.124 -11.289
  148    HD1  TYR  17           HD1      TYR  17  16.671  15.479 -14.648
  149    HD2  TYR  17           HD2      TYR  17  17.960  16.693 -10.778
  150    HE1  TYR  17           HE1      TYR  17  17.814  17.415 -15.643
  151    HE2  TYR  17           HE2      TYR  17  19.105  18.633 -11.764
  152    HH   TYR  17           HH       TYR  17  18.950  20.017 -13.816
  153    H    SER  18           H        SER  18  16.277  13.816  -9.157
  154    HA   SER  18           HA       SER  18  17.752  15.767  -7.794
  155    HB2  SER  18           HB2      SER  18  15.438  14.493  -7.279
  156    HB3  SER  18           HB3      SER  18  16.499  13.613  -6.178
  157    HG   SER  18           HG       SER  18  15.987  15.287  -4.958
  158    H    MK8  19           H2       MK8  19  18.185  12.227  -7.994
  159    HB   MK8  19           HB       MK8  19  19.606  10.345  -8.586
  160    HBA  MK8  19           HBA      MK8  19  20.860   9.868  -7.474
  161    HD   MK8  19           HD       MK8  19  18.084   8.308  -8.306
  162    HDA  MK8  19           HDA      MK8  19  19.463   7.623  -7.480
  163    HE   MK8  19           HE       MK8  19  18.171   6.830  -5.617
  164    HG   MK8  19           HG       MK8  19  19.271   9.370  -5.705
  165    HGA  MK8  19           HGA      MK8  19  17.941  10.113  -6.575
  166    HB1  MK8  19           HB1      MK8  19  19.403  11.522  -4.992
  167   HB1A  MK8  19          HB1A      MK8  19  21.118  11.150  -5.272
  168   HB1B  MK8  19          HB1B      MK8  19  20.557  12.806  -5.163
  169    H    LEU  20           H        LEU  20  20.209  12.636  -9.436
  170    HA   LEU  20           HA       LEU  20  22.874  12.834 -10.107
  171    HB2  LEU  20           HB2      LEU  20  20.584  13.195 -11.441
  172    HB3  LEU  20           HB3      LEU  20  21.062  14.882 -11.244
  173    HG   LEU  20           HG       LEU  20  21.815  14.142 -13.382
  174   HD11  LEU  20          HD11      LEU  20  24.157  14.591 -13.242
  175   HD12  LEU  20          HD12      LEU  20  24.204  14.099 -11.550
  176   HD13  LEU  20          HD13      LEU  20  23.341  15.565 -12.018
  177   HD21  LEU  20          HD21      LEU  20  23.083  12.198 -13.789
  178   HD22  LEU  20          HD22      LEU  20  21.768  11.692 -12.726
  179   HD23  LEU  20          HD23      LEU  20  23.386  11.941 -12.070
  180    H    GLY  21           H        GLY  21  20.758  15.479  -8.986
  181    HA2  GLY  21           HA2      GLY  21  22.874  17.385  -8.862
  182    HA3  GLY  21           HA3      GLY  21  21.272  17.566  -8.162
  183    H    LEU  22           H        LEU  22  22.221  14.753  -6.924
  184    HA   LEU  22           HA       LEU  22  23.717  15.960  -4.696
  185    HB2  LEU  22           HB2      LEU  22  21.089  15.194  -4.550
  186    HB3  LEU  22           HB3      LEU  22  21.934  13.768  -3.954
  187    HG   LEU  22           HG       LEU  22  23.147  15.487  -2.404
  188   HD11  LEU  22          HD11      LEU  22  22.114  17.490  -1.973
  189   HD12  LEU  22          HD12      LEU  22  20.558  16.951  -2.607
  190   HD13  LEU  22          HD13      LEU  22  21.868  17.355  -3.715
  191   HD21  LEU  22          HD21      LEU  22  21.999  14.231  -0.979
  192   HD22  LEU  22          HD22      LEU  22  20.752  13.914  -2.185
  193   HD23  LEU  22          HD23      LEU  22  20.644  15.345  -1.157
  194    H    LYS  23           H        LYS  23  24.738  14.478  -6.925
  195    HA   LYS  23           HA       LYS  23  25.814  12.147  -5.484
  196    HB2  LYS  23           HB2      LYS  23  24.572  12.286  -8.168
  197    HB3  LYS  23           HB3      LYS  23  26.046  11.334  -8.052
  198    HG2  LYS  23           HG2      LYS  23  24.658  10.437  -5.895
  199    HG3  LYS  23           HG3      LYS  23  23.357  10.781  -7.038
  200    HD2  LYS  23           HD2      LYS  23  25.718   9.334  -8.088
  201    HD3  LYS  23           HD3      LYS  23  24.666   8.449  -6.980
  202    HE2  LYS  23           HE2      LYS  23  22.738   8.994  -8.401
  203    HE3  LYS  23           HE3      LYS  23  23.809   9.846  -9.513
  204    HZ1  LYS  23           HZ1      LYS  23  23.812   7.856 -10.536
  205    HZ2  LYS  23           HZ2      LYS  23  23.419   6.991  -9.137
  206    HZ3  LYS  23           HZ3      LYS  23  25.014   7.487  -9.405
  207    H    ASP  24           H        ASP  24  26.369  14.102  -8.420
  208    HA   ASP  24           HA       ASP  24  29.100  13.640  -8.643
  209    HB2  ASP  24           HB2      ASP  24  27.405  14.894 -10.213
  210    HB3  ASP  24           HB3      ASP  24  27.976  16.322  -9.354
  211    H    GLN  25           H        GLN  25  27.359  16.033  -6.732
  212    HA   GLN  25           HA       GLN  25  29.624  17.522  -5.920
  213    HB2  GLN  25           HB2      GLN  25  26.929  17.843  -5.671
  214    HB3  GLN  25           HB3      GLN  25  27.367  17.386  -4.030
  215    HG2  GLN  25           HG2      GLN  25  28.717  19.251  -3.735
  216    HG3  GLN  25           HG3      GLN  25  28.860  19.541  -5.468
  217   HE21  GLN  25          HE21      GLN  25  28.251  21.632  -3.928
  218   HE22  GLN  25          HE22      GLN  25  26.596  22.087  -4.121
  219    H    VAL  26           H        VAL  26  27.825  14.879  -4.373
  220    HA   VAL  26           HA       VAL  26  29.335  14.771  -2.008
  221    HB   VAL  26           HB       VAL  26  27.908  12.489  -3.382
  222   HG11  VAL  26          HG11      VAL  26  28.903  11.304  -1.759
  223   HG12  VAL  26          HG12      VAL  26  29.335  12.746  -0.837
  224   HG13  VAL  26          HG13      VAL  26  27.715  12.062  -0.698
  225   HG21  VAL  26          HG21      VAL  26  26.255  13.255  -1.397
  226   HG22  VAL  26          HG22      VAL  26  26.955  14.813  -1.836
  227   HG23  VAL  26          HG23      VAL  26  26.129  13.844  -3.055
  228    HN1  NH2  27           HN1      NH2  27  31.329  14.069  -1.572
  229    HN2  NH2  27           HN2      NH2  27  32.307  13.087  -2.611
  Start of MODEL    8
    1    H1   ACE   1           H1       ACE   1  -7.796  29.642  -4.613
    2    H2   ACE   1           H2       ACE   1  -8.614  30.553  -5.905
    3    H3   ACE   1           H3       ACE   1  -9.567  29.563  -4.772
    4    H    LYS   2           H        LYS   2  -6.504  28.647  -6.156
    5    HA   LYS   2           HA       LYS   2  -7.798  26.845  -8.052
    6    HB2  LYS   2           HB2      LYS   2  -4.890  27.554  -7.630
    7    HB3  LYS   2           HB3      LYS   2  -5.472  26.435  -8.855
    8    HG2  LYS   2           HG2      LYS   2  -6.146  28.080 -10.218
    9    HG3  LYS   2           HG3      LYS   2  -6.773  29.062  -8.890
   10    HD2  LYS   2           HD2      LYS   2  -4.805  30.165  -8.599
   11    HD3  LYS   2           HD3      LYS   2  -3.830  28.774  -9.077
   12    HE2  LYS   2           HE2      LYS   2  -3.499  29.892 -10.986
   13    HE3  LYS   2           HE3      LYS   2  -5.140  29.393 -11.397
   14    HZ1  LYS   2           HZ1      LYS   2  -5.509  31.624  -9.894
   15    HZ2  LYS   2           HZ2      LYS   2  -5.553  31.558 -11.584
   16    HZ3  LYS   2           HZ3      LYS   2  -4.127  32.005 -10.792
   17    H    ARG   3           H        ARG   3  -8.594  25.731  -5.967
   18    HA   ARG   3           HA       ARG   3  -6.610  23.961  -4.778
   19    HB2  ARG   3           HB2      ARG   3  -8.480  23.230  -3.328
   20    HB3  ARG   3           HB3      ARG   3  -8.212  24.967  -3.272
   21    HG2  ARG   3           HG2      ARG   3 -10.226  25.438  -4.148
   22    HG3  ARG   3           HG3      ARG   3 -10.181  24.067  -5.258
   23    HD2  ARG   3           HD2      ARG   3 -11.301  22.740  -3.842
   24    HD3  ARG   3           HD3      ARG   3 -10.375  23.297  -2.448
   25    HE   ARG   3           HE       ARG   3 -12.939  24.245  -3.309
   26   HH11  ARG   3          HH11      ARG   3 -10.780  26.317  -0.649
   27   HH12  ARG   3          HH12      ARG   3 -10.021  25.089  -1.608
   28   HH21  ARG   3          HH21      ARG   3 -13.015  26.753  -0.903
   29   HH22  ARG   3          HH22      ARG   3 -13.950  25.859  -2.053
   30    H    ILE   4           H        ILE   4  -6.585  23.256  -7.279
   31    HA   ILE   4           HA       ILE   4  -7.687  20.605  -7.281
   32    HB   ILE   4           HB       ILE   4  -9.617  21.904  -8.111
   33   HG12  ILE   4          HG12      ILE   4  -9.921  20.608 -10.242
   34   HG13  ILE   4          HG13      ILE   4  -8.238  20.108 -10.115
   35   HG21  ILE   4          HG21      ILE   4  -8.383  23.745  -9.138
   36   HG22  ILE   4          HG22      ILE   4  -7.782  22.651 -10.383
   37   HG23  ILE   4          HG23      ILE   4  -9.505  23.010 -10.284
   38   HD11  ILE   4          HD11      ILE   4  -9.666  19.586  -7.668
   39   HD12  ILE   4          HD12      ILE   4 -10.448  18.822  -9.052
   40   HD13  ILE   4          HD13      ILE   4  -8.754  18.486  -8.701
   41    H    GLY   5           H        GLY   5  -6.553  19.235  -8.593
   42    HA2  GLY   5           HA2      GLY   5  -5.268  19.463 -10.895
   43    HA3  GLY   5           HA3      GLY   5  -4.180  20.373  -9.858
   44    H    VAL   6           H        VAL   6  -4.460  17.516 -11.283
   45    HA   VAL   6           HA       VAL   6  -3.381  15.978  -9.018
   46    HB   VAL   6           HB       VAL   6  -5.352  14.990 -10.130
   47   HG11  VAL   6          HG11      VAL   6  -5.086  14.059 -12.410
   48   HG12  VAL   6          HG12      VAL   6  -5.052  15.822 -12.372
   49   HG13  VAL   6          HG13      VAL   6  -3.550  14.915 -12.547
   50   HG21  VAL   6          HG21      VAL   6  -2.781  13.460 -10.515
   51   HG22  VAL   6          HG22      VAL   6  -3.746  13.529  -9.041
   52   HG23  VAL   6          HG23      VAL   6  -4.396  12.749 -10.484
   53    H    ARG   7           H        ARG   7  -1.405  14.984  -9.149
   54    HA   ARG   7           HA       ARG   7   0.522  16.139 -10.878
   55    HB2  ARG   7           HB2      ARG   7   0.549  14.632  -8.512
   56    HB3  ARG   7           HB3      ARG   7   1.420  13.661  -9.692
   57    HG2  ARG   7           HG2      ARG   7   2.502  16.112 -10.124
   58    HG3  ARG   7           HG3      ARG   7   2.173  16.172  -8.391
   59    HD2  ARG   7           HD2      ARG   7   3.264  13.764  -8.473
   60    HD3  ARG   7           HD3      ARG   7   4.025  14.420  -9.923
   61    HE   ARG   7           HE       ARG   7   4.269  16.201  -7.718
   62   HH11  ARG   7          HH11      ARG   7   7.121  13.463  -8.350
   63   HH12  ARG   7          HH12      ARG   7   5.565  13.273  -9.085
   64   HH21  ARG   7          HH21      ARG   7   7.547  15.280  -7.018
   65   HH22  ARG   7          HH22      ARG   7   6.315  16.464  -6.745
   66    H    LEU   8           H        LEU   8   1.606  15.302 -12.633
   67    HA   LEU   8           HA       LEU   8   0.193  13.623 -14.371
   68    HB2  LEU   8           HB2      LEU   8   2.957  14.727 -14.294
   69    HB3  LEU   8           HB3      LEU   8   2.587  13.458 -15.460
   70    HG   LEU   8           HG       LEU   8   0.918  14.844 -16.512
   71   HD11  LEU   8          HD11      LEU   8   0.875  17.311 -15.677
   72   HD12  LEU   8          HD12      LEU   8   1.397  16.603 -14.149
   73   HD13  LEU   8          HD13      LEU   8  -0.122  16.092 -14.884
   74   HD21  LEU   8          HD21      LEU   8   2.804  15.387 -17.624
   75   HD22  LEU   8          HD22      LEU   8   3.686  15.796 -16.152
   76   HD23  LEU   8          HD23      LEU   8   2.555  16.954 -16.854
   77    HA   PRO   9           HA       PRO   9   1.274   9.511 -13.286
   78    HB2  PRO   9           HB2      PRO   9   1.609   8.340 -15.711
   79    HB3  PRO   9           HB3      PRO   9   0.026   8.811 -15.082
   80    HG2  PRO   9           HG2      PRO   9   1.791  10.240 -17.033
   81    HG3  PRO   9           HG3      PRO   9   0.036   9.994 -17.084
   82    HD2  PRO   9           HD2      PRO   9   1.159  12.319 -16.269
   83    HD3  PRO   9           HD3      PRO   9  -0.375  11.715 -15.607
   84    H    GLY  10           H        GLY  10   2.903   7.667 -14.329
   85    HA2  GLY  10           HA2      GLY  10   5.090   6.966 -14.343
   86    HA3  GLY  10           HA3      GLY  10   5.416   8.432 -15.257
   87    H    HIS  11           H        HIS  11   4.340   7.966 -11.900
   88    HA   HIS  11           HA       HIS  11   5.903  10.013 -10.837
   89    HB2  HIS  11           HB2      HIS  11   5.079   7.540  -9.319
   90    HB3  HIS  11           HB3      HIS  11   5.336   9.160  -8.681
   91    HD1  HIS  11           HD1      HIS  11   3.598  10.353 -11.223
   92    HD2  HIS  11           HD2      HIS  11   2.430   7.634  -8.305
   93    HE1  HIS  11           HE1      HIS  11   1.089  10.493 -11.140
   94    H    GLN  12           H        GLN  12   7.632   9.654  -9.122
   95    HA   GLN  12           HA       GLN  12   9.759   9.045  -8.598
   96    HB2  GLN  12           HB2      GLN  12   8.453   6.781  -8.433
   97    HB3  GLN  12           HB3      GLN  12   9.347   6.375  -9.891
   98    HG2  GLN  12           HG2      GLN  12  11.140   5.868  -8.707
   99    HG3  GLN  12           HG3      GLN  12  11.141   7.462  -7.954
  100   HE21  GLN  12          HE21      GLN  12  11.434   7.123  -5.862
  101   HE22  GLN  12          HE22      GLN  12  10.523   6.030  -4.882
  102    H    LYS  13           H        LYS  13   9.413  10.447 -10.973
  103    HA   LYS  13           HA       LYS  13  11.318   9.195 -12.829
  104    HB2  LYS  13           HB2      LYS  13   9.118   9.930 -13.742
  105    HB3  LYS  13           HB3      LYS  13   9.521  11.583 -13.295
  106    HG2  LYS  13           HG2      LYS  13  10.603  11.866 -15.200
  107    HG3  LYS  13           HG3      LYS  13  11.658  10.497 -14.839
  108    HD2  LYS  13           HD2      LYS  13   8.905  10.238 -16.042
  109    HD3  LYS  13           HD3      LYS  13  10.395  10.295 -16.987
  110    HE2  LYS  13           HE2      LYS  13  10.733   8.126 -16.647
  111    HE3  LYS  13           HE3      LYS  13  10.679   8.364 -14.901
  112    HZ1  LYS  13           HZ1      LYS  13   9.008   6.776 -15.702
  113    HZ2  LYS  13           HZ2      LYS  13   8.294   7.995 -16.631
  114    HZ3  LYS  13           HZ3      LYS  13   8.302   8.113 -14.943
  115    H    ARG  14           H        ARG  14  10.547  12.464 -11.614
  116    HA   ARG  14           HA       ARG  14  13.137  13.481 -12.219
  117    HB2  ARG  14           HB2      ARG  14  11.013  14.834 -12.046
  118    HB3  ARG  14           HB3      ARG  14  11.127  14.658 -10.300
  119    HG2  ARG  14           HG2      ARG  14  13.254  15.824 -10.296
  120    HG3  ARG  14           HG3      ARG  14  13.203  15.952 -12.056
  121    HD2  ARG  14           HD2      ARG  14  11.166  17.297 -11.895
  122    HD3  ARG  14           HD3      ARG  14  11.212  17.160 -10.138
  123    HE   ARG  14           HE       ARG  14  13.612  18.240 -10.702
  124   HH11  ARG  14          HH11      ARG  14  10.707  20.763 -11.811
  125   HH12  ARG  14          HH12      ARG  14  10.372  19.068 -11.668
  126   HH21  ARG  14          HH21      ARG  14  12.810  21.556 -11.367
  127   HH22  ARG  14          HH22      ARG  14  14.066  20.468 -10.887
  128    H    MK8  15           H2       MK8  15  11.987  11.502  -9.657
  129    HB   MK8  15           HB       MK8  15  11.799  10.242  -7.658
  130    HBA  MK8  15           HBA      MK8  15  13.144   9.389  -8.359
  131    HD   MK8  15           HD       MK8  15  15.289  10.540  -5.899
  132    HDA  MK8  15           HDA      MK8  15  14.846   9.270  -4.804
  133    HE   MK8  15           HE       MK8  15  14.987   7.609  -6.854
  134    HG   MK8  15           HG       MK8  15  12.817  10.344  -5.472
  135    HGA  MK8  15           HGA      MK8  15  12.830   8.706  -6.052
  136    HB1  MK8  15           HB1      MK8  15  12.251  12.690  -6.691
  137   HB1A  MK8  15          HB1A      MK8  15  13.885  12.363  -6.103
  138   HB1B  MK8  15          HB1B      MK8  15  13.623  13.599  -7.318
  139    H    ALA  16           H        ALA  16  14.293  10.200 -10.006
  140    HA   ALA  16           HA       ALA  16  16.917   9.597  -9.562
  141    HB1  ALA  16           HB1      ALA  16  16.143  10.299 -12.350
  142    HB2  ALA  16           HB2      ALA  16  17.030   8.901 -11.741
  143    HB3  ALA  16           HB3      ALA  16  15.281   8.996 -11.531
  144    H    TYR  17           H        TYR  17  15.605  12.602 -10.830
  145    HA   TYR  17           HA       TYR  17  18.022  13.751 -11.699
  146    HB2  TYR  17           HB2      TYR  17  15.644  14.542 -12.180
  147    HB3  TYR  17           HB3      TYR  17  15.682  15.300 -10.592
  148    HD1  TYR  17           HD1      TYR  17  16.258  15.813 -14.006
  149    HD2  TYR  17           HD2      TYR  17  17.810  16.839 -10.179
  150    HE1  TYR  17           HE1      TYR  17  17.347  17.788 -14.985
  151    HE2  TYR  17           HE2      TYR  17  18.904  18.818 -11.147
  152    HH   TYR  17           HH       TYR  17  19.054  20.133 -12.966
  153    H    SER  18           H        SER  18  16.299  13.977  -8.603
  154    HA   SER  18           HA       SER  18  17.992  15.779  -7.324
  155    HB2  SER  18           HB2      SER  18  15.759  14.262  -6.614
  156    HB3  SER  18           HB3      SER  18  17.022  13.732  -5.504
  157    HG   SER  18           HG       SER  18  15.891  15.547  -4.699
  158    H    MK8  19           H2       MK8  19  18.363  12.272  -7.864
  159    HB   MK8  19           HB       MK8  19  19.935  10.408  -8.774
  160    HBA  MK8  19           HBA      MK8  19  21.201   9.924  -7.716
  161    HD   MK8  19           HD       MK8  19  17.607  10.302  -6.010
  162    HDA  MK8  19           HDA      MK8  19  17.645  10.426  -7.759
  163    HE   MK8  19           HE       MK8  19  17.187   7.739  -7.658
  164    HG   MK8  19           HG       MK8  19  19.342   8.394  -7.596
  165    HGA  MK8  19           HGA      MK8  19  19.639   9.071  -6.018
  166    HB1  MK8  19           HB1      MK8  19  19.814  11.175  -5.071
  167   HB1A  MK8  19          HB1A      MK8  19  21.523  10.958  -5.490
  168   HB1B  MK8  19          HB1B      MK8  19  20.878  12.549  -5.139
  169    H    LEU  20           H        LEU  20  20.276  12.780  -9.426
  170    HA   LEU  20           HA       LEU  20  22.892  13.064 -10.249
  171    HB2  LEU  20           HB2      LEU  20  20.550  13.468 -11.429
  172    HB3  LEU  20           HB3      LEU  20  20.949  15.149 -11.084
  173    HG   LEU  20           HG       LEU  20  21.587  14.551 -13.351
  174   HD11  LEU  20          HD11      LEU  20  24.220  14.701 -11.997
  175   HD12  LEU  20          HD12      LEU  20  23.054  15.981 -11.663
  176   HD13  LEU  20          HD13      LEU  20  23.565  15.665 -13.321
  177   HD21  LEU  20          HD21      LEU  20  23.798  12.911 -13.100
  178   HD22  LEU  20          HD22      LEU  20  22.216  12.448 -13.728
  179   HD23  LEU  20          HD23      LEU  20  22.604  12.177 -12.029
  180    H    GLY  21           H        GLY  21  20.830  15.577  -8.779
  181    HA2  GLY  21           HA2      GLY  21  22.938  17.495  -8.638
  182    HA3  GLY  21           HA3      GLY  21  21.379  17.604  -7.835
  183    H    LEU  22           H        LEU  22  22.438  14.709  -6.889
  184    HA   LEU  22           HA       LEU  22  24.039  15.762  -4.655
  185    HB2  LEU  22           HB2      LEU  22  21.435  14.911  -4.437
  186    HB3  LEU  22           HB3      LEU  22  22.352  13.477  -3.984
  187    HG   LEU  22           HG       LEU  22  22.972  16.100  -2.692
  188   HD11  LEU  22          HD11      LEU  22  21.295  14.937  -0.908
  189   HD12  LEU  22          HD12      LEU  22  20.485  14.564  -2.430
  190   HD13  LEU  22          HD13      LEU  22  20.840  16.239  -2.006
  191   HD21  LEU  22          HD21      LEU  22  23.661  14.685  -0.862
  192   HD22  LEU  22          HD22      LEU  22  24.425  14.134  -2.354
  193   HD23  LEU  22          HD23      LEU  22  23.046  13.256  -1.693
  194    H    LYS  23           H        LYS  23  24.926  14.469  -7.070
  195    HA   LYS  23           HA       LYS  23  26.281  12.177  -5.850
  196    HB2  LYS  23           HB2      LYS  23  24.466  11.225  -7.170
  197    HB3  LYS  23           HB3      LYS  23  24.970  12.155  -8.574
  198    HG2  LYS  23           HG2      LYS  23  26.600  10.712  -9.105
  199    HG3  LYS  23           HG3      LYS  23  27.059  10.450  -7.421
  200    HD2  LYS  23           HD2      LYS  23  24.865   9.122  -7.247
  201    HD3  LYS  23           HD3      LYS  23  24.889   9.119  -9.013
  202    HE2  LYS  23           HE2      LYS  23  27.009   7.993  -9.036
  203    HE3  LYS  23           HE3      LYS  23  27.162   8.147  -7.287
  204    HZ1  LYS  23           HZ1      LYS  23  25.473   6.591  -6.935
  205    HZ2  LYS  23           HZ2      LYS  23  26.396   5.924  -8.185
  206    HZ3  LYS  23           HZ3      LYS  23  24.920   6.673  -8.533
  207    H    ASP  24           H        ASP  24  26.127  14.334  -8.669
  208    HA   ASP  24           HA       ASP  24  28.836  13.910  -9.431
  209    HB2  ASP  24           HB2      ASP  24  26.620  15.120 -10.580
  210    HB3  ASP  24           HB3      ASP  24  27.715  16.465 -10.276
  211    H    GLN  25           H        GLN  25  27.245  16.028  -7.193
  212    HA   GLN  25           HA       GLN  25  29.473  17.844  -6.954
  213    HB2  GLN  25           HB2      GLN  25  26.997  18.396  -6.568
  214    HB3  GLN  25           HB3      GLN  25  27.183  17.594  -5.014
  215    HG2  GLN  25           HG2      GLN  25  27.728  19.618  -4.261
  216    HG3  GLN  25           HG3      GLN  25  29.297  19.302  -5.000
  217   HE21  GLN  25          HE21      GLN  25  29.987  21.055  -5.980
  218   HE22  GLN  25          HE22      GLN  25  29.040  22.112  -6.965
  219    H    VAL  26           H        VAL  26  28.243  15.024  -5.279
  220    HA   VAL  26           HA       VAL  26  30.552  15.163  -3.448
  221    HB   VAL  26           HB       VAL  26  27.954  13.718  -2.919
  222   HG11  VAL  26          HG11      VAL  26  30.525  14.007  -1.490
  223   HG12  VAL  26          HG12      VAL  26  29.060  14.105  -0.510
  224   HG13  VAL  26          HG13      VAL  26  29.371  12.673  -1.495
  225   HG21  VAL  26          HG21      VAL  26  28.753  16.523  -2.475
  226   HG22  VAL  26          HG22      VAL  26  27.150  15.817  -2.674
  227   HG23  VAL  26          HG23      VAL  26  27.970  15.716  -1.117
  228    HN1  NH2  27           HN1      NH2  27  31.929  14.046  -4.888
  229    HN2  NH2  27           HN2      NH2  27  31.745  12.350  -5.194
  Start of MODEL    9
    1    H1   ACE   1           H1       ACE   1  11.460  -1.976   9.078
    2    H2   ACE   1           H2       ACE   1  13.241  -2.015   9.087
    3    H3   ACE   1           H3       ACE   1  12.369  -0.856  10.121
    4    H    LYS   2           H        LYS   2  10.752   0.489   8.814
    5    HA   LYS   2           HA       LYS   2  10.372   2.100   7.249
    6    HB2  LYS   2           HB2      LYS   2  12.569   2.838   8.262
    7    HB3  LYS   2           HB3      LYS   2  13.370   2.094   6.884
    8    HG2  LYS   2           HG2      LYS   2  12.739   3.732   5.457
    9    HG3  LYS   2           HG3      LYS   2  11.207   4.018   6.287
   10    HD2  LYS   2           HD2      LYS   2  12.150   5.846   7.152
   11    HD3  LYS   2           HD3      LYS   2  13.139   4.764   8.136
   12    HE2  LYS   2           HE2      LYS   2  14.804   4.712   6.291
   13    HE3  LYS   2           HE3      LYS   2  13.840   5.914   5.437
   14    HZ1  LYS   2           HZ1      LYS   2  14.321   6.787   8.073
   15    HZ2  LYS   2           HZ2      LYS   2  14.790   7.509   6.617
   16    HZ3  LYS   2           HZ3      LYS   2  15.794   6.364   7.356
   17    H    ARG   3           H        ARG   3   9.404   0.377   5.916
   18    HA   ARG   3           HA       ARG   3  11.005  -0.252   3.529
   19    HB2  ARG   3           HB2      ARG   3   8.626  -1.609   4.783
   20    HB3  ARG   3           HB3      ARG   3   9.123  -1.947   3.130
   21    HG2  ARG   3           HG2      ARG   3  11.360  -2.111   4.944
   22    HG3  ARG   3           HG3      ARG   3  10.043  -3.175   5.442
   23    HD2  ARG   3           HD2      ARG   3  10.056  -3.710   2.824
   24    HD3  ARG   3           HD3      ARG   3  11.747  -3.255   3.022
   25    HE   ARG   3           HE       ARG   3  12.101  -5.222   4.127
   26   HH11  ARG   3          HH11      ARG   3   8.243  -6.084   4.767
   27   HH12  ARG   3          HH12      ARG   3   8.684  -4.556   4.081
   28   HH21  ARG   3          HH21      ARG   3   9.865  -7.609   5.310
   29   HH22  ARG   3          HH22      ARG   3  11.534  -7.238   5.032
   30    H    ILE   4           H        ILE   4   7.621   0.474   4.403
   31    HA   ILE   4           HA       ILE   4   5.979   1.610   3.310
   32    HB   ILE   4           HB       ILE   4   8.319   3.138   2.164
   33   HG12  ILE   4          HG12      ILE   4   8.196   3.140   4.638
   34   HG13  ILE   4          HG13      ILE   4   7.908   4.734   3.952
   35   HG21  ILE   4          HG21      ILE   4   6.732   3.976   0.814
   36   HG22  ILE   4          HG22      ILE   4   5.415   3.391   1.830
   37   HG23  ILE   4          HG23      ILE   4   6.250   4.888   2.244
   38   HD11  ILE   4          HD11      ILE   4   6.390   4.260   5.790
   39   HD12  ILE   4          HD12      ILE   4   5.513   4.443   4.270
   40   HD13  ILE   4          HD13      ILE   4   5.792   2.835   4.938
   41    H    GLY   5           H        GLY   5   5.365  -0.233   2.074
   42    HA2  GLY   5           HA2      GLY   5   4.592  -0.995   0.020
   43    HA3  GLY   5           HA3      GLY   5   5.570   0.230  -0.772
   44    H    VAL   6           H        VAL   6   5.398  -2.313  -1.804
   45    HA   VAL   6           HA       VAL   6   7.932  -3.599  -1.053
   46    HB   VAL   6           HB       VAL   6   5.700  -4.702  -2.765
   47   HG11  VAL   6          HG11      VAL   6   7.548  -5.894  -3.437
   48   HG12  VAL   6          HG12      VAL   6   8.340  -5.762  -1.865
   49   HG13  VAL   6          HG13      VAL   6   6.987  -6.873  -2.081
   50   HG21  VAL   6          HG21      VAL   6   5.722  -6.242  -0.547
   51   HG22  VAL   6          HG22      VAL   6   6.157  -4.679   0.145
   52   HG23  VAL   6          HG23      VAL   6   4.659  -4.852  -0.770
   53    H    ARG   7           H        ARG   7   6.058  -2.688  -3.944
   54    HA   ARG   7           HA       ARG   7   8.414  -1.737  -5.272
   55    HB2  ARG   7           HB2      ARG   7   8.344  -3.284  -7.163
   56    HB3  ARG   7           HB3      ARG   7   8.661  -4.145  -5.663
   57    HG2  ARG   7           HG2      ARG   7   7.086  -5.542  -6.442
   58    HG3  ARG   7           HG3      ARG   7   5.979  -4.346  -5.765
   59    HD2  ARG   7           HD2      ARG   7   5.177  -3.860  -7.781
   60    HD3  ARG   7           HD3      ARG   7   6.799  -3.568  -8.408
   61    HE   ARG   7           HE       ARG   7   6.724  -5.617  -9.406
   62   HH11  ARG   7          HH11      ARG   7   3.662  -7.068  -7.275
   63   HH12  ARG   7          HH12      ARG   7   4.334  -5.522  -6.876
   64   HH21  ARG   7          HH21      ARG   7   4.524  -8.280  -9.016
   65   HH22  ARG   7          HH22      ARG   7   5.847  -7.654  -9.940
   66    H    LEU   8           H        LEU   8   7.913  -0.254  -6.802
   67    HA   LEU   8           HA       LEU   8   5.061   0.046  -7.475
   68    HB2  LEU   8           HB2      LEU   8   7.209   2.031  -6.883
   69    HB3  LEU   8           HB3      LEU   8   5.878   2.486  -7.945
   70    HG   LEU   8           HG       LEU   8   5.518   3.228  -5.638
   71   HD11  LEU   8          HD11      LEU   8   3.262   2.338  -5.369
   72   HD12  LEU   8          HD12      LEU   8   3.627   1.047  -6.512
   73   HD13  LEU   8          HD13      LEU   8   3.598   2.724  -7.057
   74   HD21  LEU   8          HD21      LEU   8   5.588   1.883  -3.813
   75   HD22  LEU   8          HD22      LEU   8   6.718   0.988  -4.828
   76   HD23  LEU   8          HD23      LEU   8   5.041   0.460  -4.699
   77    HA   PRO   9           HA       PRO   9   5.941  -0.273 -11.762
   78    HB2  PRO   9           HB2      PRO   9   4.263   1.574 -12.832
   79    HB3  PRO   9           HB3      PRO   9   3.698   0.045 -12.145
   80    HG2  PRO   9           HG2      PRO   9   3.740   2.773 -10.914
   81    HG3  PRO   9           HG3      PRO   9   2.462   1.544 -10.867
   82    HD2  PRO   9           HD2      PRO   9   4.173   1.950  -8.807
   83    HD3  PRO   9           HD3      PRO   9   3.499   0.351  -9.189
   84    H    GLY  10           H        GLY  10   6.124   2.926 -10.317
   85    HA2  GLY  10           HA2      GLY  10   8.524   3.773 -11.022
   86    HA3  GLY  10           HA3      GLY  10   7.695   3.943 -12.562
   87    H    HIS  11           H        HIS  11   7.599   4.952  -9.171
   88    HA   HIS  11           HA       HIS  11   6.196   7.399 -10.024
   89    HB2  HIS  11           HB2      HIS  11   6.121   5.855  -7.441
   90    HB3  HIS  11           HB3      HIS  11   5.630   7.545  -7.509
   91    HD1  HIS  11           HD1      HIS  11   4.740   4.244  -9.169
   92    HD2  HIS  11           HD2      HIS  11   3.031   7.906  -8.201
   93    HE1  HIS  11           HE1      HIS  11   2.308   4.034  -9.775
   94    H    GLN  12           H        GLN  12   8.730   7.624 -10.561
   95    HA   GLN  12           HA       GLN  12   9.837   9.214  -8.346
   96    HB2  GLN  12           HB2      GLN  12  11.142   7.108 -10.003
   97    HB3  GLN  12           HB3      GLN  12  12.107   8.498  -9.524
   98    HG2  GLN  12           HG2      GLN  12  12.545   7.319  -7.688
   99    HG3  GLN  12           HG3      GLN  12  10.933   7.811  -7.168
  100   HE21  GLN  12          HE21      GLN  12  10.097   6.125  -6.155
  101   HE22  GLN  12          HE22      GLN  12  10.033   4.509  -6.766
  102    H    LYS  13           H        LYS  13  10.996   8.625 -11.642
  103    HA   LYS  13           HA       LYS  13  11.350  10.013 -13.411
  104    HB2  LYS  13           HB2      LYS  13   8.951  11.057 -12.142
  105    HB3  LYS  13           HB3      LYS  13   9.875  12.325 -12.939
  106    HG2  LYS  13           HG2      LYS  13   9.792  11.137 -15.030
  107    HG3  LYS  13           HG3      LYS  13   8.996   9.764 -14.257
  108    HD2  LYS  13           HD2      LYS  13   7.037  10.709 -14.715
  109    HD3  LYS  13           HD3      LYS  13   7.455  12.024 -13.615
  110    HE2  LYS  13           HE2      LYS  13   8.726  13.013 -15.619
  111    HE3  LYS  13           HE3      LYS  13   7.798  11.875 -16.593
  112    HZ1  LYS  13           HZ1      LYS  13   6.855  14.197 -16.297
  113    HZ2  LYS  13           HZ2      LYS  13   6.481  13.737 -14.712
  114    HZ3  LYS  13           HZ3      LYS  13   5.801  12.903 -16.018
  115    H    ARG  14           H        ARG  14  10.677  12.557 -11.039
  116    HA   ARG  14           HA       ARG  14  13.189  13.832 -11.634
  117    HB2  ARG  14           HB2      ARG  14  10.939  14.971 -11.104
  118    HB3  ARG  14           HB3      ARG  14  11.312  14.626  -9.421
  119    HG2  ARG  14           HG2      ARG  14  13.420  15.894  -9.667
  120    HG3  ARG  14           HG3      ARG  14  12.943  16.304 -11.315
  121    HD2  ARG  14           HD2      ARG  14  10.755  17.144 -10.129
  122    HD3  ARG  14           HD3      ARG  14  11.809  17.229  -8.718
  123    HE   ARG  14           HE       ARG  14  12.814  19.066  -9.633
  124   HH11  ARG  14          HH11      ARG  14  11.308  18.613 -13.315
  125   HH12  ARG  14          HH12      ARG  14  11.056  17.383 -12.121
  126   HH21  ARG  14          HH21      ARG  14  12.504  20.496 -12.787
  127   HH22  ARG  14          HH22      ARG  14  13.154  20.693 -11.195
  128    H    MK8  15           H2       MK8  15  12.127  11.460  -9.262
  129    HB   MK8  15           HB       MK8  15  12.268   9.948  -7.202
  130    HBA  MK8  15           HBA      MK8  15  13.508   9.205  -8.204
  131    HD   MK8  15           HD       MK8  15  16.140   9.910  -6.358
  132    HDA  MK8  15           HDA      MK8  15  15.883   8.587  -5.257
  133    HE   MK8  15           HE       MK8  15  15.070   7.363  -7.628
  134    HG   MK8  15           HG       MK8  15  13.894   9.979  -5.271
  135    HGA  MK8  15           HGA      MK8  15  13.535   8.392  -5.862
  136    HB1  MK8  15           HB1      MK8  15  14.605  12.040  -5.958
  137   HB1A  MK8  15          HB1A      MK8  15  13.813  13.307  -6.890
  138   HB1B  MK8  15          HB1B      MK8  15  12.842  12.112  -6.076
  139    H    ALA  16           H        ALA  16  14.360  10.086 -10.020
  140    HA   ALA  16           HA       ALA  16  17.009   9.377  -9.795
  141    HB1  ALA  16           HB1      ALA  16  15.075   9.203 -11.759
  142    HB2  ALA  16           HB2      ALA  16  16.359  10.148 -12.515
  143    HB3  ALA  16           HB3      ALA  16  16.714   8.556 -11.845
  144    H    TYR  17           H        TYR  17  15.678  12.382 -11.137
  145    HA   TYR  17           HA       TYR  17  18.124  13.514 -11.932
  146    HB2  TYR  17           HB2      TYR  17  15.763  14.273 -12.540
  147    HB3  TYR  17           HB3      TYR  17  15.736  15.096 -10.984
  148    HD1  TYR  17           HD1      TYR  17  16.470  15.456 -14.393
  149    HD2  TYR  17           HD2      TYR  17  17.818  16.673 -10.545
  150    HE1  TYR  17           HE1      TYR  17  17.594  17.395 -15.407
  151    HE2  TYR  17           HE2      TYR  17  18.943  18.617 -11.548
  152    HH   TYR  17           HH       TYR  17  19.884  18.991 -14.276
  153    H    SER  18           H        SER  18  16.256  13.889  -8.932
  154    HA   SER  18           HA       SER  18  17.891  15.735  -7.651
  155    HB2  SER  18           HB2      SER  18  15.605  14.390  -6.984
  156    HB3  SER  18           HB3      SER  18  16.775  13.654  -5.889
  157    HG   SER  18           HG       SER  18  15.632  15.682  -5.219
  158    H    MK8  19           H2       MK8  19  18.289  12.199  -7.993
  159    HB   MK8  19           HB       MK8  19  20.199  10.297  -8.781
  160    HBA  MK8  19           HBA      MK8  19  20.855   9.715  -7.275
  161    HD   MK8  19           HD       MK8  19  19.110   7.972  -8.491
  162    HDA  MK8  19           HDA      MK8  19  19.001   7.640  -6.783
  163    HE   MK8  19           HE       MK8  19  17.106   6.856  -8.573
  164    HG   MK8  19           HG       MK8  19  18.416   9.895  -6.297
  165    HGA  MK8  19           HGA      MK8  19  17.946  10.222  -7.955
  166    HB1  MK8  19           HB1      MK8  19  20.316  12.573  -5.083
  167   HB1A  MK8  19          HB1A      MK8  19  19.894  10.891  -5.165
  168   HB1B  MK8  19          HB1B      MK8  19  21.556  11.371  -5.452
  169    H    LEU  20           H        LEU  20  20.298  12.666  -9.532
  170    HA   LEU  20           HA       LEU  20  22.950  12.953 -10.223
  171    HB2  LEU  20           HB2      LEU  20  20.676  13.281 -11.546
  172    HB3  LEU  20           HB3      LEU  20  21.026  14.980 -11.236
  173    HG   LEU  20           HG       LEU  20  21.797  14.311 -13.445
  174   HD11  LEU  20          HD11      LEU  20  24.104  15.081 -13.271
  175   HD12  LEU  20          HD12      LEU  20  24.073  14.802 -11.529
  176   HD13  LEU  20          HD13      LEU  20  23.034  16.036 -12.243
  177   HD21  LEU  20          HD21      LEU  20  24.048  12.704 -12.750
  178   HD22  LEU  20          HD22      LEU  20  22.702  12.322 -13.826
  179   HD23  LEU  20          HD23      LEU  20  22.588  11.952 -12.104
  180    H    GLY  21           H        GLY  21  20.787  15.503  -8.976
  181    HA2  GLY  21           HA2      GLY  21  22.879  17.438  -8.782
  182    HA3  GLY  21           HA3      GLY  21  21.269  17.575  -8.089
  183    H    LEU  22           H        LEU  22  22.281  14.724  -6.959
  184    HA   LEU  22           HA       LEU  22  23.705  15.886  -4.660
  185    HB2  LEU  22           HB2      LEU  22  21.108  14.967  -4.607
  186    HB3  LEU  22           HB3      LEU  22  22.033  13.588  -4.016
  187    HG   LEU  22           HG       LEU  22  21.209  14.949  -2.176
  188   HD11  LEU  22          HD11      LEU  22  23.189  15.031  -0.936
  189   HD12  LEU  22          HD12      LEU  22  24.168  15.409  -2.353
  190   HD13  LEU  22          HD13      LEU  22  23.486  13.794  -2.158
  191   HD21  LEU  22          HD21      LEU  22  21.209  17.171  -2.200
  192   HD22  LEU  22          HD22      LEU  22  21.813  17.095  -3.856
  193   HD23  LEU  22          HD23      LEU  22  22.945  17.225  -2.508
  194    H    LYS  23           H        LYS  23  24.770  14.518  -6.971
  195    HA   LYS  23           HA       LYS  23  26.005  12.232  -5.594
  196    HB2  LYS  23           HB2      LYS  23  24.344  11.440  -7.268
  197    HB3  LYS  23           HB3      LYS  23  25.245  12.283  -8.520
  198    HG2  LYS  23           HG2      LYS  23  26.688  10.611  -8.727
  199    HG3  LYS  23           HG3      LYS  23  26.959  10.538  -6.984
  200    HD2  LYS  23           HD2      LYS  23  25.329   8.952  -6.659
  201    HD3  LYS  23           HD3      LYS  23  24.413   9.448  -8.084
  202    HE2  LYS  23           HE2      LYS  23  26.918   8.555  -9.007
  203    HE3  LYS  23           HE3      LYS  23  26.372   7.374  -7.819
  204    HZ1  LYS  23           HZ1      LYS  23  24.509   6.863  -9.050
  205    HZ2  LYS  23           HZ2      LYS  23  25.660   7.116 -10.264
  206    HZ3  LYS  23           HZ3      LYS  23  24.527   8.321  -9.909
  207    H    ASP  24           H        ASP  24  26.255  14.658  -8.150
  208    HA   ASP  24           HA       ASP  24  29.140  14.256  -8.321
  209    HB2  ASP  24           HB2      ASP  24  27.275  14.882 -10.224
  210    HB3  ASP  24           HB3      ASP  24  27.958  16.466  -9.858
  211    H    GLN  25           H        GLN  25  26.797  16.496  -7.049
  212    HA   GLN  25           HA       GLN  25  28.750  18.559  -6.521
  213    HB2  GLN  25           HB2      GLN  25  26.502  19.256  -7.043
  214    HB3  GLN  25           HB3      GLN  25  25.846  18.267  -5.746
  215    HG2  GLN  25           HG2      GLN  25  26.127  19.888  -4.264
  216    HG3  GLN  25           HG3      GLN  25  27.812  20.110  -4.734
  217   HE21  GLN  25          HE21      GLN  25  28.106  21.311  -6.835
  218   HE22  GLN  25          HE22      GLN  25  27.093  22.687  -7.090
  219    H    VAL  26           H        VAL  26  27.095  16.016  -4.751
  220    HA   VAL  26           HA       VAL  26  27.752  16.771  -2.142
  221    HB   VAL  26           HB       VAL  26  26.153  14.970  -2.682
  222   HG11  VAL  26          HG11      VAL  26  26.905  12.769  -3.310
  223   HG12  VAL  26          HG12      VAL  26  27.499  13.938  -4.492
  224   HG13  VAL  26          HG13      VAL  26  28.589  13.290  -3.266
  225   HG21  VAL  26          HG21      VAL  26  27.491  15.214  -0.466
  226   HG22  VAL  26          HG22      VAL  26  26.535  13.759  -0.748
  227   HG23  VAL  26          HG23      VAL  26  28.282  13.727  -0.989
  228    HN1  NH2  27           HN1      NH2  27  29.531  16.584  -0.880
  229    HN2  NH2  27           HN2      NH2  27  31.042  15.910  -1.397
  Start of MODEL   10
    1    H1   ACE   1           H1       ACE   1  -5.592  13.721   3.305
    2    H2   ACE   1           H2       ACE   1  -5.902  14.050   5.025
    3    H3   ACE   1           H3       ACE   1  -7.021  13.021   4.101
    4    H    LYS   2           H        LYS   2  -6.929  15.808   5.531
    5    HA   LYS   2           HA       LYS   2  -9.062  16.943   4.079
    6    HB2  LYS   2           HB2      LYS   2  -7.269  18.024   6.249
    7    HB3  LYS   2           HB3      LYS   2  -8.577  18.974   5.553
    8    HG2  LYS   2           HG2      LYS   2  -9.935  16.751   6.162
    9    HG3  LYS   2           HG3      LYS   2  -8.674  16.672   7.394
   10    HD2  LYS   2           HD2      LYS   2  -9.731  19.349   7.160
   11    HD3  LYS   2           HD3      LYS   2 -11.019  18.185   7.474
   12    HE2  LYS   2           HE2      LYS   2 -10.059  19.103   9.545
   13    HE3  LYS   2           HE3      LYS   2  -9.842  17.357   9.421
   14    HZ1  LYS   2           HZ1      LYS   2  -7.587  17.599   8.948
   15    HZ2  LYS   2           HZ2      LYS   2  -7.862  18.734  10.173
   16    HZ3  LYS   2           HZ3      LYS   2  -7.731  19.240   8.565
   17    H    ARG   3           H        ARG   3  -5.753  18.207   4.541
   18    HA   ARG   3           HA       ARG   3  -6.065  20.115   2.423
   19    HB2  ARG   3           HB2      ARG   3  -3.596  19.240   3.935
   20    HB3  ARG   3           HB3      ARG   3  -3.682  20.615   2.841
   21    HG2  ARG   3           HG2      ARG   3  -5.343  20.333   5.334
   22    HG3  ARG   3           HG3      ARG   3  -3.813  21.209   5.247
   23    HD2  ARG   3           HD2      ARG   3  -5.025  22.405   3.226
   24    HD3  ARG   3           HD3      ARG   3  -6.470  21.893   4.097
   25    HE   ARG   3           HE       ARG   3  -4.704  24.006   4.816
   26   HH11  ARG   3          HH11      ARG   3  -7.083  22.397   7.604
   27   HH12  ARG   3          HH12      ARG   3  -6.779  21.539   6.129
   28   HH21  ARG   3          HH21      ARG   3  -6.126  24.447   7.957
   29   HH22  ARG   3          HH22      ARG   3  -5.096  25.144   6.753
   30    H    ILE   4           H        ILE   4  -4.619  20.220   0.548
   31    HA   ILE   4           HA       ILE   4  -4.110  17.529  -0.537
   32    HB   ILE   4           HB       ILE   4  -4.613  20.080  -2.076
   33   HG12  ILE   4          HG12      ILE   4  -6.617  18.085  -2.483
   34   HG13  ILE   4          HG13      ILE   4  -6.438  18.342  -0.752
   35   HG21  ILE   4          HG21      ILE   4  -4.268  17.217  -2.942
   36   HG22  ILE   4          HG22      ILE   4  -4.898  18.490  -3.986
   37   HG23  ILE   4          HG23      ILE   4  -3.253  18.598  -3.359
   38   HD11  ILE   4          HD11      ILE   4  -7.496  20.286  -0.850
   39   HD12  ILE   4          HD12      ILE   4  -6.509  20.839  -2.203
   40   HD13  ILE   4          HD13      ILE   4  -7.941  19.855  -2.501
   41    H    GLY   5           H        GLY   5  -2.847  20.843  -0.415
   42    HA2  GLY   5           HA2      GLY   5  -0.619  21.495  -0.243
   43    HA3  GLY   5           HA3      GLY   5  -0.139  19.817  -0.456
   44    H    VAL   6           H        VAL   6   1.516  20.987  -1.808
   45    HA   VAL   6           HA       VAL   6   0.493  21.249  -4.561
   46    HB   VAL   6           HB       VAL   6   2.321  22.880  -4.991
   47   HG11  VAL   6          HG11      VAL   6   0.967  24.323  -2.890
   48   HG12  VAL   6          HG12      VAL   6   0.820  24.485  -4.640
   49   HG13  VAL   6          HG13      VAL   6  -0.152  23.291  -3.779
   50   HG21  VAL   6          HG21      VAL   6   3.649  23.784  -3.308
   51   HG22  VAL   6          HG22      VAL   6   2.595  23.196  -2.024
   52   HG23  VAL   6          HG23      VAL   6   3.615  22.066  -2.914
   53    H    ARG   7           H        ARG   7   1.437  18.852  -3.383
   54    HA   ARG   7           HA       ARG   7   3.236  17.965  -5.334
   55    HB2  ARG   7           HB2      ARG   7   4.602  19.417  -3.476
   56    HB3  ARG   7           HB3      ARG   7   4.720  17.801  -2.793
   57    HG2  ARG   7           HG2      ARG   7   5.295  17.928  -5.657
   58    HG3  ARG   7           HG3      ARG   7   6.409  18.853  -4.647
   59    HD2  ARG   7           HD2      ARG   7   7.143  16.979  -3.511
   60    HD3  ARG   7           HD3      ARG   7   5.681  16.062  -3.874
   61    HE   ARG   7           HE       ARG   7   6.639  15.374  -5.839
   62   HH11  ARG   7          HH11      ARG   7   9.756  17.880  -5.683
   63   HH12  ARG   7          HH12      ARG   7   8.465  18.038  -4.540
   64   HH21  ARG   7          HH21      ARG   7   9.681  16.241  -7.281
   65   HH22  ARG   7          HH22      ARG   7   8.335  15.155  -7.350
   66    H    LEU   8           H        LEU   8   2.176  16.088  -5.546
   67    HA   LEU   8           HA       LEU   8   1.155  14.615  -3.315
   68    HB2  LEU   8           HB2      LEU   8   1.293  14.179  -6.266
   69    HB3  LEU   8           HB3      LEU   8   0.869  12.837  -5.205
   70    HG   LEU   8           HG       LEU   8  -0.633  15.451  -5.272
   71   HD11  LEU   8          HD11      LEU   8  -0.698  14.252  -7.455
   72   HD12  LEU   8          HD12      LEU   8  -2.267  14.395  -6.662
   73   HD13  LEU   8          HD13      LEU   8  -1.393  12.864  -6.616
   74   HD21  LEU   8          HD21      LEU   8  -0.733  13.964  -3.227
   75   HD22  LEU   8          HD22      LEU   8  -1.525  12.765  -4.250
   76   HD23  LEU   8          HD23      LEU   8  -2.277  14.341  -3.993
   77    HA   PRO   9           HA       PRO   9   4.521  11.969  -2.350
   78    HB2  PRO   9           HB2      PRO   9   3.267   9.613  -1.847
   79    HB3  PRO   9           HB3      PRO   9   3.174  11.003  -0.759
   80    HG2  PRO   9           HG2      PRO   9   1.203  10.065  -2.808
   81    HG3  PRO   9           HG3      PRO   9   0.910  10.648  -1.159
   82    HD2  PRO   9           HD2      PRO   9   0.551  12.211  -3.340
   83    HD3  PRO   9           HD3      PRO   9   1.079  12.862  -1.775
   84    H    GLY  10           H        GLY  10   5.038   9.379  -2.771
   85    HA2  GLY  10           HA2      GLY  10   5.896   7.931  -4.331
   86    HA3  GLY  10           HA3      GLY  10   4.421   8.241  -5.232
   87    H    HIS  11           H        HIS  11   7.171  10.343  -4.412
   88    HA   HIS  11           HA       HIS  11   7.219  11.670  -6.868
   89    HB2  HIS  11           HB2      HIS  11   9.638  11.239  -5.115
   90    HB3  HIS  11           HB3      HIS  11   9.306  12.601  -6.181
   91    HD1  HIS  11           HD1      HIS  11   6.234  12.706  -4.984
   92    HD2  HIS  11           HD2      HIS  11   9.838  13.052  -2.947
   93    HE1  HIS  11           HE1      HIS  11   5.694  13.956  -2.870
   94    H    GLN  12           H        GLN  12   7.851  11.067  -8.827
   95    HA   GLN  12           HA       GLN  12   9.875   8.957  -9.086
   96    HB2  GLN  12           HB2      GLN  12   7.090   8.920 -10.037
   97    HB3  GLN  12           HB3      GLN  12   8.284   8.471 -11.249
   98    HG2  GLN  12           HG2      GLN  12   7.866   7.183  -8.563
   99    HG3  GLN  12           HG3      GLN  12   7.478   6.501 -10.141
  100   HE21  GLN  12          HE21      GLN  12   9.739   6.641  -7.707
  101   HE22  GLN  12          HE22      GLN  12  11.095   5.990  -8.558
  102    H    LYS  13           H        LYS  13  10.824   8.868 -11.292
  103    HA   LYS  13           HA       LYS  13  11.794   9.823 -13.122
  104    HB2  LYS  13           HB2      LYS  13   9.924  12.167 -12.888
  105    HB3  LYS  13           HB3      LYS  13  10.682  11.509 -14.333
  106    HG2  LYS  13           HG2      LYS  13   9.225   9.382 -13.532
  107    HG3  LYS  13           HG3      LYS  13   8.212  10.710 -12.961
  108    HD2  LYS  13           HD2      LYS  13   8.659  11.667 -15.364
  109    HD3  LYS  13           HD3      LYS  13   8.996   9.975 -15.744
  110    HE2  LYS  13           HE2      LYS  13   6.832   9.434 -15.693
  111    HE3  LYS  13           HE3      LYS  13   6.573  10.295 -14.177
  112    HZ1  LYS  13           HZ1      LYS  13   6.689  12.372 -15.687
  113    HZ2  LYS  13           HZ2      LYS  13   5.262  11.464 -15.637
  114    HZ3  LYS  13           HZ3      LYS  13   6.331  11.289 -16.935
  115    H    ARG  14           H        ARG  14  10.769  12.674 -11.241
  116    HA   ARG  14           HA       ARG  14  13.242  14.000 -11.518
  117    HB2  ARG  14           HB2      ARG  14  10.886  14.918 -10.881
  118    HB3  ARG  14           HB3      ARG  14  11.374  14.539  -9.234
  119    HG2  ARG  14           HG2      ARG  14  13.348  15.983  -9.511
  120    HG3  ARG  14           HG3      ARG  14  12.788  16.399 -11.133
  121    HD2  ARG  14           HD2      ARG  14  11.077  17.698 -10.359
  122    HD3  ARG  14           HD3      ARG  14  10.891  16.759  -8.878
  123    HE   ARG  14           HE       ARG  14  12.398  18.145  -7.849
  124   HH11  ARG  14          HH11      ARG  14  13.607  20.000 -11.185
  125   HH12  ARG  14          HH12      ARG  14  12.567  18.617 -11.294
  126   HH21  ARG  14          HH21      ARG  14  14.291  20.762  -9.135
  127   HH22  ARG  14          HH22      ARG  14  13.768  19.962  -7.692
  128    H    MK8  15           H2       MK8  15  12.102  11.573  -9.218
  129    HB   MK8  15           HB       MK8  15  12.128   9.939  -7.286
  130    HBA  MK8  15           HBA      MK8  15  13.215   9.201  -8.422
  131    HD   MK8  15           HD       MK8  15  15.975   9.728  -6.369
  132    HDA  MK8  15           HDA      MK8  15  15.660   8.297  -5.443
  133    HE   MK8  15           HE       MK8  15  15.027   7.325  -7.968
  134    HG   MK8  15           HG       MK8  15  13.653   9.609  -5.415
  135    HGA  MK8  15           HGA      MK8  15  13.365   8.112  -6.241
  136    HB1  MK8  15           HB1      MK8  15  14.452  11.741  -5.833
  137   HB1A  MK8  15          HB1A      MK8  15  13.989  13.158  -6.764
  138   HB1B  MK8  15          HB1B      MK8  15  12.742  12.106  -6.105
  139    H    ALA  16           H        ALA  16  14.304  10.102  -9.943
  140    HA   ALA  16           HA       ALA  16  16.950   9.372  -9.776
  141    HB1  ALA  16           HB1      ALA  16  16.420  10.045 -12.490
  142    HB2  ALA  16           HB2      ALA  16  16.448   8.454 -11.730
  143    HB3  ALA  16           HB3      ALA  16  14.949   9.383 -11.776
  144    H    TYR  17           H        TYR  17  15.615  12.380 -11.111
  145    HA   TYR  17           HA       TYR  17  18.061  13.484 -11.952
  146    HB2  TYR  17           HB2      TYR  17  15.722  14.255 -12.575
  147    HB3  TYR  17           HB3      TYR  17  15.668  15.066 -11.015
  148    HD1  TYR  17           HD1      TYR  17  16.453  15.450 -14.413
  149    HD2  TYR  17           HD2      TYR  17  17.727  16.659 -10.536
  150    HE1  TYR  17           HE1      TYR  17  17.578  17.403 -15.397
  151    HE2  TYR  17           HE2      TYR  17  18.853  18.616 -11.511
  152    HH   TYR  17           HH       TYR  17  18.284  19.941 -14.151
  153    H    SER  18           H        SER  18  16.218  13.913  -8.945
  154    HA   SER  18           HA       SER  18  17.879  15.765  -7.705
  155    HB2  SER  18           HB2      SER  18  15.571  14.685  -6.985
  156    HB3  SER  18           HB3      SER  18  16.619  13.615  -6.053
  157    HG   SER  18           HG       SER  18  16.908  15.174  -4.689
  158    H    MK8  19           H2       MK8  19  18.234  12.249  -8.043
  159    HB   MK8  19           HB       MK8  19  20.065  10.283  -8.812
  160    HBA  MK8  19           HBA      MK8  19  20.737   9.689  -7.323
  161    HD   MK8  19           HD       MK8  19  19.116   7.934  -8.457
  162    HDA  MK8  19           HDA      MK8  19  18.875   7.606  -6.766
  163    HE   MK8  19           HE       MK8  19  17.132   6.885  -8.789
  164    HG   MK8  19           HG       MK8  19  18.294   9.879  -6.323
  165    HGA  MK8  19           HGA      MK8  19  17.835  10.158  -7.991
  166    HB1  MK8  19           HB1      MK8  19  21.284  11.022  -5.497
  167   HB1A  MK8  19          HB1A      MK8  19  20.606  12.613  -5.238
  168   HB1B  MK8  19          HB1B      MK8  19  19.560  11.225  -5.159
  169    H    LEU  20           H        LEU  20  20.267  12.689  -9.547
  170    HA   LEU  20           HA       LEU  20  22.922  12.959 -10.231
  171    HB2  LEU  20           HB2      LEU  20  20.661  13.301 -11.563
  172    HB3  LEU  20           HB3      LEU  20  21.005  14.998 -11.237
  173    HG   LEU  20           HG       LEU  20  21.798  14.386 -13.440
  174   HD11  LEU  20          HD11      LEU  20  23.143  15.862 -11.723
  175   HD12  LEU  20          HD12      LEU  20  23.804  15.466 -13.308
  176   HD13  LEU  20          HD13      LEU  20  24.326  14.564 -11.886
  177   HD21  LEU  20          HD21      LEU  20  23.782  12.496 -12.241
  178   HD22  LEU  20          HD22      LEU  20  23.228  12.628 -13.910
  179   HD23  LEU  20          HD23      LEU  20  22.169  11.935 -12.680
  180    H    GLY  21           H        GLY  21  20.777  15.527  -8.991
  181    HA2  GLY  21           HA2      GLY  21  22.873  17.450  -8.790
  182    HA3  GLY  21           HA3      GLY  21  21.269  17.585  -8.084
  183    H    LEU  22           H        LEU  22  22.257  14.732  -6.965
  184    HA   LEU  22           HA       LEU  22  23.719  15.871  -4.678
  185    HB2  LEU  22           HB2      LEU  22  21.112  15.004  -4.595
  186    HB3  LEU  22           HB3      LEU  22  22.012  13.595  -4.035
  187    HG   LEU  22           HG       LEU  22  23.138  15.478  -2.491
  188   HD11  LEU  22          HD11      LEU  22  20.453  16.518  -3.289
  189   HD12  LEU  22          HD12      LEU  22  21.971  17.386  -3.058
  190   HD13  LEU  22          HD13      LEU  22  21.067  16.806  -1.660
  191   HD21  LEU  22          HD21      LEU  22  20.924  14.829  -1.008
  192   HD22  LEU  22          HD22      LEU  22  22.378  13.844  -1.169
  193   HD23  LEU  22          HD23      LEU  22  20.983  13.533  -2.204
  194    H    LYS  23           H        LYS  23  24.764  14.507  -6.989
  195    HA   LYS  23           HA       LYS  23  25.901  12.141  -5.655
  196    HB2  LYS  23           HB2      LYS  23  24.351  11.451  -7.443
  197    HB3  LYS  23           HB3      LYS  23  25.265  12.412  -8.599
  198    HG2  LYS  23           HG2      LYS  23  27.212  10.833  -7.533
  199    HG3  LYS  23           HG3      LYS  23  25.812   9.757  -7.508
  200    HD2  LYS  23           HD2      LYS  23  25.529  10.749  -9.970
  201    HD3  LYS  23           HD3      LYS  23  27.276  10.925  -9.805
  202    HE2  LYS  23           HE2      LYS  23  27.250   8.803 -10.598
  203    HE3  LYS  23           HE3      LYS  23  27.013   8.427  -8.892
  204    HZ1  LYS  23           HZ1      LYS  23  25.078   8.356 -11.096
  205    HZ2  LYS  23           HZ2      LYS  23  24.517   8.689  -9.535
  206    HZ3  LYS  23           HZ3      LYS  23  25.330   7.240  -9.850
  207    H    ASP  24           H        ASP  24  26.371  14.714  -8.029
  208    HA   ASP  24           HA       ASP  24  29.221  14.212  -8.184
  209    HB2  ASP  24           HB2      ASP  24  27.626  15.090 -10.067
  210    HB3  ASP  24           HB3      ASP  24  27.902  16.656  -9.311
  211    H    GLN  25           H        GLN  25  27.026  16.361  -6.541
  212    HA   GLN  25           HA       GLN  25  29.147  18.119  -5.639
  213    HB2  GLN  25           HB2      GLN  25  26.866  18.970  -6.177
  214    HB3  GLN  25           HB3      GLN  25  26.241  18.056  -4.811
  215    HG2  GLN  25           HG2      GLN  25  26.712  19.728  -3.451
  216    HG3  GLN  25           HG3      GLN  25  28.416  19.636  -3.901
  217   HE21  GLN  25          HE21      GLN  25  29.160  21.542  -4.460
  218   HE22  GLN  25          HE22      GLN  25  28.321  22.741  -5.378
  219    H    VAL  26           H        VAL  26  27.068  15.589  -4.327
  220    HA   VAL  26           HA       VAL  26  27.702  15.825  -1.626
  221    HB   VAL  26           HB       VAL  26  25.933  14.337  -2.558
  222   HG11  VAL  26          HG11      VAL  26  27.571  13.382  -4.302
  223   HG12  VAL  26          HG12      VAL  26  28.067  12.284  -3.013
  224   HG13  VAL  26          HG13      VAL  26  26.394  12.293  -3.571
  225   HG21  VAL  26          HG21      VAL  26  26.825  14.168  -0.221
  226   HG22  VAL  26          HG22      VAL  26  26.099  12.686  -0.845
  227   HG23  VAL  26          HG23      VAL  26  27.854  12.848  -0.778
  228    HN1  NH2  27           HN1      NH2  27  29.529  14.470  -4.288
  229    HN2  NH2  27           HN2      NH2  27  30.914  13.982  -3.369
  Start of MODEL   11
    1    H1   ACE   1           H1       ACE   1 -14.261  18.128 -19.864
    2    H2   ACE   1           H2       ACE   1 -14.575  18.722 -18.215
    3    H3   ACE   1           H3       ACE   1 -13.223  19.392 -19.159
    4    H    LYS   2           H        LYS   2 -12.682  16.681 -20.230
    5    HA   LYS   2           HA       LYS   2 -11.924  15.031 -18.025
    6    HB2  LYS   2           HB2      LYS   2 -11.819  14.902 -20.942
    7    HB3  LYS   2           HB3      LYS   2 -10.403  14.191 -20.179
    8    HG2  LYS   2           HG2      LYS   2 -12.459  13.156 -18.694
    9    HG3  LYS   2           HG3      LYS   2 -13.146  13.219 -20.319
   10    HD2  LYS   2           HD2      LYS   2 -10.410  12.088 -19.842
   11    HD3  LYS   2           HD3      LYS   2 -11.855  11.103 -19.603
   12    HE2  LYS   2           HE2      LYS   2 -12.525  11.816 -21.957
   13    HE3  LYS   2           HE3      LYS   2 -10.870  12.401 -22.129
   14    HZ1  LYS   2           HZ1      LYS   2 -11.846   9.764 -22.363
   15    HZ2  LYS   2           HZ2      LYS   2 -10.712   9.826 -21.110
   16    HZ3  LYS   2           HZ3      LYS   2 -10.286  10.347 -22.661
   17    H    ARG   3           H        ARG   3 -10.057  16.978 -20.356
   18    HA   ARG   3           HA       ARG   3  -7.666  16.692 -18.731
   19    HB2  ARG   3           HB2      ARG   3  -8.196  18.056 -21.373
   20    HB3  ARG   3           HB3      ARG   3  -6.637  18.103 -20.560
   21    HG2  ARG   3           HG2      ARG   3  -7.548  15.394 -20.742
   22    HG3  ARG   3           HG3      ARG   3  -7.598  16.157 -22.332
   23    HD2  ARG   3           HD2      ARG   3  -5.222  17.018 -21.668
   24    HD3  ARG   3           HD3      ARG   3  -5.269  15.677 -20.525
   25    HE   ARG   3           HE       ARG   3  -5.989  14.593 -22.940
   26   HH11  ARG   3          HH11      ARG   3  -2.112  15.576 -22.768
   27   HH12  ARG   3          HH12      ARG   3  -3.243  16.338 -21.698
   28   HH21  ARG   3          HH21      ARG   3  -2.833  14.011 -24.275
   29   HH22  ARG   3          HH22      ARG   3  -4.509  13.584 -24.352
   30    H    ILE   4           H        ILE   4  -8.266  17.832 -16.857
   31    HA   ILE   4           HA       ILE   4  -8.970  20.642 -17.087
   32    HB   ILE   4           HB       ILE   4  -8.527  18.935 -14.634
   33   HG12  ILE   4          HG12      ILE   4 -10.477  18.276 -16.014
   34   HG13  ILE   4          HG13      ILE   4 -10.953  18.915 -14.445
   35   HG21  ILE   4          HG21      ILE   4  -9.007  21.808 -15.010
   36   HG22  ILE   4          HG22      ILE   4 -10.042  21.025 -13.817
   37   HG23  ILE   4          HG23      ILE   4  -8.288  20.944 -13.652
   38   HD11  ILE   4          HD11      ILE   4 -12.240  20.413 -15.429
   39   HD12  ILE   4          HD12      ILE   4 -10.859  21.055 -16.317
   40   HD13  ILE   4          HD13      ILE   4 -11.807  19.731 -16.997
   41    H    GLY   5           H        GLY   5  -6.184  18.674 -16.441
   42    HA2  GLY   5           HA2      GLY   5  -4.588  21.133 -16.162
   43    HA3  GLY   5           HA3      GLY   5  -4.351  19.802 -15.039
   44    H    VAL   6           H        VAL   6  -2.969  21.220 -17.562
   45    HA   VAL   6           HA       VAL   6  -2.392  19.099 -19.343
   46    HB   VAL   6           HB       VAL   6  -0.517  20.512 -20.120
   47   HG11  VAL   6          HG11      VAL   6  -2.373  21.100 -21.295
   48   HG12  VAL   6          HG12      VAL   6  -3.296  21.513 -19.848
   49   HG13  VAL   6          HG13      VAL   6  -2.080  22.630 -20.471
   50   HG21  VAL   6          HG21      VAL   6  -1.343  22.293 -17.830
   51   HG22  VAL   6          HG22      VAL   6   0.200  21.459 -18.015
   52   HG23  VAL   6          HG23      VAL   6  -0.238  22.760 -19.123
   53    H    ARG   7           H        ARG   7  -0.522  17.835 -19.557
   54    HA   ARG   7           HA       ARG   7   1.152  16.478 -18.827
   55    HB2  ARG   7           HB2      ARG   7   1.949  19.057 -18.246
   56    HB3  ARG   7           HB3      ARG   7   2.155  18.227 -16.711
   57    HG2  ARG   7           HG2      ARG   7   3.846  16.927 -17.481
   58    HG3  ARG   7           HG3      ARG   7   3.206  16.875 -19.124
   59    HD2  ARG   7           HD2      ARG   7   4.932  18.266 -19.546
   60    HD3  ARG   7           HD3      ARG   7   3.813  19.487 -18.945
   61    HE   ARG   7           HE       ARG   7   5.275  18.395 -16.797
   62   HH11  ARG   7          HH11      ARG   7   6.943  21.404 -18.845
   63   HH12  ARG   7          HH12      ARG   7   5.658  20.486 -19.554
   64   HH21  ARG   7          HH21      ARG   7   7.689  20.896 -16.738
   65   HH22  ARG   7          HH22      ARG   7   6.968  19.595 -15.852
   66    H    LEU   8           H        LEU   8   2.175  15.561 -16.681
   67    HA   LEU   8           HA       LEU   8  -0.040  15.143 -14.785
   68    HB2  LEU   8           HB2      LEU   8   1.966  13.271 -15.959
   69    HB3  LEU   8           HB3      LEU   8   1.307  12.942 -14.358
   70    HG   LEU   8           HG       LEU   8   0.143  11.693 -16.116
   71   HD11  LEU   8          HD11      LEU   8  -2.131  12.303 -15.485
   72   HD12  LEU   8          HD12      LEU   8  -1.550  13.837 -14.840
   73   HD13  LEU   8          HD13      LEU   8  -1.057  12.321 -14.086
   74   HD21  LEU   8          HD21      LEU   8   0.503  13.512 -17.853
   75   HD22  LEU   8          HD22      LEU   8  -0.888  14.326 -17.136
   76   HD23  LEU   8          HD23      LEU   8  -1.074  12.722 -17.847
   77    HA   PRO   9           HA       PRO   9   2.490  16.451 -11.448
   78    HB2  PRO   9           HB2      PRO   9   1.763  14.738  -9.470
   79    HB3  PRO   9           HB3      PRO   9   0.708  16.029 -10.060
   80    HG2  PRO   9           HG2      PRO   9   0.699  13.113 -10.743
   81    HG3  PRO   9           HG3      PRO   9  -0.671  14.188 -10.405
   82    HD2  PRO   9           HD2      PRO   9   0.057  13.500 -12.921
   83    HD3  PRO   9           HD3      PRO   9  -0.658  15.077 -12.531
   84    H    GLY  10           H        GLY  10   3.821  15.331  -9.501
   85    HA2  GLY  10           HA2      GLY  10   5.909  13.849 -10.847
   86    HA3  GLY  10           HA3      GLY  10   5.950  14.448  -9.196
   87    H    HIS  11           H        HIS  11   6.842  11.886 -10.025
   88    HA   HIS  11           HA       HIS  11   5.170  10.254  -8.289
   89    HB2  HIS  11           HB2      HIS  11   5.693   9.660 -11.189
   90    HB3  HIS  11           HB3      HIS  11   5.433   8.350 -10.041
   91    HD1  HIS  11           HD1      HIS  11   3.666  11.331 -11.534
   92    HD2  HIS  11           HD2      HIS  11   2.807   7.904  -9.348
   93    HE1  HIS  11           HE1      HIS  11   1.157  11.170 -11.493
   94    H    GLN  12           H        GLN  12   7.771   9.499 -10.597
   95    HA   GLN  12           HA       GLN  12   9.741   9.277  -8.515
   96    HB2  GLN  12           HB2      GLN  12   8.350   7.134  -8.419
   97    HB3  GLN  12           HB3      GLN  12   9.055   6.737  -9.981
   98    HG2  GLN  12           HG2      GLN  12  10.662   5.743  -8.812
   99    HG3  GLN  12           HG3      GLN  12  11.256   7.372  -8.493
  100   HE21  GLN  12          HE21      GLN  12   9.013   4.934  -7.250
  101   HE22  GLN  12          HE22      GLN  12   9.245   5.317  -5.582
  102    H    LYS  13           H        LYS  13   9.272  10.582 -11.143
  103    HA   LYS  13           HA       LYS  13  11.319   9.383 -12.837
  104    HB2  LYS  13           HB2      LYS  13   9.017  11.044 -13.265
  105    HB3  LYS  13           HB3      LYS  13  10.439  11.839 -13.927
  106    HG2  LYS  13           HG2      LYS  13  10.529   9.104 -14.680
  107    HG3  LYS  13           HG3      LYS  13   8.917   9.728 -15.038
  108    HD2  LYS  13           HD2      LYS  13  10.029  10.280 -16.970
  109    HD3  LYS  13           HD3      LYS  13  10.263  11.754 -16.025
  110    HE2  LYS  13           HE2      LYS  13  12.405  11.378 -16.738
  111    HE3  LYS  13           HE3      LYS  13  12.424  10.497 -15.212
  112    HZ1  LYS  13           HZ1      LYS  13  12.620   9.503 -17.916
  113    HZ2  LYS  13           HZ2      LYS  13  11.563   8.622 -16.932
  114    HZ3  LYS  13           HZ3      LYS  13  13.179   8.825 -16.471
  115    H    ARG  14           H        ARG  14  10.638  12.620 -11.496
  116    HA   ARG  14           HA       ARG  14  13.255  13.598 -12.035
  117    HB2  ARG  14           HB2      ARG  14  10.821  14.709 -11.275
  118    HB3  ARG  14           HB3      ARG  14  11.866  14.988  -9.890
  119    HG2  ARG  14           HG2      ARG  14  13.502  16.077 -11.340
  120    HG3  ARG  14           HG3      ARG  14  12.452  15.797 -12.730
  121    HD2  ARG  14           HD2      ARG  14  12.032  18.015 -12.084
  122    HD3  ARG  14           HD3      ARG  14  10.675  17.087 -11.446
  123    HE   ARG  14           HE       ARG  14  12.807  17.392  -9.558
  124   HH11  ARG  14          HH11      ARG  14   9.692  19.903  -9.535
  125   HH12  ARG  14          HH12      ARG  14   9.988  18.909 -10.922
  126   HH21  ARG  14          HH21      ARG  14  11.080  19.783  -7.718
  127   HH22  ARG  14          HH22      ARG  14  12.428  18.696  -7.725
  128    H    MK8  15           H2       MK8  15  12.037  11.509  -9.553
  129    HB   MK8  15           HB       MK8  15  12.011  10.068  -7.311
  130    HBA  MK8  15           HBA      MK8  15  12.919   9.342  -8.609
  131    HD   MK8  15           HD       MK8  15  14.444   7.376  -7.741
  132    HDA  MK8  15           HDA      MK8  15  15.552   8.698  -7.997
  133    HE   MK8  15           HE       MK8  15  15.350   7.162  -5.348
  134    HG   MK8  15           HG       MK8  15  14.346   9.840  -5.948
  135    HGA  MK8  15           HGA      MK8  15  13.188   8.546  -6.062
  136    HB1  MK8  15           HB1      MK8  15  12.387  12.315  -6.491
  137   HB1A  MK8  15          HB1A      MK8  15  14.057  12.006  -6.010
  138   HB1B  MK8  15          HB1B      MK8  15  13.682  13.338  -7.095
  139    H    ALA  16           H        ALA  16  14.345  10.209 -10.075
  140    HA   ALA  16           HA       ALA  16  16.971   9.535  -9.660
  141    HB1  ALA  16           HB1      ALA  16  16.379  10.369 -12.416
  142    HB2  ALA  16           HB2      ALA  16  16.953   8.822 -11.794
  143    HB3  ALA  16           HB3      ALA  16  15.238   9.223 -11.714
  144    H    TYR  17           H        TYR  17  15.734  12.539 -11.094
  145    HA   TYR  17           HA       TYR  17  18.185  13.706 -11.737
  146    HB2  TYR  17           HB2      TYR  17  15.572  14.442 -12.005
  147    HB3  TYR  17           HB3      TYR  17  16.115  15.565 -10.764
  148    HD1  TYR  17           HD1      TYR  17  17.167  17.533 -11.394
  149    HD2  TYR  17           HD2      TYR  17  17.085  14.273 -14.127
  150    HE1  TYR  17           HE1      TYR  17  18.176  18.964 -13.124
  151    HE2  TYR  17           HE2      TYR  17  18.095  15.694 -15.863
  152    HH   TYR  17           HH       TYR  17  18.938  19.083 -15.201
  153    H    SER  18           H        SER  18  16.275  13.915  -8.753
  154    HA   SER  18           HA       SER  18  17.849  15.731  -7.361
  155    HB2  SER  18           HB2      SER  18  15.587  14.338  -6.786
  156    HB3  SER  18           HB3      SER  18  16.749  13.515  -5.748
  157    HG   SER  18           HG       SER  18  16.649  15.165  -4.473
  158    H    MK8  19           H2       MK8  19  18.289  12.239  -7.852
  159    HB   MK8  19           HB       MK8  19  19.678  10.228  -8.504
  160    HBA  MK8  19           HBA      MK8  19  20.780   9.694  -7.281
  161    HD   MK8  19           HD       MK8  19  17.749   8.397  -8.101
  162    HDA  MK8  19           HDA      MK8  19  19.041   7.628  -7.215
  163    HE   MK8  19           HE       MK8  19  17.688   7.253  -5.249
  164    HG   MK8  19           HG       MK8  19  19.025   9.539  -5.586
  165    HGA  MK8  19           HGA      MK8  19  17.857  10.364  -6.596
  166    HB1  MK8  19           HB1      MK8  19  20.945  12.670  -5.179
  167   HB1A  MK8  19          HB1A      MK8  19  19.677  11.521  -4.901
  168   HB1B  MK8  19          HB1B      MK8  19  21.312  10.968  -5.318
  169    H    LEU  20           H        LEU  20  20.234  12.693  -9.375
  170    HA   LEU  20           HA       LEU  20  22.847  12.959 -10.191
  171    HB2  LEU  20           HB2      LEU  20  20.534  13.307 -11.414
  172    HB3  LEU  20           HB3      LEU  20  20.878  15.003 -11.085
  173    HG   LEU  20           HG       LEU  20  21.627  14.596 -13.281
  174   HD11  LEU  20          HD11      LEU  20  23.986  15.035 -13.162
  175   HD12  LEU  20          HD12      LEU  20  24.069  14.367 -11.531
  176   HD13  LEU  20          HD13      LEU  20  23.183  15.864 -11.828
  177   HD21  LEU  20          HD21      LEU  20  21.811  11.991 -12.589
  178   HD22  LEU  20          HD22      LEU  20  23.517  12.432 -12.647
  179   HD23  LEU  20          HD23      LEU  20  22.495  12.673 -14.064
  180    H    GLY  21           H        GLY  21  20.781  15.551  -8.868
  181    HA2  GLY  21           HA2      GLY  21  22.876  17.468  -8.766
  182    HA3  GLY  21           HA3      GLY  21  21.325  17.587  -7.947
  183    H    LEU  22           H        LEU  22  22.344  14.743  -6.892
  184    HA   LEU  22           HA       LEU  22  23.993  15.861  -4.726
  185    HB2  LEU  22           HB2      LEU  22  21.394  15.022  -4.450
  186    HB3  LEU  22           HB3      LEU  22  22.313  13.596  -3.974
  187    HG   LEU  22           HG       LEU  22  23.442  15.834  -2.644
  188   HD11  LEU  22          HD11      LEU  22  21.527  16.607  -1.340
  189   HD12  LEU  22          HD12      LEU  22  20.447  15.652  -2.354
  190   HD13  LEU  22          HD13      LEU  22  21.342  17.001  -3.049
  191   HD21  LEU  22          HD21      LEU  22  21.648  13.788  -1.389
  192   HD22  LEU  22          HD22      LEU  22  23.108  14.537  -0.741
  193   HD23  LEU  22          HD23      LEU  22  23.228  13.343  -2.034
  194    H    LYS  23           H        LYS  23  24.873  14.509  -7.100
  195    HA   LYS  23           HA       LYS  23  26.200  12.220  -5.831
  196    HB2  LYS  23           HB2      LYS  23  24.576  12.223  -8.325
  197    HB3  LYS  23           HB3      LYS  23  26.047  11.260  -8.321
  198    HG2  LYS  23           HG2      LYS  23  25.227  10.120  -6.272
  199    HG3  LYS  23           HG3      LYS  23  23.711  11.009  -6.439
  200    HD2  LYS  23           HD2      LYS  23  23.148   9.084  -7.535
  201    HD3  LYS  23           HD3      LYS  23  23.812  10.008  -8.886
  202    HE2  LYS  23           HE2      LYS  23  24.725   7.794  -8.961
  203    HE3  LYS  23           HE3      LYS  23  26.004   8.907  -8.479
  204    HZ1  LYS  23           HZ1      LYS  23  25.971   8.140  -6.312
  205    HZ2  LYS  23           HZ2      LYS  23  25.737   6.720  -7.199
  206    HZ3  LYS  23           HZ3      LYS  23  24.422   7.471  -6.447
  207    H    ASP  24           H        ASP  24  26.151  14.496  -8.545
  208    HA   ASP  24           HA       ASP  24  28.907  14.024  -9.212
  209    HB2  ASP  24           HB2      ASP  24  26.774  15.064 -10.578
  210    HB3  ASP  24           HB3      ASP  24  27.686  16.518 -10.181
  211    H    GLN  25           H        GLN  25  27.091  16.437  -7.404
  212    HA   GLN  25           HA       GLN  25  29.389  18.120  -6.976
  213    HB2  GLN  25           HB2      GLN  25  26.522  18.162  -6.201
  214    HB3  GLN  25           HB3      GLN  25  27.641  19.035  -5.162
  215    HG2  GLN  25           HG2      GLN  25  28.051  19.572  -7.994
  216    HG3  GLN  25           HG3      GLN  25  26.442  20.011  -7.422
  217   HE21  GLN  25          HE21      GLN  25  26.250  21.975  -6.639
  218   HE22  GLN  25          HE22      GLN  25  27.518  22.933  -5.963
  219    H    VAL  26           H        VAL  26  27.449  15.900  -4.995
  220    HA   VAL  26           HA       VAL  26  28.894  16.232  -2.604
  221    HB   VAL  26           HB       VAL  26  27.412  13.761  -3.511
  222   HG11  VAL  26          HG11      VAL  26  28.519  14.678  -0.896
  223   HG12  VAL  26          HG12      VAL  26  27.061  13.684  -0.923
  224   HG13  VAL  26          HG13      VAL  26  28.557  13.078  -1.633
  225   HG21  VAL  26          HG21      VAL  26  26.494  16.384  -2.468
  226   HG22  VAL  26          HG22      VAL  26  25.724  15.293  -3.621
  227   HG23  VAL  26          HG23      VAL  26  25.667  14.936  -1.895
  228    HN1  NH2  27           HN1      NH2  27  29.479  14.300  -5.465
  229    HN2  NH2  27           HN2      NH2  27  30.951  13.562  -4.926
  Start of MODEL   12
    1    H1   ACE   1           H1       ACE   1 -14.539  19.083   2.826
    2    H2   ACE   1           H2       ACE   1 -15.483  17.893   3.753
    3    H3   ACE   1           H3       ACE   1 -14.395  19.021   4.599
    4    H    LYS   2           H        LYS   2 -14.755  15.982   3.304
    5    HA   LYS   2           HA       LYS   2 -12.204  15.106   4.099
    6    HB2  LYS   2           HB2      LYS   2 -14.559  13.934   2.779
    7    HB3  LYS   2           HB3      LYS   2 -13.035  13.158   2.370
    8    HG2  LYS   2           HG2      LYS   2 -13.407  13.668   5.230
    9    HG3  LYS   2           HG3      LYS   2 -14.567  12.541   4.522
   10    HD2  LYS   2           HD2      LYS   2 -12.800  11.133   3.718
   11    HD3  LYS   2           HD3      LYS   2 -11.578  12.314   4.193
   12    HE2  LYS   2           HE2      LYS   2 -11.495  10.750   5.908
   13    HE3  LYS   2           HE3      LYS   2 -12.534  12.014   6.569
   14    HZ1  LYS   2           HZ1      LYS   2 -13.552   9.942   7.026
   15    HZ2  LYS   2           HZ2      LYS   2 -13.368   9.406   5.432
   16    HZ3  LYS   2           HZ3      LYS   2 -14.456  10.654   5.783
   17    H    ARG   3           H        ARG   3 -10.428  15.920   3.154
   18    HA   ARG   3           HA       ARG   3 -10.291  16.568   0.373
   19    HB2  ARG   3           HB2      ARG   3  -7.858  16.929   0.858
   20    HB3  ARG   3           HB3      ARG   3  -8.949  17.844   1.889
   21    HG2  ARG   3           HG2      ARG   3  -7.939  17.009   3.668
   22    HG3  ARG   3           HG3      ARG   3  -8.448  15.389   3.186
   23    HD2  ARG   3           HD2      ARG   3  -6.450  15.057   1.925
   24    HD3  ARG   3           HD3      ARG   3  -5.982  16.746   2.117
   25    HE   ARG   3           HE       ARG   3  -6.178  15.749   4.668
   26   HH11  ARG   3          HH11      ARG   3  -2.994  14.357   2.680
   27   HH12  ARG   3          HH12      ARG   3  -4.355  14.976   1.805
   28   HH21  ARG   3          HH21      ARG   3  -3.017  14.336   4.971
   29   HH22  ARG   3          HH22      ARG   3  -4.392  14.938   5.832
   30    H    ILE   4           H        ILE   4 -10.147  15.115  -1.193
   31    HA   ILE   4           HA       ILE   4  -9.259  12.425  -0.693
   32    HB   ILE   4           HB       ILE   4  -9.991  13.758  -3.302
   33   HG12  ILE   4          HG12      ILE   4 -11.887  11.813  -2.424
   34   HG13  ILE   4          HG13      ILE   4 -11.592  12.930  -1.095
   35   HG21  ILE   4          HG21      ILE   4  -9.363  10.921  -2.567
   36   HG22  ILE   4          HG22      ILE   4 -10.388  11.305  -3.950
   37   HG23  ILE   4          HG23      ILE   4  -8.725  11.891  -3.894
   38   HD11  ILE   4          HD11      ILE   4 -13.465  13.423  -2.814
   39   HD12  ILE   4          HD12      ILE   4 -12.426  14.733  -2.252
   40   HD13  ILE   4          HD13      ILE   4 -12.137  13.992  -3.826
   41    H    GLY   5           H        GLY   5  -8.216  14.812  -3.140
   42    HA2  GLY   5           HA2      GLY   5  -5.436  13.980  -2.636
   43    HA3  GLY   5           HA3      GLY   5  -6.064  13.975  -4.277
   44    H    VAL   6           H        VAL   6  -3.954  15.574  -2.697
   45    HA   VAL   6           HA       VAL   6  -4.923  18.263  -3.406
   46    HB   VAL   6           HB       VAL   6  -2.665  17.502  -1.548
   47   HG11  VAL   6          HG11      VAL   6  -3.630  20.089  -2.641
   48   HG12  VAL   6          HG12      VAL   6  -3.105  20.047  -0.956
   49   HG13  VAL   6          HG13      VAL   6  -1.993  19.568  -2.240
   50   HG21  VAL   6          HG21      VAL   6  -5.310  18.749  -0.833
   51   HG22  VAL   6          HG22      VAL   6  -5.010  17.013  -0.758
   52   HG23  VAL   6          HG23      VAL   6  -4.079  18.112   0.259
   53    H    ARG   7           H        ARG   7  -4.309  18.707  -5.434
   54    HA   ARG   7           HA       ARG   7  -2.988  19.102  -7.242
   55    HB2  ARG   7           HB2      ARG   7  -1.482  19.841  -5.018
   56    HB3  ARG   7           HB3      ARG   7  -0.391  18.840  -5.966
   57    HG2  ARG   7           HG2      ARG   7  -1.319  20.376  -7.929
   58    HG3  ARG   7           HG3      ARG   7  -1.553  21.489  -6.579
   59    HD2  ARG   7           HD2      ARG   7   0.597  22.028  -6.748
   60    HD3  ARG   7           HD3      ARG   7   0.989  20.397  -6.204
   61    HE   ARG   7           HE       ARG   7   0.491  20.366  -8.972
   62   HH11  ARG   7          HH11      ARG   7   4.174  21.383  -7.775
   63   HH12  ARG   7          HH12      ARG   7   2.847  21.485  -6.666
   64   HH21  ARG   7          HH21      ARG   7   3.821  20.668  -9.924
   65   HH22  ARG   7          HH22      ARG   7   2.231  20.228 -10.443
   66    H    LEU   8           H        LEU   8  -1.077  18.170  -8.535
   67    HA   LEU   8           HA       LEU   8  -1.513  15.405  -8.874
   68    HB2  LEU   8           HB2      LEU   8   0.339  17.425 -10.019
   69    HB3  LEU   8           HB3      LEU   8   0.730  15.723 -10.254
   70    HG   LEU   8           HG       LEU   8  -1.739  15.596 -11.132
   71   HD11  LEU   8          HD11      LEU   8  -2.821  17.518 -11.330
   72   HD12  LEU   8          HD12      LEU   8  -1.555  18.123 -12.398
   73   HD13  LEU   8          HD13      LEU   8  -1.438  18.381 -10.657
   74   HD21  LEU   8          HD21      LEU   8  -0.915  16.030 -13.392
   75   HD22  LEU   8          HD22      LEU   8   0.255  15.109 -12.448
   76   HD23  LEU   8          HD23      LEU   8   0.505  16.834 -12.724
   77    HA   PRO   9           HA       PRO   9   1.379  13.441  -6.224
   78    HB2  PRO   9           HB2      PRO   9   2.337  11.435  -7.782
   79    HB3  PRO   9           HB3      PRO   9   0.699  11.438  -7.119
   80    HG2  PRO   9           HG2      PRO   9   1.633  12.194  -9.860
   81    HG3  PRO   9           HG3      PRO   9   0.218  11.237  -9.385
   82    HD2  PRO   9           HD2      PRO   9   0.046  13.849 -10.077
   83    HD3  PRO   9           HD3      PRO   9  -1.032  13.107  -8.878
   84    H    GLY  10           H        GLY  10   3.721  12.474  -6.252
   85    HA2  GLY  10           HA2      GLY  10   5.435  14.576  -7.358
   86    HA3  GLY  10           HA3      GLY  10   5.873  13.445  -6.086
   87    H    HIS  11           H        HIS  11   4.647  11.274  -7.885
   88    HA   HIS  11           HA       HIS  11   5.425   9.704  -9.333
   89    HB2  HIS  11           HB2      HIS  11   6.291  12.270 -10.586
   90    HB3  HIS  11           HB3      HIS  11   6.917  10.764 -11.251
   91    HD1  HIS  11           HD1      HIS  11   3.576  12.401 -10.496
   92    HD2  HIS  11           HD2      HIS  11   5.242   9.539 -13.006
   93    HE1  HIS  11           HE1      HIS  11   1.741  11.752 -12.088
   94    H    GLN  12           H        GLN  12   7.580   8.886 -10.415
   95    HA   GLN  12           HA       GLN  12   9.769   9.300  -8.487
   96    HB2  GLN  12           HB2      GLN  12   8.305   6.962  -8.849
   97    HB3  GLN  12           HB3      GLN  12   9.785   6.683  -9.755
   98    HG2  GLN  12           HG2      GLN  12  10.381   5.894  -7.698
   99    HG3  GLN  12           HG3      GLN  12  10.936   7.565  -7.585
  100   HE21  GLN  12          HE21      GLN  12  10.475   8.483  -5.732
  101   HE22  GLN  12          HE22      GLN  12   9.091   8.167  -4.747
  102    H    LYS  13           H        LYS  13   9.271  10.535 -11.112
  103    HA   LYS  13           HA       LYS  13  11.311   9.357 -12.826
  104    HB2  LYS  13           HB2      LYS  13   9.086  11.245 -13.166
  105    HB3  LYS  13           HB3      LYS  13  10.534  11.672 -14.069
  106    HG2  LYS  13           HG2      LYS  13  10.492   9.245 -14.897
  107    HG3  LYS  13           HG3      LYS  13   8.832   9.220 -14.298
  108    HD2  LYS  13           HD2      LYS  13   8.229  11.046 -15.747
  109    HD3  LYS  13           HD3      LYS  13   9.908  11.251 -16.253
  110    HE2  LYS  13           HE2      LYS  13   9.367   8.585 -16.775
  111    HE3  LYS  13           HE3      LYS  13   7.878   9.415 -17.225
  112    HZ1  LYS  13           HZ1      LYS  13   9.692  11.011 -18.336
  113    HZ2  LYS  13           HZ2      LYS  13   8.977   9.711 -19.148
  114    HZ3  LYS  13           HZ3      LYS  13  10.507   9.532 -18.448
  115    H    ARG  14           H        ARG  14  10.636  12.599 -11.492
  116    HA   ARG  14           HA       ARG  14  13.250  13.572 -12.048
  117    HB2  ARG  14           HB2      ARG  14  10.822  14.693 -11.298
  118    HB3  ARG  14           HB3      ARG  14  11.862  14.976  -9.909
  119    HG2  ARG  14           HG2      ARG  14  13.507  16.054 -11.359
  120    HG3  ARG  14           HG3      ARG  14  12.457  15.775 -12.750
  121    HD2  ARG  14           HD2      ARG  14  11.375  17.213 -10.372
  122    HD3  ARG  14           HD3      ARG  14  12.438  18.075 -11.486
  123    HE   ARG  14           HE       ARG  14  10.288  16.691 -12.792
  124   HH11  ARG  14          HH11      ARG  14  10.025  20.596 -11.954
  125   HH12  ARG  14          HH12      ARG  14  11.234  19.627 -11.180
  126   HH21  ARG  14          HH21      ARG  14   8.578  19.645 -13.454
  127   HH22  ARG  14          HH22      ARG  14   8.692  17.956 -13.818
  128    H    MK8  15           H2       MK8  15  12.030  11.518  -9.547
  129    HB   MK8  15           HB       MK8  15  12.003  10.080  -7.337
  130    HBA  MK8  15           HBA      MK8  15  12.925   9.352  -8.625
  131    HD   MK8  15           HD       MK8  15  14.434   7.382  -7.747
  132    HDA  MK8  15           HDA      MK8  15  15.536   8.709  -8.000
  133    HE   MK8  15           HE       MK8  15  15.334   7.172  -5.349
  134    HG   MK8  15           HG       MK8  15  14.322   9.842  -5.948
  135    HGA  MK8  15           HGA      MK8  15  13.164   8.548  -6.079
  136    HB1  MK8  15           HB1      MK8  15  14.062  12.021  -6.019
  137   HB1A  MK8  15          HB1A      MK8  15  13.662  13.346  -7.105
  138   HB1B  MK8  15          HB1B      MK8  15  12.385  12.308  -6.494
  139    H    ALA  16           H        ALA  16  14.347  10.247 -10.096
  140    HA   ALA  16           HA       ALA  16  16.971   9.554  -9.691
  141    HB1  ALA  16           HB1      ALA  16  15.232   9.271 -11.743
  142    HB2  ALA  16           HB2      ALA  16  16.379  10.419 -12.437
  143    HB3  ALA  16           HB3      ALA  16  16.947   8.864 -11.830
  144    H    TYR  17           H        TYR  17  15.747  12.571 -11.112
  145    HA   TYR  17           HA       TYR  17  18.203  13.738 -11.732
  146    HB2  TYR  17           HB2      TYR  17  15.585  14.481 -11.993
  147    HB3  TYR  17           HB3      TYR  17  16.147  15.607 -10.762
  148    HD1  TYR  17           HD1      TYR  17  17.190  17.569 -11.420
  149    HD2  TYR  17           HD2      TYR  17  17.100  14.281 -14.118
  150    HE1  TYR  17           HE1      TYR  17  18.200  18.981 -13.163
  151    HE2  TYR  17           HE2      TYR  17  18.111  15.682 -15.869
  152    HH   TYR  17           HH       TYR  17  18.980  17.664 -16.368
  153    H    SER  18           H        SER  18  16.277  13.936  -8.757
  154    HA   SER  18           HA       SER  18  17.847  15.741  -7.347
  155    HB2  SER  18           HB2      SER  18  15.601  14.235  -6.796
  156    HB3  SER  18           HB3      SER  18  16.794  13.578  -5.677
  157    HG   SER  18           HG       SER  18  15.431  15.631  -5.192
  158    H    MK8  19           H2       MK8  19  18.291  12.253  -7.859
  159    HB   MK8  19           HB       MK8  19  19.653  10.233  -8.493
  160    HBA  MK8  19           HBA      MK8  19  20.775   9.696  -7.289
  161    HD   MK8  19           HD       MK8  19  17.724   8.439  -8.090
  162    HDA  MK8  19           HDA      MK8  19  19.013   7.638  -7.229
  163    HE   MK8  19           HE       MK8  19  17.671   7.271  -5.244
  164    HG   MK8  19           HG       MK8  19  19.047   9.524  -5.573
  165    HGA  MK8  19           HGA      MK8  19  17.867  10.375  -6.548
  166    HB1  MK8  19           HB1      MK8  19  21.308  10.969  -5.316
  167   HB1A  MK8  19          HB1A      MK8  19  20.958  12.674  -5.187
  168   HB1B  MK8  19          HB1B      MK8  19  19.678  11.538  -4.895
  169    H    LEU  20           H        LEU  20  20.226  12.692  -9.369
  170    HA   LEU  20           HA       LEU  20  22.840  12.949 -10.187
  171    HB2  LEU  20           HB2      LEU  20  20.526  13.301 -11.408
  172    HB3  LEU  20           HB3      LEU  20  20.877  14.998 -11.085
  173    HG   LEU  20           HG       LEU  20  21.624  14.581 -13.281
  174   HD11  LEU  20          HD11      LEU  20  23.939  15.084 -13.175
  175   HD12  LEU  20          HD12      LEU  20  24.105  14.303 -11.603
  176   HD13  LEU  20          HD13      LEU  20  23.195  15.805 -11.747
  177   HD21  LEU  20          HD21      LEU  20  21.762  11.986 -12.627
  178   HD22  LEU  20          HD22      LEU  20  23.480  12.386 -12.594
  179   HD23  LEU  20          HD23      LEU  20  22.536  12.664 -14.059
  180    H    GLY  21           H        GLY  21  20.780  15.548  -8.866
  181    HA2  GLY  21           HA2      GLY  21  22.880  17.461  -8.770
  182    HA3  GLY  21           HA3      GLY  21  21.331  17.584  -7.949
  183    H    LEU  22           H        LEU  22  22.345  14.741  -6.891
  184    HA   LEU  22           HA       LEU  22  24.000  15.859  -4.728
  185    HB2  LEU  22           HB2      LEU  22  21.399  15.025  -4.448
  186    HB3  LEU  22           HB3      LEU  22  22.315  13.598  -3.969
  187    HG   LEU  22           HG       LEU  22  21.688  14.992  -2.051
  188   HD11  LEU  22          HD11      LEU  22  24.110  15.373  -1.227
  189   HD12  LEU  22          HD12      LEU  22  24.572  14.629  -2.757
  190   HD13  LEU  22          HD13      LEU  22  23.581  13.733  -1.606
  191   HD21  LEU  22          HD21      LEU  22  22.444  17.195  -1.748
  192   HD22  LEU  22          HD22      LEU  22  21.817  17.148  -3.397
  193   HD23  LEU  22          HD23      LEU  22  23.557  17.092  -3.111
  194    H    LYS  23           H        LYS  23  24.872  14.498  -7.102
  195    HA   LYS  23           HA       LYS  23  26.078  12.117  -5.859
  196    HB2  LYS  23           HB2      LYS  23  24.729  12.404  -8.495
  197    HB3  LYS  23           HB3      LYS  23  26.168  11.394  -8.432
  198    HG2  LYS  23           HG2      LYS  23  24.047  10.962  -6.395
  199    HG3  LYS  23           HG3      LYS  23  23.769  10.394  -8.044
  200    HD2  LYS  23           HD2      LYS  23  26.288   9.496  -7.616
  201    HD3  LYS  23           HD3      LYS  23  25.626   9.405  -5.982
  202    HE2  LYS  23           HE2      LYS  23  23.593   8.301  -7.288
  203    HE3  LYS  23           HE3      LYS  23  24.873   7.905  -8.432
  204    HZ1  LYS  23           HZ1      LYS  23  24.548   7.026  -5.642
  205    HZ2  LYS  23           HZ2      LYS  23  26.089   7.065  -6.335
  206    HZ3  LYS  23           HZ3      LYS  23  24.879   6.103  -7.021
  207    H    ASP  24           H        ASP  24  26.390  14.642  -8.318
  208    HA   ASP  24           HA       ASP  24  29.249  14.150  -8.554
  209    HB2  ASP  24           HB2      ASP  24  27.404  14.957 -10.381
  210    HB3  ASP  24           HB3      ASP  24  28.088  16.507  -9.897
  211    H    GLN  25           H        GLN  25  27.048  16.338  -7.008
  212    HA   GLN  25           HA       GLN  25  29.320  17.978  -6.099
  213    HB2  GLN  25           HB2      GLN  25  27.183  18.923  -7.389
  214    HB3  GLN  25           HB3      GLN  25  26.526  18.940  -5.759
  215    HG2  GLN  25           HG2      GLN  25  27.548  20.858  -5.379
  216    HG3  GLN  25           HG3      GLN  25  29.106  20.069  -5.625
  217   HE21  GLN  25          HE21      GLN  25  29.192  19.535  -8.230
  218   HE22  GLN  25          HE22      GLN  25  29.090  20.979  -9.172
  219    H    VAL  26           H        VAL  26  28.343  15.401  -5.001
  220    HA   VAL  26           HA       VAL  26  26.999  15.964  -2.540
  221    HB   VAL  26           HB       VAL  26  26.879  13.756  -3.670
  222   HG11  VAL  26          HG11      VAL  26  28.658  12.399  -4.013
  223   HG12  VAL  26          HG12      VAL  26  29.539  13.928  -3.988
  224   HG13  VAL  26          HG13      VAL  26  29.478  12.920  -2.541
  225   HG21  VAL  26          HG21      VAL  26  28.037  12.970  -1.108
  226   HG22  VAL  26          HG22      VAL  26  26.910  14.322  -0.987
  227   HG23  VAL  26          HG23      VAL  26  26.387  12.799  -1.707
  228    HN1  NH2  27           HN1      NH2  27  30.331  15.794  -3.593
  229    HN2  NH2  27           HN2      NH2  27  31.059  16.125  -2.057
  Start of MODEL   13
    1    H1   ACE   1           H1       ACE   1  -4.159  27.235   5.791
    2    H2   ACE   1           H2       ACE   1  -3.102  26.428   4.606
    3    H3   ACE   1           H3       ACE   1  -4.817  26.714   4.220
    4    H    LYS   2           H        LYS   2  -4.450  24.344   3.771
    5    HA   LYS   2           HA       LYS   2  -5.083  22.812   6.208
    6    HB2  LYS   2           HB2      LYS   2  -6.931  23.164   4.471
    7    HB3  LYS   2           HB3      LYS   2  -6.004  22.091   3.431
    8    HG2  LYS   2           HG2      LYS   2  -7.302  20.512   4.358
    9    HG3  LYS   2           HG3      LYS   2  -6.115  20.593   5.662
   10    HD2  LYS   2           HD2      LYS   2  -7.516  21.824   7.035
   11    HD3  LYS   2           HD3      LYS   2  -8.482  22.422   5.685
   12    HE2  LYS   2           HE2      LYS   2  -9.170  19.963   5.368
   13    HE3  LYS   2           HE3      LYS   2  -8.543  19.725   6.997
   14    HZ1  LYS   2           HZ1      LYS   2 -10.301  21.984   6.775
   15    HZ2  LYS   2           HZ2      LYS   2 -10.313  20.712   7.890
   16    HZ3  LYS   2           HZ3      LYS   2 -11.056  20.522   6.383
   17    H    ARG   3           H        ARG   3  -2.451  23.295   4.991
   18    HA   ARG   3           HA       ARG   3  -1.759  20.570   4.124
   19    HB2  ARG   3           HB2      ARG   3  -0.248  23.166   3.775
   20    HB3  ARG   3           HB3      ARG   3   0.332  21.588   3.258
   21    HG2  ARG   3           HG2      ARG   3  -1.511  21.390   1.697
   22    HG3  ARG   3           HG3      ARG   3  -2.167  22.933   2.252
   23    HD2  ARG   3           HD2      ARG   3   0.645  22.864   1.289
   24    HD3  ARG   3           HD3      ARG   3  -0.646  22.753   0.091
   25    HE   ARG   3           HE       ARG   3   0.130  25.071   1.577
   26   HH11  ARG   3          HH11      ARG   3  -3.407  24.957  -0.295
   27   HH12  ARG   3          HH12      ARG   3  -2.539  23.488  -0.000
   28   HH21  ARG   3          HH21      ARG   3  -2.533  26.963   0.386
   29   HH22  ARG   3          HH22      ARG   3  -1.005  27.013   1.197
   30    H    ILE   4           H        ILE   4  -0.789  19.302   5.550
   31    HA   ILE   4           HA       ILE   4   0.888  20.531   7.632
   32    HB   ILE   4           HB       ILE   4  -1.019  18.229   8.056
   33   HG12  ILE   4          HG12      ILE   4  -1.077  21.056   9.135
   34   HG13  ILE   4          HG13      ILE   4  -2.152  20.413   7.897
   35   HG21  ILE   4          HG21      ILE   4   1.352  18.956   9.425
   36   HG22  ILE   4          HG22      ILE   4  -0.016  19.325  10.475
   37   HG23  ILE   4          HG23      ILE   4   0.191  17.694   9.835
   38   HD11  ILE   4          HD11      ILE   4  -2.355  18.666  10.073
   39   HD12  ILE   4          HD12      ILE   4  -2.386  20.297  10.744
   40   HD13  ILE   4          HD13      ILE   4  -3.550  19.831   9.503
   41    H    GLY   5           H        GLY   5   2.906  19.898   7.240
   42    HA2  GLY   5           HA2      GLY   5   4.642  18.320   7.270
   43    HA3  GLY   5           HA3      GLY   5   3.461  17.049   6.989
   44    H    VAL   6           H        VAL   6   5.529  16.636   5.545
   45    HA   VAL   6           HA       VAL   6   5.490  18.073   3.035
   46    HB   VAL   6           HB       VAL   6   7.040  15.588   3.780
   47   HG11  VAL   6          HG11      VAL   6   8.276  17.257   1.806
   48   HG12  VAL   6          HG12      VAL   6   7.796  15.563   1.692
   49   HG13  VAL   6          HG13      VAL   6   6.641  16.837   1.292
   50   HG21  VAL   6          HG21      VAL   6   7.493  18.466   4.294
   51   HG22  VAL   6          HG22      VAL   6   8.003  17.054   5.219
   52   HG23  VAL   6          HG23      VAL   6   8.887  17.523   3.767
   53    H    ARG   7           H        ARG   7   4.222  17.593   1.375
   54    HA   ARG   7           HA       ARG   7   3.524  14.834   0.799
   55    HB2  ARG   7           HB2      ARG   7   1.767  15.859   2.374
   56    HB3  ARG   7           HB3      ARG   7   1.299  16.851   1.001
   57    HG2  ARG   7           HG2      ARG   7   0.257  15.157  -0.032
   58    HG3  ARG   7           HG3      ARG   7   1.488  13.980   0.433
   59    HD2  ARG   7           HD2      ARG   7   0.546  13.875   2.682
   60    HD3  ARG   7           HD3      ARG   7  -0.670  15.072   2.237
   61    HE   ARG   7           HE       ARG   7  -1.869  13.416   1.217
   62   HH11  ARG   7          HH11      ARG   7   1.055  10.681   1.221
   63   HH12  ARG   7          HH12      ARG   7   1.392  12.305   1.723
   64   HH21  ARG   7          HH21      ARG   7  -1.060  10.100   0.557
   65   HH22  ARG   7          HH22      ARG   7  -2.325  11.282   0.555
   66    H    LEU   8           H        LEU   8   4.332  14.772  -1.210
   67    HA   LEU   8           HA       LEU   8   3.751  16.986  -3.045
   68    HB2  LEU   8           HB2      LEU   8   5.906  14.990  -2.799
   69    HB3  LEU   8           HB3      LEU   8   5.408  15.380  -4.443
   70    HG   LEU   8           HG       LEU   8   5.728  17.863  -3.324
   71   HD11  LEU   8          HD11      LEU   8   6.693  16.736  -1.305
   72   HD12  LEU   8          HD12      LEU   8   7.759  17.902  -2.088
   73   HD13  LEU   8          HD13      LEU   8   8.014  16.175  -2.329
   74   HD21  LEU   8          HD21      LEU   8   7.153  16.121  -5.187
   75   HD22  LEU   8          HD22      LEU   8   8.169  17.363  -4.455
   76   HD23  LEU   8          HD23      LEU   8   6.708  17.821  -5.334
   77    HA   PRO   9           HA       PRO   9   0.918  14.697  -5.492
   78    HB2  PRO   9           HB2      PRO   9   1.599  15.427  -8.017
   79    HB3  PRO   9           HB3      PRO   9   0.793  16.520  -6.887
   80    HG2  PRO   9           HG2      PRO   9   3.694  16.336  -7.601
   81    HG3  PRO   9           HG3      PRO   9   2.683  17.778  -7.389
   82    HD2  PRO   9           HD2      PRO   9   4.379  16.893  -5.472
   83    HD3  PRO   9           HD3      PRO   9   2.851  17.710  -5.091
   84    H    GLY  10           H        GLY  10   4.211  14.562  -6.866
   85    HA2  GLY  10           HA2      GLY  10   4.850  11.983  -6.649
   86    HA3  GLY  10           HA3      GLY  10   3.679  11.915  -7.958
   87    H    HIS  11           H        HIS  11   6.905  12.650  -7.061
   88    HA   HIS  11           HA       HIS  11   7.500  13.389  -9.850
   89    HB2  HIS  11           HB2      HIS  11   8.707  14.435  -7.294
   90    HB3  HIS  11           HB3      HIS  11   9.510  14.608  -8.851
   91    HD1  HIS  11           HD1      HIS  11   6.365  15.677  -7.052
   92    HD2  HIS  11           HD2      HIS  11   8.606  16.682 -10.404
   93    HE1  HIS  11           HE1      HIS  11   5.364  17.816  -7.914
   94    H    GLN  12           H        GLN  12   7.411  10.746  -9.097
   95    HA   GLN  12           HA       GLN  12   9.740   9.598  -8.121
   96    HB2  GLN  12           HB2      GLN  12   7.844   8.541 -10.223
   97    HB3  GLN  12           HB3      GLN  12   9.066   7.577  -9.406
   98    HG2  GLN  12           HG2      GLN  12   7.976   7.888  -7.290
   99    HG3  GLN  12           HG3      GLN  12   6.821   9.009  -8.007
  100   HE21  GLN  12          HE21      GLN  12   5.228   8.201  -9.417
  101   HE22  GLN  12          HE22      GLN  12   4.772   6.534  -9.392
  102    H    LYS  13           H        LYS  13   8.995  10.802 -11.331
  103    HA   LYS  13           HA       LYS  13  11.248   9.696 -12.646
  104    HB2  LYS  13           HB2      LYS  13   9.017  11.305 -13.339
  105    HB3  LYS  13           HB3      LYS  13  10.459  12.164 -13.863
  106    HG2  LYS  13           HG2      LYS  13  10.922   9.566 -14.672
  107    HG3  LYS  13           HG3      LYS  13   9.198   9.800 -14.967
  108    HD2  LYS  13           HD2      LYS  13  11.248  11.812 -15.850
  109    HD3  LYS  13           HD3      LYS  13  10.818  10.421 -16.849
  110    HE2  LYS  13           HE2      LYS  13   8.463  11.138 -16.788
  111    HE3  LYS  13           HE3      LYS  13   8.930  12.548 -15.839
  112    HZ1  LYS  13           HZ1      LYS  13   9.615  11.932 -18.652
  113    HZ2  LYS  13           HZ2      LYS  13  10.451  13.100 -17.760
  114    HZ3  LYS  13           HZ3      LYS  13   8.794  13.281 -18.045
  115    H    ARG  14           H        ARG  14  10.680  12.730 -10.947
  116    HA   ARG  14           HA       ARG  14  13.225  13.852 -11.656
  117    HB2  ARG  14           HB2      ARG  14  11.045  15.086 -10.989
  118    HB3  ARG  14           HB3      ARG  14  11.549  14.763  -9.335
  119    HG2  ARG  14           HG2      ARG  14  13.625  15.974  -9.713
  120    HG3  ARG  14           HG3      ARG  14  13.153  16.274 -11.386
  121    HD2  ARG  14           HD2      ARG  14  11.150  17.078  -9.408
  122    HD3  ARG  14           HD3      ARG  14  12.676  17.952  -9.285
  123    HE   ARG  14           HE       ARG  14  10.709  18.213 -11.337
  124   HH11  ARG  14          HH11      ARG  14  14.435  19.542 -11.952
  125   HH12  ARG  14          HH12      ARG  14  14.119  18.427 -10.665
  126   HH21  ARG  14          HH21      ARG  14  12.725  20.254 -13.301
  127   HH22  ARG  14          HH22      ARG  14  11.114  19.680 -13.036
  128    H    MK8  15           H2       MK8  15  12.284  11.421  -9.419
  129    HB   MK8  15           HB       MK8  15  12.312   9.854  -7.355
  130    HBA  MK8  15           HBA      MK8  15  13.306   9.156  -8.612
  131    HD   MK8  15           HD       MK8  15  14.658   7.200  -7.847
  132    HDA  MK8  15           HDA      MK8  15  15.804   8.507  -8.006
  133    HE   MK8  15           HE       MK8  15  15.532   6.724  -5.507
  134    HG   MK8  15           HG       MK8  15  14.648   9.577  -5.931
  135    HGA  MK8  15           HGA      MK8  15  13.445   8.322  -6.085
  136    HB1  MK8  15           HB1      MK8  15  12.878  11.867  -6.214
  137   HB1A  MK8  15          HB1A      MK8  15  14.628  11.738  -6.018
  138   HB1B  MK8  15          HB1B      MK8  15  13.922  13.082  -6.899
  139    H    ALA  16           H        ALA  16  14.512   9.982 -10.093
  140    HA   ALA  16           HA       ALA  16  17.152   9.338  -9.972
  141    HB1  ALA  16           HB1      ALA  16  16.232  10.277 -12.621
  142    HB2  ALA  16           HB2      ALA  16  16.988   8.753 -12.155
  143    HB3  ALA  16           HB3      ALA  16  15.274   9.019 -11.844
  144    H    TYR  17           H        TYR  17  15.857  12.326 -11.424
  145    HA   TYR  17           HA       TYR  17  18.367  13.468 -12.002
  146    HB2  TYR  17           HB2      TYR  17  16.070  14.143 -12.907
  147    HB3  TYR  17           HB3      TYR  17  15.868  15.048 -11.411
  148    HD1  TYR  17           HD1      TYR  17  16.864  15.297 -14.735
  149    HD2  TYR  17           HD2      TYR  17  17.971  16.617 -10.845
  150    HE1  TYR  17           HE1      TYR  17  18.070  17.197 -15.728
  151    HE2  TYR  17           HE2      TYR  17  19.180  18.520 -11.828
  152    HH   TYR  17           HH       TYR  17  20.106  19.282 -13.820
  153    H    SER  18           H        SER  18  16.213  13.772  -9.210
  154    HA   SER  18           HA       SER  18  17.637  15.763  -7.845
  155    HB2  SER  18           HB2      SER  18  15.289  14.710  -7.371
  156    HB3  SER  18           HB3      SER  18  16.199  13.582  -6.367
  157    HG   SER  18           HG       SER  18  16.209  15.084  -4.913
  158    H    MK8  19           H2       MK8  19  18.086  12.217  -7.948
  159    HB   MK8  19           HB       MK8  19  19.467  10.270  -8.376
  160    HBA  MK8  19           HBA      MK8  19  20.668   9.818  -7.203
  161    HD   MK8  19           HD       MK8  19  17.951   8.251  -8.068
  162    HDA  MK8  19           HDA      MK8  19  19.278   7.610  -7.130
  163    HE   MK8  19           HE       MK8  19  17.881   6.884  -5.326
  164    HG   MK8  19           HG       MK8  19  18.998   9.446  -5.465
  165    HGA  MK8  19           HGA      MK8  19  17.718  10.147  -6.441
  166    HB1  MK8  19           HB1      MK8  19  19.159  11.630  -4.859
  167   HB1A  MK8  19          HB1A      MK8  19  20.864  11.177  -5.050
  168   HB1B  MK8  19          HB1B      MK8  19  20.372  12.858  -5.031
  169    H    LEU  20           H        LEU  20  20.132  12.581  -9.280
  170    HA   LEU  20           HA       LEU  20  22.825  12.740  -9.843
  171    HB2  LEU  20           HB2      LEU  20  20.594  13.084 -11.279
  172    HB3  LEU  20           HB3      LEU  20  21.084  14.769 -11.112
  173    HG   LEU  20           HG       LEU  20  21.917  13.962 -13.193
  174   HD11  LEU  20          HD11      LEU  20  24.342  13.808 -11.455
  175   HD12  LEU  20          HD12      LEU  20  23.421  15.306 -11.564
  176   HD13  LEU  20          HD13      LEU  20  24.130  14.600 -13.016
  177   HD21  LEU  20          HD21      LEU  20  21.934  11.504 -12.093
  178   HD22  LEU  20          HD22      LEU  20  23.658  11.876 -12.051
  179   HD23  LEU  20          HD23      LEU  20  22.782  11.918 -13.583
  180    H    GLY  21           H        GLY  21  20.681  15.406  -8.842
  181    HA2  GLY  21           HA2      GLY  21  22.640  17.412  -8.789
  182    HA3  GLY  21           HA3      GLY  21  21.142  17.432  -7.869
  183    H    LEU  22           H        LEU  22  22.220  14.740  -6.717
  184    HA   LEU  22           HA       LEU  22  23.623  16.027  -4.499
  185    HB2  LEU  22           HB2      LEU  22  21.576  14.392  -4.363
  186    HB3  LEU  22           HB3      LEU  22  22.821  13.153  -4.502
  187    HG   LEU  22           HG       LEU  22  22.185  13.548  -2.175
  188   HD11  LEU  22          HD11      LEU  22  24.644  13.141  -3.086
  189   HD12  LEU  22          HD12      LEU  22  24.301  13.354  -1.370
  190   HD13  LEU  22          HD13      LEU  22  24.910  14.707  -2.320
  191   HD21  LEU  22          HD21      LEU  22  22.141  16.235  -2.950
  192   HD22  LEU  22          HD22      LEU  22  23.479  16.092  -1.808
  193   HD23  LEU  22          HD23      LEU  22  21.858  15.579  -1.337
  194    H    LYS  23           H        LYS  23  23.994  13.355  -6.790
  195    HA   LYS  23           HA       LYS  23  26.539  12.530  -5.809
  196    HB2  LYS  23           HB2      LYS  23  24.810  11.878  -8.126
  197    HB3  LYS  23           HB3      LYS  23  26.529  11.570  -8.328
  198    HG2  LYS  23           HG2      LYS  23  26.436  10.260  -6.183
  199    HG3  LYS  23           HG3      LYS  23  24.679  10.409  -6.264
  200    HD2  LYS  23           HD2      LYS  23  24.845   8.457  -7.390
  201    HD3  LYS  23           HD3      LYS  23  25.190   9.522  -8.756
  202    HE2  LYS  23           HE2      LYS  23  26.969   8.113  -8.936
  203    HE3  LYS  23           HE3      LYS  23  27.661   9.295  -7.827
  204    HZ1  LYS  23           HZ1      LYS  23  28.070   7.560  -6.517
  205    HZ2  LYS  23           HZ2      LYS  23  27.055   6.530  -7.393
  206    HZ3  LYS  23           HZ3      LYS  23  26.411   7.525  -6.185
  207    H    ASP  24           H        ASP  24  25.579  15.237  -7.510
  208    HA   ASP  24           HA       ASP  24  28.019  15.510  -9.066
  209    HB2  ASP  24           HB2      ASP  24  25.384  16.639  -9.157
  210    HB3  ASP  24           HB3      ASP  24  26.565  17.942  -9.051
  211    H    GLN  25           H        GLN  25  27.021  16.131  -5.925
  212    HA   GLN  25           HA       GLN  25  29.092  18.199  -5.586
  213    HB2  GLN  25           HB2      GLN  25  26.621  18.745  -5.051
  214    HB3  GLN  25           HB3      GLN  25  26.858  17.734  -3.631
  215    HG2  GLN  25           HG2      GLN  25  28.891  19.241  -3.167
  216    HG3  GLN  25           HG3      GLN  25  28.140  20.346  -4.318
  217   HE21  GLN  25          HE21      GLN  25  27.519  21.948  -2.990
  218   HE22  GLN  25          HE22      GLN  25  26.409  21.761  -1.681
  219    H    VAL  26           H        VAL  26  27.921  15.095  -4.613
  220    HA   VAL  26           HA       VAL  26  29.110  14.687  -2.165
  221    HB   VAL  26           HB       VAL  26  29.278  12.294  -2.772
  222   HG11  VAL  26          HG11      VAL  26  27.151  12.364  -2.121
  223   HG12  VAL  26          HG12      VAL  26  26.909  13.942  -2.870
  224   HG13  VAL  26          HG13      VAL  26  26.708  12.472  -3.824
  225   HG21  VAL  26          HG21      VAL  26  28.238  11.769  -5.095
  226   HG22  VAL  26          HG22      VAL  26  28.781  13.395  -5.508
  227   HG23  VAL  26          HG23      VAL  26  29.948  12.181  -4.984
  228    HN1  NH2  27           HN1      NH2  27  30.596  14.790  -5.351
  229    HN2  NH2  27           HN2      NH2  27  32.232  14.588  -4.823
  Start of MODEL   14
    1    H1   ACE   1           H1       ACE   1  10.459  32.413 -10.761
    2    H2   ACE   1           H2       ACE   1  12.102  31.812 -10.435
    3    H3   ACE   1           H3       ACE   1  10.817  30.676 -10.914
    4    H    LYS   2           H        LYS   2   8.796  31.908  -9.333
    5    HA   LYS   2           HA       LYS   2   9.671  31.002  -6.672
    6    HB2  LYS   2           HB2      LYS   2   9.343  33.544  -6.964
    7    HB3  LYS   2           HB3      LYS   2   7.625  33.176  -7.047
    8    HG2  LYS   2           HG2      LYS   2   7.542  32.459  -4.841
    9    HG3  LYS   2           HG3      LYS   2   9.286  32.200  -4.758
   10    HD2  LYS   2           HD2      LYS   2   8.926  34.161  -3.526
   11    HD3  LYS   2           HD3      LYS   2   9.492  34.730  -5.098
   12    HE2  LYS   2           HE2      LYS   2   7.687  36.112  -4.749
   13    HE3  LYS   2           HE3      LYS   2   6.940  34.801  -5.659
   14    HZ1  LYS   2           HZ1      LYS   2   6.856  35.210  -2.721
   15    HZ2  LYS   2           HZ2      LYS   2   6.289  33.816  -3.493
   16    HZ3  LYS   2           HZ3      LYS   2   5.560  35.310  -3.805
   17    H    ARG   3           H        ARG   3   6.651  31.933  -8.332
   18    HA   ARG   3           HA       ARG   3   5.443  29.451  -7.302
   19    HB2  ARG   3           HB2      ARG   3   4.244  32.152  -7.895
   20    HB3  ARG   3           HB3      ARG   3   3.254  30.711  -7.707
   21    HG2  ARG   3           HG2      ARG   3   4.849  30.640  -5.476
   22    HG3  ARG   3           HG3      ARG   3   4.547  32.366  -5.697
   23    HD2  ARG   3           HD2      ARG   3   2.068  31.424  -6.099
   24    HD3  ARG   3           HD3      ARG   3   2.681  30.177  -5.013
   25    HE   ARG   3           HE       ARG   3   3.360  32.456  -3.745
   26   HH11  ARG   3          HH11      ARG   3  -0.625  32.163  -3.982
   27   HH12  ARG   3          HH12      ARG   3   0.372  31.308  -5.112
   28   HH21  ARG   3          HH21      ARG   3   0.336  33.459  -2.357
   29   HH22  ARG   3          HH22      ARG   3   2.059  33.586  -2.251
   30    H    ILE   4           H        ILE   4   6.964  29.327  -9.615
   31    HA   ILE   4           HA       ILE   4   4.883  28.746 -11.606
   32    HB   ILE   4           HB       ILE   4   7.568  29.918 -12.333
   33   HG12  ILE   4          HG12      ILE   4   5.723  31.787 -13.076
   34   HG13  ILE   4          HG13      ILE   4   5.023  31.199 -11.572
   35   HG21  ILE   4          HG21      ILE   4   6.030  30.341 -14.468
   36   HG22  ILE   4          HG22      ILE   4   6.951  28.857 -14.239
   37   HG23  ILE   4          HG23      ILE   4   5.233  28.898 -13.840
   38   HD11  ILE   4          HD11      ILE   4   7.365  32.871 -12.028
   39   HD12  ILE   4          HD12      ILE   4   6.336  32.715 -10.604
   40   HD13  ILE   4          HD13      ILE   4   7.636  31.558 -10.883
   41    H    GLY   5           H        GLY   5   4.928  26.556 -11.360
   42    HA2  GLY   5           HA2      GLY   5   6.164  24.749 -12.661
   43    HA3  GLY   5           HA3      GLY   5   7.540  25.220 -11.676
   44    H    VAL   6           H        VAL   6   6.977  22.667 -11.525
   45    HA   VAL   6           HA       VAL   6   6.538  20.960 -10.082
   46    HB   VAL   6           HB       VAL   6   5.999  23.092  -8.014
   47   HG11  VAL   6          HG11      VAL   6   5.299  20.885  -7.323
   48   HG12  VAL   6          HG12      VAL   6   6.859  20.209  -7.793
   49   HG13  VAL   6          HG13      VAL   6   6.757  21.342  -6.444
   50   HG21  VAL   6          HG21      VAL   6   8.124  23.713  -8.253
   51   HG22  VAL   6          HG22      VAL   6   8.579  22.120  -7.648
   52   HG23  VAL   6          HG23      VAL   6   8.448  22.400  -9.383
   53    H    ARG   7           H        ARG   7   4.651  20.406 -11.272
   54    HA   ARG   7           HA       ARG   7   2.300  20.261  -9.705
   55    HB2  ARG   7           HB2      ARG   7   2.455  22.680 -10.906
   56    HB3  ARG   7           HB3      ARG   7   1.652  21.759 -12.171
   57    HG2  ARG   7           HG2      ARG   7  -0.119  21.143 -10.635
   58    HG3  ARG   7           HG3      ARG   7   0.700  21.993  -9.324
   59    HD2  ARG   7           HD2      ARG   7   0.544  24.071 -10.775
   60    HD3  ARG   7           HD3      ARG   7  -0.562  23.152 -11.794
   61    HE   ARG   7           HE       ARG   7  -1.649  22.877  -9.346
   62   HH11  ARG   7          HH11      ARG   7  -1.708  26.729 -10.434
   63   HH12  ARG   7          HH12      ARG   7  -0.560  25.648 -11.150
   64   HH21  ARG   7          HH21      ARG   7  -3.187  25.957  -8.864
   65   HH22  ARG   7          HH22      ARG   7  -3.164  24.292  -8.394
   66    H    LEU   8           H        LEU   8   4.060  18.535 -11.190
   67    HA   LEU   8           HA       LEU   8   2.220  17.491 -13.240
   68    HB2  LEU   8           HB2      LEU   8   5.184  17.027 -12.940
   69    HB3  LEU   8           HB3      LEU   8   4.159  16.354 -14.206
   70    HG   LEU   8           HG       LEU   8   3.682  18.864 -14.754
   71   HD11  LEU   8          HD11      LEU   8   6.215  19.826 -14.270
   72   HD12  LEU   8          HD12      LEU   8   5.789  19.024 -12.759
   73   HD13  LEU   8          HD13      LEU   8   4.745  20.287 -13.411
   74   HD21  LEU   8          HD21      LEU   8   5.822  18.866 -16.150
   75   HD22  LEU   8          HD22      LEU   8   4.698  17.527 -16.385
   76   HD23  LEU   8          HD23      LEU   8   6.155  17.297 -15.418
   77    HA   PRO   9           HA       PRO   9   1.520  13.870 -10.859
   78    HB2  PRO   9           HB2      PRO   9   1.194  12.020 -12.819
   79    HB3  PRO   9           HB3      PRO   9  -0.011  13.262 -12.461
   80    HG2  PRO   9           HG2      PRO   9   2.068  13.204 -14.613
   81    HG3  PRO   9           HG3      PRO   9   0.370  13.704 -14.712
   82    HD2  PRO   9           HD2      PRO   9   2.402  15.483 -14.522
   83    HD3  PRO   9           HD3      PRO   9   0.799  15.786 -13.821
   84    H    GLY  10           H        GLY  10   4.144  13.973 -13.138
   85    HA2  GLY  10           HA2      GLY  10   5.293  11.454 -12.337
   86    HA3  GLY  10           HA3      GLY  10   6.035  12.656 -13.381
   87    H    HIS  11           H        HIS  11   6.146  11.199 -10.380
   88    HA   HIS  11           HA       HIS  11   7.717  13.419  -9.246
   89    HB2  HIS  11           HB2      HIS  11   6.232  11.190  -7.840
   90    HB3  HIS  11           HB3      HIS  11   7.268  12.362  -7.031
   91    HD1  HIS  11           HD1      HIS  11   4.589  12.964  -9.661
   92    HD2  HIS  11           HD2      HIS  11   5.509  13.964  -5.735
   93    HE1  HIS  11           HE1      HIS  11   2.823  14.609  -8.954
   94    H    GLN  12           H        GLN  12   7.698  10.064 -10.141
   95    HA   GLN  12           HA       GLN  12  10.114   9.357  -8.790
   96    HB2  GLN  12           HB2      GLN  12   9.984   7.280  -9.991
   97    HB3  GLN  12           HB3      GLN  12   8.361   7.718  -9.470
   98    HG2  GLN  12           HG2      GLN  12   7.848   8.532 -11.703
   99    HG3  GLN  12           HG3      GLN  12   9.483   8.136 -12.233
  100   HE21  GLN  12          HE21      GLN  12  10.103   5.920 -12.307
  101   HE22  GLN  12          HE22      GLN  12   8.913   4.684 -12.504
  102    H    LYS  13           H        LYS  13   9.323  10.780 -11.855
  103    HA   LYS  13           HA       LYS  13  11.726  10.227 -13.228
  104    HB2  LYS  13           HB2      LYS  13   9.615  12.348 -13.520
  105    HB3  LYS  13           HB3      LYS  13  11.053  12.355 -14.531
  106    HG2  LYS  13           HG2      LYS  13   9.323   9.919 -14.319
  107    HG3  LYS  13           HG3      LYS  13   8.928  11.237 -15.428
  108    HD2  LYS  13           HD2      LYS  13  10.556  10.662 -16.859
  109    HD3  LYS  13           HD3      LYS  13  11.723  10.393 -15.563
  110    HE2  LYS  13           HE2      LYS  13   9.557   8.404 -15.791
  111    HE3  LYS  13           HE3      LYS  13  10.721   8.431 -17.114
  112    HZ1  LYS  13           HZ1      LYS  13  11.163   7.824 -14.269
  113    HZ2  LYS  13           HZ2      LYS  13  12.440   8.420 -15.206
  114    HZ3  LYS  13           HZ3      LYS  13  11.679   6.972 -15.638
  115    H    ARG  14           H        ARG  14  10.882  12.567 -10.805
  116    HA   ARG  14           HA       ARG  14  13.301  14.122 -11.258
  117    HB2  ARG  14           HB2      ARG  14  10.900  14.964 -10.520
  118    HB3  ARG  14           HB3      ARG  14  11.512  14.585  -8.916
  119    HG2  ARG  14           HG2      ARG  14  13.414  16.081  -9.291
  120    HG3  ARG  14           HG3      ARG  14  12.780  16.473 -10.890
  121    HD2  ARG  14           HD2      ARG  14  10.615  16.955  -9.317
  122    HD3  ARG  14           HD3      ARG  14  11.935  17.404  -8.239
  123    HE   ARG  14           HE       ARG  14  11.073  18.798 -10.597
  124   HH11  ARG  14          HH11      ARG  14  14.564  19.672  -8.843
  125   HH12  ARG  14          HH12      ARG  14  13.753  18.192  -8.457
  126   HH21  ARG  14          HH21      ARG  14  13.642  21.127 -10.353
  127   HH22  ARG  14          HH22      ARG  14  12.134  20.750 -11.113
  128    H    MK8  15           H2       MK8  15  12.270  11.406  -9.284
  129    HB   MK8  15           HB       MK8  15  12.418   9.734  -6.855
  130    HBA  MK8  15           HBA      MK8  15  12.807   9.253  -8.463
  131    HD   MK8  15           HD       MK8  15  15.754   9.759  -6.070
  132    HDA  MK8  15           HDA      MK8  15  14.534   9.136  -4.986
  133    HE   MK8  15           HE       MK8  15  15.699   7.054  -4.754
  134    HG   MK8  15           HG       MK8  15  13.624   7.667  -6.767
  135    HGA  MK8  15           HGA      MK8  15  14.853   8.192  -7.877
  136    HB1  MK8  15           HB1      MK8  15  13.849  12.939  -6.654
  137   HB1A  MK8  15          HB1A      MK8  15  12.853  11.694  -5.996
  138   HB1B  MK8  15          HB1B      MK8  15  14.602  11.585  -5.834
  139    H    ALA  16           H        ALA  16  14.485   9.741  -9.871
  140    HA   ALA  16           HA       ALA  16  17.144   9.180  -9.696
  141    HB1  ALA  16           HB1      ALA  16  15.169   9.118 -11.747
  142    HB2  ALA  16           HB2      ALA  16  16.675   9.734 -12.428
  143    HB3  ALA  16           HB3      ALA  16  16.651   8.172 -11.608
  144    H    TYR  17           H        TYR  17  15.699  12.128 -11.026
  145    HA   TYR  17           HA       TYR  17  18.127  13.296 -11.887
  146    HB2  TYR  17           HB2      TYR  17  15.732  13.938 -12.542
  147    HB3  TYR  17           HB3      TYR  17  15.689  14.851 -11.037
  148    HD1  TYR  17           HD1      TYR  17  16.344  15.066 -14.458
  149    HD2  TYR  17           HD2      TYR  17  17.798  16.458 -10.709
  150    HE1  TYR  17           HE1      TYR  17  17.418  16.968 -15.588
  151    HE2  TYR  17           HE2      TYR  17  18.876  18.366 -11.829
  152    HH   TYR  17           HH       TYR  17  18.507  18.898 -15.314
  153    H    SER  18           H        SER  18  16.207  13.688  -8.926
  154    HA   SER  18           HA       SER  18  17.749  15.652  -7.696
  155    HB2  SER  18           HB2      SER  18  15.589  13.949  -6.966
  156    HB3  SER  18           HB3      SER  18  16.808  13.838  -5.696
  157    HG   SER  18           HG       SER  18  15.974  15.655  -5.052
  158    H    MK8  19           H2       MK8  19  18.199  12.126  -7.821
  159    HB   MK8  19           HB       MK8  19  19.466  10.218  -8.375
  160    HBA  MK8  19           HBA      MK8  19  20.776   9.721  -7.344
  161    HD   MK8  19           HD       MK8  19  17.345   8.767  -7.712
  162    HDA  MK8  19           HDA      MK8  19  18.763   7.753  -7.530
  163    HE   MK8  19           HE       MK8  19  17.896   6.717  -5.568
  164    HG   MK8  19           HG       MK8  19  19.364   9.255  -5.496
  165    HGA  MK8  19           HGA      MK8  19  18.077  10.315  -6.047
  166    HB1  MK8  19           HB1      MK8  19  20.799  12.775  -5.170
  167   HB1A  MK8  19          HB1A      MK8  19  19.593  11.573  -4.854
  168   HB1B  MK8  19          HB1B      MK8  19  21.257  11.089  -5.237
  169    H    LEU  20           H        LEU  20  20.205  12.506  -9.395
  170    HA   LEU  20           HA       LEU  20  22.843  12.772 -10.148
  171    HB2  LEU  20           HB2      LEU  20  20.518  12.999 -11.435
  172    HB3  LEU  20           HB3      LEU  20  20.910  14.712 -11.287
  173    HG   LEU  20           HG       LEU  20  21.625  13.882 -13.439
  174   HD11  LEU  20          HD11      LEU  20  23.003  15.564 -12.192
  175   HD12  LEU  20          HD12      LEU  20  23.872  14.648 -13.424
  176   HD13  LEU  20          HD13      LEU  20  24.069  14.240 -11.721
  177   HD21  LEU  20          HD21      LEU  20  22.806  11.979 -13.807
  178   HD22  LEU  20          HD22      LEU  20  22.011  11.502 -12.307
  179   HD23  LEU  20          HD23      LEU  20  23.675  12.087 -12.277
  180    H    GLY  21           H        GLY  21  20.666  15.373  -9.040
  181    HA2  GLY  21           HA2      GLY  21  22.723  17.352  -9.034
  182    HA3  GLY  21           HA3      GLY  21  21.132  17.506  -8.305
  183    H    LEU  22           H        LEU  22  22.217  14.762  -7.007
  184    HA   LEU  22           HA       LEU  22  23.657  16.112  -4.821
  185    HB2  LEU  22           HB2      LEU  22  21.108  14.999  -4.691
  186    HB3  LEU  22           HB3      LEU  22  22.160  13.793  -3.954
  187    HG   LEU  22           HG       LEU  22  21.176  15.295  -2.292
  188   HD11  LEU  22          HD11      LEU  22  23.498  14.296  -2.079
  189   HD12  LEU  22          HD12      LEU  22  23.136  15.683  -1.052
  190   HD13  LEU  22          HD13      LEU  22  24.111  15.895  -2.506
  191   HD21  LEU  22          HD21      LEU  22  21.052  17.500  -2.553
  192   HD22  LEU  22          HD22      LEU  22  21.655  17.269  -4.194
  193   HD23  LEU  22          HD23      LEU  22  22.780  17.623  -2.881
  194    H    LYS  23           H        LYS  23  24.646  14.583  -7.128
  195    HA   LYS  23           HA       LYS  23  26.160  12.573  -5.620
  196    HB2  LYS  23           HB2      LYS  23  24.542  12.156  -8.087
  197    HB3  LYS  23           HB3      LYS  23  26.072  11.301  -7.957
  198    HG2  LYS  23           HG2      LYS  23  25.093  10.687  -5.570
  199    HG3  LYS  23           HG3      LYS  23  23.567  10.958  -6.417
  200    HD2  LYS  23           HD2      LYS  23  23.906   9.200  -7.868
  201    HD3  LYS  23           HD3      LYS  23  25.662   9.257  -7.693
  202    HE2  LYS  23           HE2      LYS  23  25.628   8.102  -5.685
  203    HE3  LYS  23           HE3      LYS  23  23.949   8.526  -5.355
  204    HZ1  LYS  23           HZ1      LYS  23  23.591   6.430  -6.039
  205    HZ2  LYS  23           HZ2      LYS  23  25.033   6.335  -6.916
  206    HZ3  LYS  23           HZ3      LYS  23  23.681   7.101  -7.590
  207    H    ASP  24           H        ASP  24  25.910  14.452  -8.618
  208    HA   ASP  24           HA       ASP  24  28.673  14.129  -9.288
  209    HB2  ASP  24           HB2      ASP  24  26.610  14.716 -10.810
  210    HB3  ASP  24           HB3      ASP  24  27.012  16.373 -10.366
  211    H    GLN  25           H        GLN  25  26.796  16.461  -7.492
  212    HA   GLN  25           HA       GLN  25  28.845  18.459  -7.405
  213    HB2  GLN  25           HB2      GLN  25  26.290  18.057  -5.859
  214    HB3  GLN  25           HB3      GLN  25  27.383  19.397  -5.539
  215    HG2  GLN  25           HG2      GLN  25  26.283  18.884  -8.279
  216    HG3  GLN  25           HG3      GLN  25  25.390  19.814  -7.075
  217   HE21  GLN  25          HE21      GLN  25  25.539  21.583  -8.557
  218   HE22  GLN  25          HE22      GLN  25  26.981  22.531  -8.638
  219    H    VAL  26           H        VAL  26  27.624  16.040  -5.107
  220    HA   VAL  26           HA       VAL  26  29.338  16.671  -2.980
  221    HB   VAL  26           HB       VAL  26  28.210  13.951  -3.656
  222   HG11  VAL  26          HG11      VAL  26  28.271  13.904  -1.034
  223   HG12  VAL  26          HG12      VAL  26  29.712  13.510  -1.973
  224   HG13  VAL  26          HG13      VAL  26  29.538  15.111  -1.253
  225   HG21  VAL  26          HG21      VAL  26  27.028  16.186  -2.009
  226   HG22  VAL  26          HG22      VAL  26  26.447  15.630  -3.580
  227   HG23  VAL  26          HG23      VAL  26  26.351  14.566  -2.177
  228    HN1  NH2  27           HN1      NH2  27  29.800  14.706  -5.860
  229    HN2  NH2  27           HN2      NH2  27  31.457  14.294  -5.567
  Start of MODEL   15
    1    H1   ACE   1           H1       ACE   1  17.671  28.601  11.591
    2    H2   ACE   1           H2       ACE   1  17.598  30.231  10.880
    3    H3   ACE   1           H3       ACE   1  16.147  29.200  10.894
    4    H    LYS   2           H        LYS   2  15.817  29.136   8.756
    5    HA   LYS   2           HA       LYS   2  17.458  27.302   7.261
    6    HB2  LYS   2           HB2      LYS   2  14.765  28.153   7.191
    7    HB3  LYS   2           HB3      LYS   2  15.469  28.598   5.642
    8    HG2  LYS   2           HG2      LYS   2  15.818  26.430   5.018
    9    HG3  LYS   2           HG3      LYS   2  15.966  25.859   6.681
   10    HD2  LYS   2           HD2      LYS   2  13.338  26.924   6.238
   11    HD3  LYS   2           HD3      LYS   2  13.715  25.719   5.005
   12    HE2  LYS   2           HE2      LYS   2  13.827  24.014   6.511
   13    HE3  LYS   2           HE3      LYS   2  14.403  25.057   7.812
   14    HZ1  LYS   2           HZ1      LYS   2  11.648  25.346   6.815
   15    HZ2  LYS   2           HZ2      LYS   2  12.278  25.717   8.340
   16    HZ3  LYS   2           HZ3      LYS   2  12.018  24.103   7.900
   17    H    ARG   3           H        ARG   3  18.667  27.725   5.435
   18    HA   ARG   3           HA       ARG   3  19.410  30.539   5.068
   19    HB2  ARG   3           HB2      ARG   3  20.834  27.950   4.502
   20    HB3  ARG   3           HB3      ARG   3  21.376  29.469   3.803
   21    HG2  ARG   3           HG2      ARG   3  21.388  30.330   6.230
   22    HG3  ARG   3           HG3      ARG   3  21.345  28.621   6.670
   23    HD2  ARG   3           HD2      ARG   3  23.523  28.426   6.278
   24    HD3  ARG   3           HD3      ARG   3  23.311  29.029   4.634
   25    HE   ARG   3           HE       ARG   3  24.117  31.055   5.316
   26   HH11  ARG   3          HH11      ARG   3  23.838  30.346   9.246
   27   HH12  ARG   3          HH12      ARG   3  23.183  29.210   8.115
   28   HH21  ARG   3          HH21      ARG   3  24.860  32.253   8.493
   29   HH22  ARG   3          HH22      ARG   3  24.983  32.561   6.794
   30    H    ILE   4           H        ILE   4  17.025  29.953   3.926
   31    HA   ILE   4           HA       ILE   4  15.854  30.044   1.976
   32    HB   ILE   4           HB       ILE   4  18.498  30.981   0.857
   33   HG12  ILE   4          HG12      ILE   4  17.619  32.355   2.723
   34   HG13  ILE   4          HG13      ILE   4  17.626  33.228   1.193
   35   HG21  ILE   4          HG21      ILE   4  17.288  30.440  -1.033
   36   HG22  ILE   4          HG22      ILE   4  15.743  30.846  -0.289
   37   HG23  ILE   4          HG23      ILE   4  16.844  32.129  -0.788
   38   HD11  ILE   4          HD11      ILE   4  15.475  32.807   2.968
   39   HD12  ILE   4          HD12      ILE   4  15.475  33.662   1.424
   40   HD13  ILE   4          HD13      ILE   4  15.113  31.936   1.478
   41    H    GLY   5           H        GLY   5  15.531  27.782   1.875
   42    HA2  GLY   5           HA2      GLY   5  16.170  26.555  -0.527
   43    HA3  GLY   5           HA3      GLY   5  17.375  26.012   0.632
   44    H    VAL   6           H        VAL   6  14.377  25.383  -0.677
   45    HA   VAL   6           HA       VAL   6  13.954  23.089   0.909
   46    HB   VAL   6           HB       VAL   6  13.210  24.622   2.625
   47   HG11  VAL   6          HG11      VAL   6  12.285  26.155   0.479
   48   HG12  VAL   6          HG12      VAL   6  10.842  25.674   1.372
   49   HG13  VAL   6          HG13      VAL   6  12.147  26.527   2.197
   50   HG21  VAL   6          HG21      VAL   6  11.367  23.436   3.204
   51   HG22  VAL   6          HG22      VAL   6  10.590  23.667   1.637
   52   HG23  VAL   6          HG23      VAL   6  11.859  22.456   1.821
   53    H    ARG   7           H        ARG   7  12.742  21.679  -0.207
   54    HA   ARG   7           HA       ARG   7  10.752  22.651  -2.108
   55    HB2  ARG   7           HB2      ARG   7  13.236  21.135  -2.834
   56    HB3  ARG   7           HB3      ARG   7  11.767  20.923  -3.777
   57    HG2  ARG   7           HG2      ARG   7  12.301  22.718  -4.948
   58    HG3  ARG   7           HG3      ARG   7  12.129  23.694  -3.487
   59    HD2  ARG   7           HD2      ARG   7  14.459  23.314  -2.929
   60    HD3  ARG   7           HD3      ARG   7  14.644  22.256  -4.328
   61    HE   ARG   7           HE       ARG   7  14.810  24.107  -5.673
   62   HH11  ARG   7          HH11      ARG   7  13.803  26.752  -2.840
   63   HH12  ARG   7          HH12      ARG   7  13.648  25.055  -2.531
   64   HH21  ARG   7          HH21      ARG   7  14.584  27.482  -4.868
   65   HH22  ARG   7          HH22      ARG   7  15.019  26.339  -6.094
   66    H    LEU   8           H        LEU   8   9.511  20.787  -3.076
   67    HA   LEU   8           HA       LEU   8   8.526  19.140  -1.006
   68    HB2  LEU   8           HB2      LEU   8   8.011  19.511  -3.885
   69    HB3  LEU   8           HB3      LEU   8   7.569  17.938  -3.224
   70    HG   LEU   8           HG       LEU   8   6.407  19.564  -1.410
   71   HD11  LEU   8          HD11      LEU   8   7.216  21.484  -2.973
   72   HD12  LEU   8          HD12      LEU   8   5.592  21.529  -2.288
   73   HD13  LEU   8          HD13      LEU   8   5.830  21.010  -3.956
   74   HD21  LEU   8          HD21      LEU   8   5.436  17.675  -2.742
   75   HD22  LEU   8          HD22      LEU   8   5.119  18.833  -4.034
   76   HD23  LEU   8          HD23      LEU   8   4.339  19.027  -2.464
   77    HA   PRO   9           HA       PRO   9  10.972  15.501  -1.172
   78    HB2  PRO   9           HB2      PRO   9   9.122  13.535  -0.881
   79    HB3  PRO   9           HB3      PRO   9   9.594  14.613   0.438
   80    HG2  PRO   9           HG2      PRO   9   7.199  14.747  -1.353
   81    HG3  PRO   9           HG3      PRO   9   7.300  14.999   0.399
   82    HD2  PRO   9           HD2      PRO   9   7.182  17.052  -1.363
   83    HD3  PRO   9           HD3      PRO   9   8.070  17.159   0.171
   84    H    GLY  10           H        GLY  10  11.572  13.679  -2.438
   85    HA2  GLY  10           HA2      GLY  10  10.789  13.914  -5.208
   86    HA3  GLY  10           HA3      GLY  10  12.024  12.848  -4.557
   87    H    HIS  11           H        HIS  11   9.152  12.872  -6.106
   88    HA   HIS  11           HA       HIS  11   8.078  10.491  -4.793
   89    HB2  HIS  11           HB2      HIS  11   6.965  12.255  -6.980
   90    HB3  HIS  11           HB3      HIS  11   6.159  10.811  -6.376
   91    HD1  HIS  11           HD1      HIS  11   7.428  14.134  -5.035
   92    HD2  HIS  11           HD2      HIS  11   4.501  11.284  -4.286
   93    HE1  HIS  11           HE1      HIS  11   6.017  15.090  -3.186
   94    H    GLN  12           H        GLN  12   8.403  11.441  -8.213
   95    HA   GLN  12           HA       GLN  12   9.946   9.078  -8.814
   96    HB2  GLN  12           HB2      GLN  12   8.360   8.122 -10.393
   97    HB3  GLN  12           HB3      GLN  12   7.652   8.190  -8.785
   98    HG2  GLN  12           HG2      GLN  12   6.222   9.941  -9.356
   99    HG3  GLN  12           HG3      GLN  12   7.154  10.351 -10.795
  100   HE21  GLN  12          HE21      GLN  12   4.647   8.434  -9.481
  101   HE22  GLN  12          HE22      GLN  12   4.194   7.622 -10.937
  102    H    LYS  13           H        LYS  13  10.585   8.996 -11.107
  103    HA   LYS  13           HA       LYS  13  11.309   9.926 -13.062
  104    HB2  LYS  13           HB2      LYS  13   8.873  10.842 -13.034
  105    HB3  LYS  13           HB3      LYS  13   9.627  12.364 -12.577
  106    HG2  LYS  13           HG2      LYS  13  11.087  12.080 -14.639
  107    HG3  LYS  13           HG3      LYS  13   9.962  10.807 -15.119
  108    HD2  LYS  13           HD2      LYS  13   8.110  12.432 -14.972
  109    HD3  LYS  13           HD3      LYS  13   9.275  13.695 -14.571
  110    HE2  LYS  13           HE2      LYS  13   9.913  13.934 -16.705
  111    HE3  LYS  13           HE3      LYS  13   9.964  12.194 -16.979
  112    HZ1  LYS  13           HZ1      LYS  13   8.071  13.970 -17.911
  113    HZ2  LYS  13           HZ2      LYS  13   7.287  13.084 -16.702
  114    HZ3  LYS  13           HZ3      LYS  13   8.015  12.282 -18.001
  115    H    ARG  14           H        ARG  14  10.691  12.783 -11.019
  116    HA   ARG  14           HA       ARG  14  13.239  13.918 -11.629
  117    HB2  ARG  14           HB2      ARG  14  11.027  15.104 -10.960
  118    HB3  ARG  14           HB3      ARG  14  11.534  14.772  -9.308
  119    HG2  ARG  14           HG2      ARG  14  13.602  16.015  -9.688
  120    HG3  ARG  14           HG3      ARG  14  13.095  16.346 -11.346
  121    HD2  ARG  14           HD2      ARG  14  11.401  17.121  -8.992
  122    HD3  ARG  14           HD3      ARG  14  12.697  18.162  -9.580
  123    HE   ARG  14           HE       ARG  14  11.155  17.531 -11.782
  124   HH11  ARG  14          HH11      ARG  14   9.460  20.184  -9.309
  125   HH12  ARG  14          HH12      ARG  14  10.704  19.130  -8.722
  126   HH21  ARG  14          HH21      ARG  14   8.785  20.058 -11.494
  127   HH22  ARG  14          HH22      ARG  14   9.518  18.913 -12.565
  128    H    MK8  15           H2       MK8  15  12.247  11.503  -9.432
  129    HB   MK8  15           HB       MK8  15  12.174   9.913  -7.468
  130    HBA  MK8  15           HBA      MK8  15  13.100   9.236  -8.774
  131    HD   MK8  15           HD       MK8  15  14.584   7.159  -7.978
  132    HDA  MK8  15           HDA      MK8  15  15.674   8.516  -8.072
  133    HE   MK8  15           HE       MK8  15  15.370   6.757  -5.571
  134    HG   MK8  15           HG       MK8  15  14.338   9.432  -5.970
  135    HGA  MK8  15           HGA      MK8  15  13.188   8.184  -6.346
  136    HB1  MK8  15           HB1      MK8  15  14.525  11.600  -5.991
  137   HB1A  MK8  15          HB1A      MK8  15  13.940  13.024  -6.838
  138   HB1B  MK8  15          HB1B      MK8  15  12.794  11.832  -6.254
  139    H    ALA  16           H        ALA  16  14.491   9.997 -10.054
  140    HA   ALA  16           HA       ALA  16  17.129   9.343  -9.929
  141    HB1  ALA  16           HB1      ALA  16  16.978   8.753 -12.117
  142    HB2  ALA  16           HB2      ALA  16  15.261   8.979 -11.785
  143    HB3  ALA  16           HB3      ALA  16  16.179  10.256 -12.583
  144    H    TYR  17           H        TYR  17  15.842  12.321 -11.407
  145    HA   TYR  17           HA       TYR  17  18.351  13.446 -12.008
  146    HB2  TYR  17           HB2      TYR  17  16.062  14.124 -12.917
  147    HB3  TYR  17           HB3      TYR  17  15.856  15.035 -11.425
  148    HD1  TYR  17           HD1      TYR  17  16.865  15.269 -14.747
  149    HD2  TYR  17           HD2      TYR  17  17.950  16.612 -10.859
  150    HE1  TYR  17           HE1      TYR  17  18.071  17.165 -15.746
  151    HE2  TYR  17           HE2      TYR  17  19.158  18.513 -11.846
  152    HH   TYR  17           HH       TYR  17  19.992  18.692 -15.059
  153    H    SER  18           H        SER  18  16.240  13.726  -9.191
  154    HA   SER  18           HA       SER  18  17.668  15.746  -7.855
  155    HB2  SER  18           HB2      SER  18  15.321  14.721  -7.356
  156    HB3  SER  18           HB3      SER  18  16.225  13.573  -6.368
  157    HG   SER  18           HG       SER  18  16.507  16.379  -6.113
  158    H    MK8  19           H2       MK8  19  18.080  12.198  -7.927
  159    HB   MK8  19           HB       MK8  19  19.458  10.245  -8.369
  160    HBA  MK8  19           HBA      MK8  19  20.628   9.772  -7.173
  161    HD   MK8  19           HD       MK8  19  17.824   8.312  -8.083
  162    HDA  MK8  19           HDA      MK8  19  19.125   7.600  -7.164
  163    HE   MK8  19           HE       MK8  19  17.706   6.960  -5.326
  164    HG   MK8  19           HG       MK8  19  18.936   9.422  -5.469
  165    HGA  MK8  19           HGA      MK8  19  17.686  10.191  -6.429
  166    HB1  MK8  19           HB1      MK8  19  20.869  11.181  -5.037
  167   HB1A  MK8  19          HB1A      MK8  19  20.328  12.855  -5.021
  168   HB1B  MK8  19          HB1B      MK8  19  19.154  11.594  -4.858
  169    H    LEU  20           H        LEU  20  20.133  12.568  -9.272
  170    HA   LEU  20           HA       LEU  20  22.819  12.706  -9.864
  171    HB2  LEU  20           HB2      LEU  20  20.584  13.075 -11.279
  172    HB3  LEU  20           HB3      LEU  20  21.070  14.758 -11.095
  173    HG   LEU  20           HG       LEU  20  21.886  13.977 -13.194
  174   HD11  LEU  20          HD11      LEU  20  24.024  14.739 -13.028
  175   HD12  LEU  20          HD12      LEU  20  24.378  13.773 -11.596
  176   HD13  LEU  20          HD13      LEU  20  23.420  15.245 -11.450
  177   HD21  LEU  20          HD21      LEU  20  22.886  11.968 -13.602
  178   HD22  LEU  20          HD22      LEU  20  21.870  11.511 -12.235
  179   HD23  LEU  20          HD23      LEU  20  23.581  11.857 -11.985
  180    H    GLY  21           H        GLY  21  20.715  15.407  -8.857
  181    HA2  GLY  21           HA2      GLY  21  22.739  17.358  -8.779
  182    HA3  GLY  21           HA3      GLY  21  21.213  17.437  -7.913
  183    H    LEU  22           H        LEU  22  22.206  14.707  -6.729
  184    HA   LEU  22           HA       LEU  22  23.571  15.975  -4.470
  185    HB2  LEU  22           HB2      LEU  22  21.487  14.596  -4.161
  186    HB3  LEU  22           HB3      LEU  22  22.440  13.188  -4.625
  187    HG   LEU  22           HG       LEU  22  23.963  14.110  -2.617
  188   HD11  LEU  22          HD11      LEU  22  22.769  15.095  -0.886
  189   HD12  LEU  22          HD12      LEU  22  21.208  14.670  -1.587
  190   HD13  LEU  22          HD13      LEU  22  22.183  15.947  -2.316
  191   HD21  LEU  22          HD21      LEU  22  21.520  12.358  -2.389
  192   HD22  LEU  22          HD22      LEU  22  22.803  12.460  -1.184
  193   HD23  LEU  22          HD23      LEU  22  23.156  11.847  -2.800
  194    H    LYS  23           H        LYS  23  24.067  13.702  -7.034
  195    HA   LYS  23           HA       LYS  23  26.489  12.612  -5.869
  196    HB2  LYS  23           HB2      LYS  23  24.724  11.469  -7.483
  197    HB3  LYS  23           HB3      LYS  23  25.751  12.171  -8.728
  198    HG2  LYS  23           HG2      LYS  23  26.817  10.197  -8.538
  199    HG3  LYS  23           HG3      LYS  23  27.632  11.022  -7.208
  200    HD2  LYS  23           HD2      LYS  23  25.633  10.104  -5.798
  201    HD3  LYS  23           HD3      LYS  23  25.475   8.954  -7.128
  202    HE2  LYS  23           HE2      LYS  23  26.931   7.767  -5.865
  203    HE3  LYS  23           HE3      LYS  23  28.110   8.769  -6.709
  204    HZ1  LYS  23           HZ1      LYS  23  26.941   9.535  -4.098
  205    HZ2  LYS  23           HZ2      LYS  23  28.296  10.194  -4.863
  206    HZ3  LYS  23           HZ3      LYS  23  28.363   8.628  -4.230
  207    H    ASP  24           H        ASP  24  25.561  14.805  -8.478
  208    HA   ASP  24           HA       ASP  24  28.176  15.209  -9.492
  209    HB2  ASP  24           HB2      ASP  24  25.797  15.803 -10.482
  210    HB3  ASP  24           HB3      ASP  24  26.100  17.348  -9.695
  211    H    GLN  25           H        GLN  25  26.327  16.701  -6.922
  212    HA   GLN  25           HA       GLN  25  28.108  18.914  -6.561
  213    HB2  GLN  25           HB2      GLN  25  25.589  18.571  -5.830
  214    HB3  GLN  25           HB3      GLN  25  26.333  17.952  -4.362
  215    HG2  GLN  25           HG2      GLN  25  27.396  20.516  -5.319
  216    HG3  GLN  25           HG3      GLN  25  25.715  20.543  -4.792
  217   HE21  GLN  25          HE21      GLN  25  28.884  20.782  -3.819
  218   HE22  GLN  25          HE22      GLN  25  28.665  20.558  -2.121
  219    H    VAL  26           H        VAL  26  27.696  15.744  -5.067
  220    HA   VAL  26           HA       VAL  26  30.178  16.207  -3.546
  221    HB   VAL  26           HB       VAL  26  27.931  14.290  -2.908
  222   HG11  VAL  26          HG11      VAL  26  30.563  14.838  -1.561
  223   HG12  VAL  26          HG12      VAL  26  29.213  14.056  -0.739
  224   HG13  VAL  26          HG13      VAL  26  29.941  13.299  -2.156
  225   HG21  VAL  26          HG21      VAL  26  27.485  16.743  -2.543
  226   HG22  VAL  26          HG22      VAL  26  27.356  15.729  -1.107
  227   HG23  VAL  26          HG23      VAL  26  28.790  16.724  -1.357
  228    HN1  NH2  27           HN1      NH2  27  31.640  15.508  -5.097
  229    HN2  NH2  27           HN2      NH2  27  31.730  13.865  -5.636
  Start of MODEL   16
    1    H1   ACE   1           H1       ACE   1   7.183  15.105 -18.589
    2    H2   ACE   1           H2       ACE   1   5.757  15.234 -17.531
    3    H3   ACE   1           H3       ACE   1   5.822  16.157 -19.051
    4    H    LYS   2           H        LYS   2   6.620  18.112 -19.040
    5    HA   LYS   2           HA       LYS   2   8.596  19.033 -17.208
    6    HB2  LYS   2           HB2      LYS   2   7.695  19.893 -19.630
    7    HB3  LYS   2           HB3      LYS   2   6.931  21.059 -18.557
    8    HG2  LYS   2           HG2      LYS   2   8.829  22.182 -18.403
    9    HG3  LYS   2           HG3      LYS   2   9.641  20.755 -17.756
   10    HD2  LYS   2           HD2      LYS   2  10.836  21.445 -19.704
   11    HD3  LYS   2           HD3      LYS   2   9.955  19.972 -20.115
   12    HE2  LYS   2           HE2      LYS   2   8.386  21.125 -21.396
   13    HE3  LYS   2           HE3      LYS   2   8.770  22.672 -20.643
   14    HZ1  LYS   2           HZ1      LYS   2  10.699  22.888 -21.881
   15    HZ2  LYS   2           HZ2      LYS   2   9.619  22.222 -22.999
   16    HZ3  LYS   2           HZ3      LYS   2  10.780  21.240 -22.259
   17    H    ARG   3           H        ARG   3   8.161  21.158 -15.970
   18    HA   ARG   3           HA       ARG   3   5.911  20.640 -14.190
   19    HB2  ARG   3           HB2      ARG   3   8.159  22.641 -13.898
   20    HB3  ARG   3           HB3      ARG   3   7.002  22.179 -12.657
   21    HG2  ARG   3           HG2      ARG   3   7.924  20.000 -12.485
   22    HG3  ARG   3           HG3      ARG   3   8.914  20.240 -13.925
   23    HD2  ARG   3           HD2      ARG   3  10.451  21.516 -12.824
   24    HD3  ARG   3           HD3      ARG   3   9.266  22.147 -11.682
   25    HE   ARG   3           HE       ARG   3  10.914  19.840 -11.347
   26   HH11  ARG   3          HH11      ARG   3   7.668  20.333  -9.057
   27   HH12  ARG   3          HH12      ARG   3   7.837  21.242 -10.521
   28   HH21  ARG   3          HH21      ARG   3   9.299  18.852  -8.432
   29   HH22  ARG   3          HH22      ARG   3  10.704  18.636  -9.420
   30    H    ILE   4           H        ILE   4   4.219  21.375 -15.546
   31    HA   ILE   4           HA       ILE   4   3.533  24.094 -15.185
   32    HB   ILE   4           HB       ILE   4   5.104  24.520 -16.979
   33   HG12  ILE   4          HG12      ILE   4   2.543  24.716 -18.469
   34   HG13  ILE   4          HG13      ILE   4   2.584  25.458 -16.874
   35   HG21  ILE   4          HG21      ILE   4   4.959  22.197 -17.927
   36   HG22  ILE   4          HG22      ILE   4   3.474  22.698 -18.734
   37   HG23  ILE   4          HG23      ILE   4   5.000  23.496 -19.120
   38   HD11  ILE   4          HD11      ILE   4   3.143  27.140 -18.426
   39   HD12  ILE   4          HD12      ILE   4   4.648  26.682 -17.629
   40   HD13  ILE   4          HD13      ILE   4   4.296  26.095 -19.254
   41    H    GLY   5           H        GLY   5   3.033  21.122 -17.017
   42    HA2  GLY   5           HA2      GLY   5   0.209  21.734 -17.402
   43    HA3  GLY   5           HA3      GLY   5   1.064  20.330 -18.021
   44    H    VAL   6           H        VAL   6  -0.961  19.279 -17.234
   45    HA   VAL   6           HA       VAL   6  -1.726  19.087 -14.581
   46    HB   VAL   6           HB       VAL   6  -2.576  16.786 -15.187
   47   HG11  VAL   6          HG11      VAL   6  -3.706  19.090 -15.589
   48   HG12  VAL   6          HG12      VAL   6  -3.398  18.743 -17.292
   49   HG13  VAL   6          HG13      VAL   6  -4.390  17.644 -16.332
   50   HG21  VAL   6          HG21      VAL   6  -1.763  17.434 -17.996
   51   HG22  VAL   6          HG22      VAL   6  -0.689  16.525 -16.934
   52   HG23  VAL   6          HG23      VAL   6  -2.292  15.895 -17.317
   53    H    ARG   7           H        ARG   7  -1.532  17.030 -13.232
   54    HA   ARG   7           HA       ARG   7   1.305  16.504 -12.849
   55    HB2  ARG   7           HB2      ARG   7  -0.728  16.971 -11.084
   56    HB3  ARG   7           HB3      ARG   7  -0.615  15.217 -11.031
   57    HG2  ARG   7           HG2      ARG   7   0.973  15.539  -9.505
   58    HG3  ARG   7           HG3      ARG   7   2.008  15.977 -10.866
   59    HD2  ARG   7           HD2      ARG   7   0.278  18.104  -9.746
   60    HD3  ARG   7           HD3      ARG   7   1.631  17.568  -8.751
   61    HE   ARG   7           HE       ARG   7   2.647  18.019 -11.283
   62   HH11  ARG   7          HH11      ARG   7   1.862  21.349  -9.206
   63   HH12  ARG   7          HH12      ARG   7   1.075  19.865  -8.785
   64   HH21  ARG   7          HH21      ARG   7   3.347  21.407 -10.950
   65   HH22  ARG   7          HH22      ARG   7   3.689  19.967 -11.847
   66    H    LEU   8           H        LEU   8   2.126  14.897 -14.028
   67    HA   LEU   8           HA       LEU   8   0.676  12.779 -15.152
   68    HB2  LEU   8           HB2      LEU   8   3.583  13.263 -14.639
   69    HB3  LEU   8           HB3      LEU   8   3.039  11.711 -15.271
   70    HG   LEU   8           HG       LEU   8   3.816  13.121 -17.074
   71   HD11  LEU   8          HD11      LEU   8   1.902  13.005 -18.520
   72   HD12  LEU   8          HD12      LEU   8   0.808  12.959 -17.137
   73   HD13  LEU   8          HD13      LEU   8   1.894  11.604 -17.447
   74   HD21  LEU   8          HD21      LEU   8   1.690  15.081 -16.214
   75   HD22  LEU   8          HD22      LEU   8   2.752  15.234 -17.614
   76   HD23  LEU   8          HD23      LEU   8   3.426  15.290 -15.983
   77    HA   PRO   9           HA       PRO   9   0.237   9.786 -11.974
   78    HB2  PRO   9           HB2      PRO   9   0.624   7.466 -13.331
   79    HB3  PRO   9           HB3      PRO   9  -0.828   8.457 -13.517
   80    HG2  PRO   9           HG2      PRO   9   1.600   8.310 -15.261
   81    HG3  PRO   9           HG3      PRO   9  -0.110   8.372 -15.727
   82    HD2  PRO   9           HD2      PRO   9   1.500  10.549 -15.797
   83    HD3  PRO   9           HD3      PRO   9  -0.234  10.655 -15.437
   84    H    GLY  10           H        GLY  10   3.187   9.870 -13.819
   85    HA2  GLY  10           HA2      GLY  10   4.589   7.971 -12.164
   86    HA3  GLY  10           HA3      GLY  10   5.292   8.989 -13.412
   87    H    HIS  11           H        HIS  11   5.043   8.453 -10.114
   88    HA   HIS  11           HA       HIS  11   5.961  11.182  -9.498
   89    HB2  HIS  11           HB2      HIS  11   4.681   9.115  -7.700
   90    HB3  HIS  11           HB3      HIS  11   5.310  10.664  -7.146
   91    HD1  HIS  11           HD1      HIS  11   3.133   9.963 -10.179
   92    HD2  HIS  11           HD2      HIS  11   3.045  12.051  -6.589
   93    HE1  HIS  11           HE1      HIS  11   0.983  11.267 -10.213
   94    H    GLN  12           H        GLN  12   7.727   9.304 -10.620
   95    HA   GLN  12           HA       GLN  12   9.742   9.246  -8.547
   96    HB2  GLN  12           HB2      GLN  12  10.260   6.862  -8.829
   97    HB3  GLN  12           HB3      GLN  12   8.639   7.099  -8.189
   98    HG2  GLN  12           HG2      GLN  12   7.964   6.952 -10.720
   99    HG3  GLN  12           HG3      GLN  12   9.501   6.099 -10.851
  100   HE21  GLN  12          HE21      GLN  12   6.240   5.847 -10.091
  101   HE22  GLN  12          HE22      GLN  12   6.257   4.260  -9.412
  102    H    LYS  13           H        LYS  13   9.300  10.575 -11.112
  103    HA   LYS  13           HA       LYS  13  11.321   9.384 -12.851
  104    HB2  LYS  13           HB2      LYS  13   8.991  10.964 -13.272
  105    HB3  LYS  13           HB3      LYS  13  10.374  11.884 -13.852
  106    HG2  LYS  13           HG2      LYS  13  10.129  10.732 -15.741
  107    HG3  LYS  13           HG3      LYS  13  10.860   9.385 -14.865
  108    HD2  LYS  13           HD2      LYS  13   8.864   8.307 -14.582
  109    HD3  LYS  13           HD3      LYS  13   7.931   9.807 -14.581
  110    HE2  LYS  13           HE2      LYS  13   9.313   9.019 -17.091
  111    HE3  LYS  13           HE3      LYS  13   7.875   8.115 -16.622
  112    HZ1  LYS  13           HZ1      LYS  13   7.343   9.987 -18.066
  113    HZ2  LYS  13           HZ2      LYS  13   8.013  11.064 -16.948
  114    HZ3  LYS  13           HZ3      LYS  13   6.633  10.174 -16.542
  115    H    ARG  14           H        ARG  14  10.638  12.617 -11.499
  116    HA   ARG  14           HA       ARG  14  13.254  13.597 -12.036
  117    HB2  ARG  14           HB2      ARG  14  10.818  14.705 -11.276
  118    HB3  ARG  14           HB3      ARG  14  11.865  14.987  -9.892
  119    HG2  ARG  14           HG2      ARG  14  13.497  16.080 -11.342
  120    HG3  ARG  14           HG3      ARG  14  12.452  15.791 -12.735
  121    HD2  ARG  14           HD2      ARG  14  10.907  17.046 -10.705
  122    HD3  ARG  14           HD3      ARG  14  12.405  17.955 -10.895
  123    HE   ARG  14           HE       ARG  14  10.248  17.742 -12.790
  124   HH11  ARG  14          HH11      ARG  14  13.762  19.377 -13.794
  125   HH12  ARG  14          HH12      ARG  14  13.634  18.427 -12.351
  126   HH21  ARG  14          HH21      ARG  14  11.924  19.699 -15.125
  127   HH22  ARG  14          HH22      ARG  14  10.405  18.991 -14.693
  128    H    MK8  15           H2       MK8  15  12.048  11.499  -9.558
  129    HB   MK8  15           HB       MK8  15  12.009  10.097  -7.298
  130    HBA  MK8  15           HBA      MK8  15  12.908   9.355  -8.594
  131    HD   MK8  15           HD       MK8  15  14.432   7.384  -7.720
  132    HDA  MK8  15           HDA      MK8  15  15.540   8.703  -7.981
  133    HE   MK8  15           HE       MK8  15  15.337   7.179  -5.325
  134    HG   MK8  15           HG       MK8  15  14.338   9.851  -5.933
  135    HGA  MK8  15           HGA      MK8  15  13.174   8.562  -6.049
  136    HB1  MK8  15           HB1      MK8  15  12.405  12.376  -6.509
  137   HB1A  MK8  15          HB1A      MK8  15  14.054  12.007  -6.003
  138   HB1B  MK8  15          HB1B      MK8  15  13.750  13.347  -7.095
  139    H    ALA  16           H        ALA  16  14.344  10.208 -10.075
  140    HA   ALA  16           HA       ALA  16  16.969   9.535  -9.660
  141    HB1  ALA  16           HB1      ALA  16  16.443  10.350 -12.419
  142    HB2  ALA  16           HB2      ALA  16  16.908   8.779 -11.766
  143    HB3  ALA  16           HB3      ALA  16  15.216   9.282 -11.739
  144    H    TYR  17           H        TYR  17  15.732  12.540 -11.094
  145    HA   TYR  17           HA       TYR  17  18.183  13.707 -11.736
  146    HB2  TYR  17           HB2      TYR  17  15.571  14.442 -12.006
  147    HB3  TYR  17           HB3      TYR  17  16.114  15.565 -10.763
  148    HD1  TYR  17           HD1      TYR  17  17.165  17.534 -11.395
  149    HD2  TYR  17           HD2      TYR  17  17.085  14.273 -14.126
  150    HE1  TYR  17           HE1      TYR  17  18.174  18.963 -13.123
  151    HE2  TYR  17           HE2      TYR  17  18.094  15.693 -15.861
  152    HH   TYR  17           HH       TYR  17  18.310  18.068 -16.401
  153    H    SER  18           H        SER  18  16.274  13.913  -8.752
  154    HA   SER  18           HA       SER  18  17.849  15.731  -7.361
  155    HB2  SER  18           HB2      SER  18  15.573  14.608  -6.735
  156    HB3  SER  18           HB3      SER  18  16.589  13.403  -5.943
  157    HG   SER  18           HG       SER  18  15.864  15.756  -5.011
  158    H    MK8  19           H2       MK8  19  18.290  12.237  -7.852
  159    HB   MK8  19           HB       MK8  19  19.664  10.221  -8.495
  160    HBA  MK8  19           HBA      MK8  19  20.773   9.687  -7.278
  161    HD   MK8  19           HD       MK8  19  17.734   8.406  -8.082
  162    HDA  MK8  19           HDA      MK8  19  19.023   7.630  -7.199
  163    HE   MK8  19           HE       MK8  19  17.675   7.271  -5.225
  164    HG   MK8  19           HG       MK8  19  19.029   9.542  -5.572
  165    HGA  MK8  19           HGA      MK8  19  17.858  10.373  -6.573
  166    HB1  MK8  19           HB1      MK8  19  20.962  12.671  -5.193
  167   HB1A  MK8  19          HB1A      MK8  19  19.681  11.540  -4.898
  168   HB1B  MK8  19          HB1B      MK8  19  21.311  10.965  -5.317
  169    H    LEU  20           H        LEU  20  20.232  12.693  -9.375
  170    HA   LEU  20           HA       LEU  20  22.846  12.959 -10.193
  171    HB2  LEU  20           HB2      LEU  20  20.533  13.307 -11.414
  172    HB3  LEU  20           HB3      LEU  20  20.877  15.004 -11.084
  173    HG   LEU  20           HG       LEU  20  21.626  14.597 -13.281
  174   HD11  LEU  20          HD11      LEU  20  23.919  15.141 -13.175
  175   HD12  LEU  20          HD12      LEU  20  24.122  14.314 -11.631
  176   HD13  LEU  20          HD13      LEU  20  23.192  15.810 -11.713
  177   HD21  LEU  20          HD21      LEU  20  22.291  11.981 -12.211
  178   HD22  LEU  20          HD22      LEU  20  23.578  12.646 -13.217
  179   HD23  LEU  20          HD23      LEU  20  21.949  12.472 -13.870
  180    H    GLY  21           H        GLY  21  20.779  15.551  -8.867
  181    HA2  GLY  21           HA2      GLY  21  22.874  17.467  -8.764
  182    HA3  GLY  21           HA3      GLY  21  21.325  17.586  -7.944
  183    H    LEU  22           H        LEU  22  22.343  14.743  -6.891
  184    HA   LEU  22           HA       LEU  22  23.993  15.861  -4.724
  185    HB2  LEU  22           HB2      LEU  22  21.394  15.019  -4.449
  186    HB3  LEU  22           HB3      LEU  22  22.314  13.593  -3.973
  187    HG   LEU  22           HG       LEU  22  23.580  15.423  -2.489
  188   HD11  LEU  22          HD11      LEU  22  21.276  16.641  -1.619
  189   HD12  LEU  22          HD12      LEU  22  21.125  16.710  -3.375
  190   HD13  LEU  22          HD13      LEU  22  22.544  17.394  -2.585
  191   HD21  LEU  22          HD21      LEU  22  22.494  14.504  -0.665
  192   HD22  LEU  22          HD22      LEU  22  22.245  13.278  -1.908
  193   HD23  LEU  22          HD23      LEU  22  20.947  14.402  -1.505
  194    H    LYS  23           H        LYS  23  24.872  14.508  -7.101
  195    HA   LYS  23           HA       LYS  23  26.204  12.223  -5.833
  196    HB2  LYS  23           HB2      LYS  23  24.346  11.382  -7.255
  197    HB3  LYS  23           HB3      LYS  23  25.081  12.177  -8.639
  198    HG2  LYS  23           HG2      LYS  23  27.020  10.758  -8.486
  199    HG3  LYS  23           HG3      LYS  23  26.408  10.027  -7.001
  200    HD2  LYS  23           HD2      LYS  23  25.282   8.525  -8.193
  201    HD3  LYS  23           HD3      LYS  23  24.394   9.817  -9.004
  202    HE2  LYS  23           HE2      LYS  23  25.374   8.923 -10.837
  203    HE3  LYS  23           HE3      LYS  23  26.707   9.966 -10.346
  204    HZ1  LYS  23           HZ1      LYS  23  27.976   8.220  -9.815
  205    HZ2  LYS  23           HZ2      LYS  23  26.913   7.323 -10.777
  206    HZ3  LYS  23           HZ3      LYS  23  26.707   7.363  -9.099
  207    H    ASP  24           H        ASP  24  26.138  14.486  -8.557
  208    HA   ASP  24           HA       ASP  24  28.868  14.010  -9.283
  209    HB2  ASP  24           HB2      ASP  24  26.932  14.914 -10.755
  210    HB3  ASP  24           HB3      ASP  24  27.326  16.476 -10.042
  211    H    GLN  25           H        GLN  25  27.179  16.274  -7.219
  212    HA   GLN  25           HA       GLN  25  29.475  17.974  -6.847
  213    HB2  GLN  25           HB2      GLN  25  26.810  18.386  -6.565
  214    HB3  GLN  25           HB3      GLN  25  27.267  18.101  -4.891
  215    HG2  GLN  25           HG2      GLN  25  28.589  20.124  -6.681
  216    HG3  GLN  25           HG3      GLN  25  27.271  20.489  -5.571
  217   HE21  GLN  25          HE21      GLN  25  27.671  20.644  -3.408
  218   HE22  GLN  25          HE22      GLN  25  29.259  20.604  -2.727
  219    H    VAL  26           H        VAL  26  27.669  15.671  -4.821
  220    HA   VAL  26           HA       VAL  26  29.195  15.827  -2.518
  221    HB   VAL  26           HB       VAL  26  27.081  14.548  -2.715
  222   HG11  VAL  26          HG11      VAL  26  27.740  13.448  -4.886
  223   HG12  VAL  26          HG12      VAL  26  28.736  12.348  -3.931
  224   HG13  VAL  26          HG13      VAL  26  26.989  12.390  -3.691
  225   HG21  VAL  26          HG21      VAL  26  28.919  14.212  -0.917
  226   HG22  VAL  26          HG22      VAL  26  27.597  13.050  -1.023
  227   HG23  VAL  26          HG23      VAL  26  29.172  12.658  -1.711
  228    HN1  NH2  27           HN1      NH2  27  30.977  14.706  -1.698
  229    HN2  NH2  27           HN2      NH2  27  32.117  13.896  -2.719
  Start of MODEL   17
    1    H1   ACE   1           H1       ACE   1   8.518  -3.639 -12.050
    2    H2   ACE   1           H2       ACE   1   7.981  -3.109 -10.438
    3    H3   ACE   1           H3       ACE   1   6.818  -3.850 -11.563
    4    H    LYS   2           H        LYS   2   6.303  -1.458 -10.393
    5    HA   LYS   2           HA       LYS   2   5.473   0.595 -10.936
    6    HB2  LYS   2           HB2      LYS   2   8.281   0.630 -11.957
    7    HB3  LYS   2           HB3      LYS   2   7.227   1.984 -12.347
    8    HG2  LYS   2           HG2      LYS   2   6.879   1.553  -9.613
    9    HG3  LYS   2           HG3      LYS   2   8.612   1.386  -9.900
   10    HD2  LYS   2           HD2      LYS   2   8.420   3.657  -9.545
   11    HD3  LYS   2           HD3      LYS   2   8.301   3.567 -11.304
   12    HE2  LYS   2           HE2      LYS   2   5.704   3.238 -10.136
   13    HE3  LYS   2           HE3      LYS   2   6.461   4.697  -9.499
   14    HZ1  LYS   2           HZ1      LYS   2   5.176   5.086 -11.542
   15    HZ2  LYS   2           HZ2      LYS   2   6.215   4.053 -12.387
   16    HZ3  LYS   2           HZ3      LYS   2   6.810   5.491 -11.722
   17    H    ARG   3           H        ARG   3   3.994  -0.803 -12.339
   18    HA   ARG   3           HA       ARG   3   4.375  -0.265 -15.197
   19    HB2  ARG   3           HB2      ARG   3   2.586  -1.910 -15.553
   20    HB3  ARG   3           HB3      ARG   3   3.907  -2.584 -14.607
   21    HG2  ARG   3           HG2      ARG   3   2.653  -2.731 -12.701
   22    HG3  ARG   3           HG3      ARG   3   1.587  -1.405 -13.170
   23    HD2  ARG   3           HD2      ARG   3   0.194  -3.211 -13.450
   24    HD3  ARG   3           HD3      ARG   3   0.869  -3.048 -15.072
   25    HE   ARG   3           HE       ARG   3   2.379  -4.825 -13.411
   26   HH11  ARG   3          HH11      ARG   3  -0.439  -6.248 -15.873
   27   HH12  ARG   3          HH12      ARG   3  -0.413  -4.561 -15.474
   28   HH21  ARG   3          HH21      ARG   3   1.135  -7.661 -14.992
   29   HH22  ARG   3          HH22      ARG   3   2.354  -7.048 -13.929
   30    H    ILE   4           H        ILE   4   3.683   1.891 -13.483
   31    HA   ILE   4           HA       ILE   4   2.202   3.609 -13.262
   32    HB   ILE   4           HB       ILE   4   1.123   2.616 -15.900
   33   HG12  ILE   4          HG12      ILE   4   2.812   4.721 -16.443
   34   HG13  ILE   4          HG13      ILE   4   3.674   3.866 -15.168
   35   HG21  ILE   4          HG21      ILE   4  -0.113   4.471 -15.999
   36   HG22  ILE   4          HG22      ILE   4   0.194   4.629 -14.271
   37   HG23  ILE   4          HG23      ILE   4   1.213   5.484 -15.427
   38   HD11  ILE   4          HD11      ILE   4   2.674   2.009 -17.113
   39   HD12  ILE   4          HD12      ILE   4   3.630   3.270 -17.891
   40   HD13  ILE   4          HD13      ILE   4   4.331   2.307 -16.590
   41    H    GLY   5           H        GLY   5   1.128   2.665 -11.454
   42    HA2  GLY   5           HA2      GLY   5  -1.691   2.228 -11.956
   43    HA3  GLY   5           HA3      GLY   5  -0.846   0.838 -11.290
   44    H    VAL   6           H        VAL   6   0.196   4.019 -10.412
   45    HA   VAL   6           HA       VAL   6  -0.639   3.504  -7.663
   46    HB   VAL   6           HB       VAL   6   1.703   4.176  -8.114
   47   HG11  VAL   6          HG11      VAL   6   1.199   5.694 -10.004
   48   HG12  VAL   6          HG12      VAL   6   0.528   6.853  -8.854
   49   HG13  VAL   6          HG13      VAL   6   2.239   6.429  -8.785
   50   HG21  VAL   6          HG21      VAL   6   0.666   6.472  -6.581
   51   HG22  VAL   6          HG22      VAL   6   0.137   4.878  -6.039
   52   HG23  VAL   6          HG23      VAL   6   1.859   5.252  -6.133
   53    H    ARG   7           H        ARG   7  -1.299   5.644 -10.330
   54    HA   ARG   7           HA       ARG   7  -2.829   7.296 -10.651
   55    HB2  ARG   7           HB2      ARG   7  -4.377   5.500  -9.953
   56    HB3  ARG   7           HB3      ARG   7  -4.199   6.015  -8.280
   57    HG2  ARG   7           HG2      ARG   7  -6.157   7.048  -8.840
   58    HG3  ARG   7           HG3      ARG   7  -4.997   8.321  -9.221
   59    HD2  ARG   7           HD2      ARG   7  -5.218   6.692 -11.515
   60    HD3  ARG   7           HD3      ARG   7  -6.858   7.001 -10.944
   61    HE   ARG   7           HE       ARG   7  -5.109   8.865 -12.190
   62   HH11  ARG   7          HH11      ARG   7  -8.147  10.216  -9.960
   63   HH12  ARG   7          HH12      ARG   7  -7.617   8.576  -9.791
   64   HH21  ARG   7          HH21      ARG   7  -7.114  11.610 -11.456
   65   HH22  ARG   7          HH22      ARG   7  -5.800  11.027 -12.420
   66    H    LEU   8           H        LEU   8  -1.079   8.748  -9.919
   67    HA   LEU   8           HA       LEU   8  -2.058  10.635  -8.045
   68    HB2  LEU   8           HB2      LEU   8  -0.322   8.559  -7.047
   69    HB3  LEU   8           HB3      LEU   8   0.423  10.146  -6.860
   70    HG   LEU   8           HG       LEU   8  -2.250  10.357  -5.952
   71   HD11  LEU   8          HD11      LEU   8  -2.611   8.634  -4.489
   72   HD12  LEU   8          HD12      LEU   8  -0.901   8.226  -4.372
   73   HD13  LEU   8          HD13      LEU   8  -1.819   7.771  -5.807
   74   HD21  LEU   8          HD21      LEU   8   0.493  10.677  -4.941
   75   HD22  LEU   8          HD22      LEU   8  -0.738  10.393  -3.710
   76   HD23  LEU   8          HD23      LEU   8  -0.898  11.754  -4.822
   77    HA   PRO   9           HA       PRO   9   0.549  13.254 -10.417
   78    HB2  PRO   9           HB2      PRO   9   0.969  15.285  -8.666
   79    HB3  PRO   9           HB3      PRO   9  -0.578  15.021  -9.478
   80    HG2  PRO   9           HG2      PRO   9   0.263  14.257  -6.708
   81    HG3  PRO   9           HG3      PRO   9  -1.270  14.960  -7.258
   82    HD2  PRO   9           HD2      PRO   9  -0.985  12.318  -6.733
   83    HD3  PRO   9           HD3      PRO   9  -2.087  12.930  -7.984
   84    H    GLY  10           H        GLY  10   1.623  12.081  -7.318
   85    HA2  GLY  10           HA2      GLY  10   4.316  13.069  -7.578
   86    HA3  GLY  10           HA3      GLY  10   3.728  11.945  -6.362
   87    H    HIS  11           H        HIS  11   5.561  12.294  -9.167
   88    HA   HIS  11           HA       HIS  11   5.531   9.394  -9.667
   89    HB2  HIS  11           HB2      HIS  11   6.426  11.671 -11.444
   90    HB3  HIS  11           HB3      HIS  11   6.587   9.964 -11.853
   91    HD1  HIS  11           HD1      HIS  11   3.551  11.673 -10.352
   92    HD2  HIS  11           HD2      HIS  11   4.728   9.729 -13.830
   93    HE1  HIS  11           HE1      HIS  11   1.463  11.443 -11.734
   94    H    GLN  12           H        GLN  12   7.571   8.336 -10.071
   95    HA   GLN  12           HA       GLN  12   9.716   9.490  -8.441
   96    HB2  GLN  12           HB2      GLN  12   9.143   6.665  -9.336
   97    HB3  GLN  12           HB3      GLN  12  10.635   7.130  -8.529
   98    HG2  GLN  12           HG2      GLN  12   9.416   7.804  -6.565
   99    HG3  GLN  12           HG3      GLN  12   7.880   7.493  -7.374
  100   HE21  GLN  12          HE21      GLN  12  10.399   6.192  -5.521
  101   HE22  GLN  12          HE22      GLN  12   9.875   4.546  -5.521
  102    H    LYS  13           H        LYS  13   9.186  10.323 -11.195
  103    HA   LYS  13           HA       LYS  13  11.321   9.178 -12.779
  104    HB2  LYS  13           HB2      LYS  13   9.052  10.990 -13.236
  105    HB3  LYS  13           HB3      LYS  13  10.494  11.391 -14.160
  106    HG2  LYS  13           HG2      LYS  13  10.415   9.457 -15.385
  107    HG3  LYS  13           HG3      LYS  13   9.540   8.571 -14.135
  108    HD2  LYS  13           HD2      LYS  13   7.783   8.889 -15.517
  109    HD3  LYS  13           HD3      LYS  13   7.723  10.474 -14.742
  110    HE2  LYS  13           HE2      LYS  13   7.651  10.999 -16.999
  111    HE3  LYS  13           HE3      LYS  13   9.359  11.190 -16.608
  112    HZ1  LYS  13           HZ1      LYS  13   8.194   9.511 -18.523
  113    HZ2  LYS  13           HZ2      LYS  13   8.933   8.533 -17.358
  114    HZ3  LYS  13           HZ3      LYS  13   9.837   9.714 -18.165
  115    H    ARG  14           H        ARG  14  10.546  12.466 -11.626
  116    HA   ARG  14           HA       ARG  14  13.137  13.482 -12.221
  117    HB2  ARG  14           HB2      ARG  14  11.013  14.835 -12.048
  118    HB3  ARG  14           HB3      ARG  14  11.124  14.657 -10.302
  119    HG2  ARG  14           HG2      ARG  14  13.245  15.828 -10.290
  120    HG3  ARG  14           HG3      ARG  14  13.208  15.949 -12.050
  121    HD2  ARG  14           HD2      ARG  14  10.813  17.032 -11.426
  122    HD3  ARG  14           HD3      ARG  14  11.754  17.494 -10.007
  123    HE   ARG  14           HE       ARG  14  12.814  19.036 -11.305
  124   HH11  ARG  14          HH11      ARG  14  11.984  17.359 -14.844
  125   HH12  ARG  14          HH12      ARG  14  11.511  16.561 -13.380
  126   HH21  ARG  14          HH21      ARG  14  13.080  19.367 -14.755
  127   HH22  ARG  14          HH22      ARG  14  13.439  20.095 -13.225
  128    H    MK8  15           H2       MK8  15  11.956  11.538  -9.608
  129    HB   MK8  15           HB       MK8  15  11.906  10.350  -7.247
  130    HBA  MK8  15           HBA      MK8  15  12.842   9.481  -8.437
  131    HD   MK8  15           HD       MK8  15  14.351   7.579  -7.225
  132    HDA  MK8  15           HDA      MK8  15  15.366   8.858  -7.797
  133    HE   MK8  15           HE       MK8  15  15.490   7.490  -5.078
  134    HG   MK8  15           HG       MK8  15  14.215  10.269  -5.822
  135    HGA  MK8  15           HGA      MK8  15  13.057   8.971  -5.808
  136    HB1  MK8  15           HB1      MK8  15  13.934  12.376  -6.104
  137   HB1A  MK8  15          HB1A      MK8  15  13.673  13.606  -7.322
  138   HB1B  MK8  15          HB1B      MK8  15  12.300  12.712  -6.678
  139    H    ALA  16           H        ALA  16  14.293  10.201 -10.009
  140    HA   ALA  16           HA       ALA  16  16.917   9.598  -9.566
  141    HB1  ALA  16           HB1      ALA  16  16.775  10.069 -12.325
  142    HB2  ALA  16           HB2      ALA  16  16.527   8.541 -11.478
  143    HB3  ALA  16           HB3      ALA  16  15.152   9.587 -11.828
  144    H    TYR  17           H        TYR  17  15.605  12.602 -10.834
  145    HA   TYR  17           HA       TYR  17  18.022  13.752 -11.702
  146    HB2  TYR  17           HB2      TYR  17  15.644  14.544 -12.183
  147    HB3  TYR  17           HB3      TYR  17  15.682  15.300 -10.595
  148    HD1  TYR  17           HD1      TYR  17  16.258  15.814 -14.008
  149    HD2  TYR  17           HD2      TYR  17  17.808  16.839 -10.181
  150    HE1  TYR  17           HE1      TYR  17  17.347  17.791 -14.986
  151    HE2  TYR  17           HE2      TYR  17  18.902  18.819 -11.148
  152    HH   TYR  17           HH       TYR  17  19.068  20.127 -12.965
  153    H    SER  18           H        SER  18  16.299  13.976  -8.606
  154    HA   SER  18           HA       SER  18  17.992  15.779  -7.327
  155    HB2  SER  18           HB2      SER  18  15.723  14.458  -6.614
  156    HB3  SER  18           HB3      SER  18  16.917  13.613  -5.629
  157    HG   SER  18           HG       SER  18  16.198  15.370  -4.470
  158    H    MK8  19           H2       MK8  19  18.350  12.275  -7.858
  159    HB   MK8  19           HB       MK8  19  19.712  10.353  -8.677
  160    HBA  MK8  19           HBA      MK8  19  21.099   9.894  -7.767
  161    HD   MK8  19           HD       MK8  19  17.770  10.683  -6.038
  162    HDA  MK8  19           HDA      MK8  19  17.293   9.834  -7.498
  163    HE   MK8  19           HE       MK8  19  17.647   8.381  -4.802
  164    HG   MK8  19           HG       MK8  19  19.258   8.366  -7.353
  165    HGA  MK8  19           HGA      MK8  19  19.768   9.123  -5.872
  166    HB1  MK8  19           HB1      MK8  19  20.951  12.584  -5.192
  167   HB1A  MK8  19          HB1A      MK8  19  19.824  11.275  -5.026
  168   HB1B  MK8  19          HB1B      MK8  19  21.507  10.952  -5.486
  169    H    LEU  20           H        LEU  20  20.276  12.782  -9.428
  170    HA   LEU  20           HA       LEU  20  22.891  13.064 -10.250
  171    HB2  LEU  20           HB2      LEU  20  20.550  13.469 -11.431
  172    HB3  LEU  20           HB3      LEU  20  20.950  15.151 -11.086
  173    HG   LEU  20           HG       LEU  20  21.587  14.555 -13.351
  174   HD11  LEU  20          HD11      LEU  20  23.050  15.989 -11.672
  175   HD12  LEU  20          HD12      LEU  20  23.573  15.661 -13.323
  176   HD13  LEU  20          HD13      LEU  20  24.217  14.705 -11.988
  177   HD21  LEU  20          HD21      LEU  20  22.856  12.756 -13.943
  178   HD22  LEU  20          HD22      LEU  20  22.056  12.088 -12.520
  179   HD23  LEU  20          HD23      LEU  20  23.706  12.703 -12.399
  180    H    GLY  21           H        GLY  21  20.829  15.577  -8.778
  181    HA2  GLY  21           HA2      GLY  21  22.938  17.495  -8.637
  182    HA3  GLY  21           HA3      GLY  21  21.378  17.604  -7.835
  183    H    LEU  22           H        LEU  22  22.439  14.708  -6.890
  184    HA   LEU  22           HA       LEU  22  24.037  15.759  -4.655
  185    HB2  LEU  22           HB2      LEU  22  21.431  14.911  -4.438
  186    HB3  LEU  22           HB3      LEU  22  22.348  13.475  -3.986
  187    HG   LEU  22           HG       LEU  22  23.594  15.200  -2.412
  188   HD11  LEU  22          HD11      LEU  22  21.011  16.523  -3.117
  189   HD12  LEU  22          HD12      LEU  22  22.611  17.229  -2.890
  190   HD13  LEU  22          HD13      LEU  22  21.676  16.696  -1.493
  191   HD21  LEU  22          HD21      LEU  22  21.016  13.736  -2.022
  192   HD22  LEU  22          HD22      LEU  22  21.695  14.702  -0.712
  193   HD23  LEU  22          HD23      LEU  22  22.622  13.367  -1.395
  194    H    LYS  23           H        LYS  23  24.925  14.468  -7.069
  195    HA   LYS  23           HA       LYS  23  26.244  12.146  -5.854
  196    HB2  LYS  23           HB2      LYS  23  24.497  11.212  -7.241
  197    HB3  LYS  23           HB3      LYS  23  24.977  12.227  -8.596
  198    HG2  LYS  23           HG2      LYS  23  26.606  10.829  -9.219
  199    HG3  LYS  23           HG3      LYS  23  27.126  10.538  -7.558
  200    HD2  LYS  23           HD2      LYS  23  25.139   9.048  -7.282
  201    HD3  LYS  23           HD3      LYS  23  24.817   9.244  -9.005
  202    HE2  LYS  23           HE2      LYS  23  26.579   7.945  -9.620
  203    HE3  LYS  23           HE3      LYS  23  27.553   8.420  -8.231
  204    HZ1  LYS  23           HZ1      LYS  23  26.847   6.676  -7.068
  205    HZ2  LYS  23           HZ2      LYS  23  26.267   6.049  -8.527
  206    HZ3  LYS  23           HZ3      LYS  23  25.229   6.907  -7.503
  207    H    ASP  24           H        ASP  24  26.209  14.478  -8.523
  208    HA   ASP  24           HA       ASP  24  28.889  14.013  -9.332
  209    HB2  ASP  24           HB2      ASP  24  26.724  15.530 -10.260
  210    HB3  ASP  24           HB3      ASP  24  27.985  16.703  -9.898
  211    H    GLN  25           H        GLN  25  27.379  16.285  -7.096
  212    HA   GLN  25           HA       GLN  25  29.708  17.828  -6.607
  213    HB2  GLN  25           HB2      GLN  25  26.986  17.673  -5.582
  214    HB3  GLN  25           HB3      GLN  25  28.155  18.028  -4.318
  215    HG2  GLN  25           HG2      GLN  25  27.186  20.045  -5.343
  216    HG3  GLN  25           HG3      GLN  25  28.940  19.957  -5.506
  217   HE21  GLN  25          HE21      GLN  25  25.992  19.028  -7.248
  218   HE22  GLN  25          HE22      GLN  25  26.582  19.445  -8.817
  219    H    VAL  26           H        VAL  26  28.143  15.229  -4.741
  220    HA   VAL  26           HA       VAL  26  30.058  15.108  -2.690
  221    HB   VAL  26           HB       VAL  26  28.341  12.843  -3.716
  222   HG11  VAL  26          HG11      VAL  26  28.540  12.346  -1.124
  223   HG12  VAL  26          HG12      VAL  26  29.749  11.773  -2.274
  224   HG13  VAL  26          HG13      VAL  26  30.057  13.225  -1.321
  225   HG21  VAL  26          HG21      VAL  26  27.769  15.089  -1.806
  226   HG22  VAL  26          HG22      VAL  26  26.842  14.582  -3.218
  227   HG23  VAL  26          HG23      VAL  26  26.863  13.576  -1.769
  228    HN1  NH2  27           HN1      NH2  27  32.115  14.482  -2.716
  229    HN2  NH2  27           HN2      NH2  27  32.836  13.391  -3.850
  Start of MODEL   18
    1    H1   ACE   1           H1       ACE   1 -14.873  13.354 -13.901
    2    H2   ACE   1           H2       ACE   1 -13.222  13.402 -14.561
    3    H3   ACE   1           H3       ACE   1 -13.585  12.389 -13.142
    4    H    LYS   2           H        LYS   2 -11.862  13.489 -12.116
    5    HA   LYS   2           HA       LYS   2 -12.797  15.850 -10.710
    6    HB2  LYS   2           HB2      LYS   2 -10.247  14.275 -10.313
    7    HB3  LYS   2           HB3      LYS   2 -10.916  15.476  -9.217
    8    HG2  LYS   2           HG2      LYS   2 -12.995  13.853  -9.263
    9    HG3  LYS   2           HG3      LYS   2 -11.759  12.675  -9.707
   10    HD2  LYS   2           HD2      LYS   2 -10.995  12.580  -7.614
   11    HD3  LYS   2           HD3      LYS   2 -10.884  14.338  -7.511
   12    HE2  LYS   2           HE2      LYS   2 -12.955  14.548  -6.568
   13    HE3  LYS   2           HE3      LYS   2 -13.580  13.102  -7.358
   14    HZ1  LYS   2           HZ1      LYS   2 -12.259  11.758  -5.828
   15    HZ2  LYS   2           HZ2      LYS   2 -13.347  12.749  -4.994
   16    HZ3  LYS   2           HZ3      LYS   2 -11.706  13.157  -5.054
   17    H    ARG   3           H        ARG   3 -10.599  17.239 -10.065
   18    HA   ARG   3           HA       ARG   3  -9.840  18.430 -12.624
   19    HB2  ARG   3           HB2      ARG   3  -9.241  20.392 -11.377
   20    HB3  ARG   3           HB3      ARG   3 -10.816  19.846 -10.814
   21    HG2  ARG   3           HG2      ARG   3  -9.476  18.626  -8.973
   22    HG3  ARG   3           HG3      ARG   3  -8.174  19.726  -9.427
   23    HD2  ARG   3           HD2      ARG   3  -9.242  21.551  -8.596
   24    HD3  ARG   3           HD3      ARG   3 -10.842  20.924  -8.989
   25    HE   ARG   3           HE       ARG   3 -10.948  19.968  -6.905
   26   HH11  ARG   3          HH11      ARG   3  -7.127  20.672  -5.944
   27   HH12  ARG   3          HH12      ARG   3  -7.678  20.964  -7.561
   28   HH21  ARG   3          HH21      ARG   3  -8.582  19.885  -4.360
   29   HH22  ARG   3          HH22      ARG   3 -10.236  19.581  -4.774
   30    H    ILE   4           H        ILE   4  -7.733  18.720 -13.277
   31    HA   ILE   4           HA       ILE   4  -5.790  16.944 -12.030
   32    HB   ILE   4           HB       ILE   4  -5.443  18.571 -14.546
   33   HG12  ILE   4          HG12      ILE   4  -5.851  15.927 -15.284
   34   HG13  ILE   4          HG13      ILE   4  -7.054  16.197 -14.028
   35   HG21  ILE   4          HG21      ILE   4  -3.487  17.500 -14.857
   36   HG22  ILE   4          HG22      ILE   4  -3.557  17.285 -13.109
   37   HG23  ILE   4          HG23      ILE   4  -4.085  15.987 -14.179
   38   HD11  ILE   4          HD11      ILE   4  -7.342  16.799 -16.676
   39   HD12  ILE   4          HD12      ILE   4  -8.304  17.469 -15.359
   40   HD13  ILE   4          HD13      ILE   4  -6.912  18.358 -15.974
   41    H    GLY   5           H        GLY   5  -5.519  20.211 -13.449
   42    HA2  GLY   5           HA2      GLY   5  -4.723  22.142 -12.362
   43    HA3  GLY   5           HA3      GLY   5  -4.176  21.139 -11.027
   44    H    VAL   6           H        VAL   6  -2.158  22.226 -11.060
   45    HA   VAL   6           HA       VAL   6  -0.492  21.925 -13.429
   46    HB   VAL   6           HB       VAL   6   0.194  23.179 -10.767
   47   HG11  VAL   6          HG11      VAL   6   2.242  22.752 -11.726
   48   HG12  VAL   6          HG12      VAL   6   1.630  22.922 -13.372
   49   HG13  VAL   6          HG13      VAL   6   1.887  24.354 -12.373
   50   HG21  VAL   6          HG21      VAL   6  -1.130  24.856 -11.388
   51   HG22  VAL   6          HG22      VAL   6  -0.013  25.159 -12.719
   52   HG23  VAL   6          HG23      VAL   6  -1.421  24.125 -12.967
   53    H    ARG   7           H        ARG   7  -0.178  19.682 -13.493
   54    HA   ARG   7           HA       ARG   7   0.930  17.738 -13.092
   55    HB2  ARG   7           HB2      ARG   7   2.671  19.825 -12.176
   56    HB3  ARG   7           HB3      ARG   7   2.830  18.433 -11.114
   57    HG2  ARG   7           HG2      ARG   7   4.441  18.081 -12.751
   58    HG3  ARG   7           HG3      ARG   7   3.092  17.062 -13.258
   59    HD2  ARG   7           HD2      ARG   7   2.763  19.675 -14.365
   60    HD3  ARG   7           HD3      ARG   7   4.391  19.098 -14.720
   61    HE   ARG   7           HE       ARG   7   1.951  18.142 -15.845
   62   HH11  ARG   7          HH11      ARG   7   5.258  15.897 -16.056
   63   HH12  ARG   7          HH12      ARG   7   5.172  17.203 -14.920
   64   HH21  ARG   7          HH21      ARG   7   3.483  15.456 -17.435
   65   HH22  ARG   7          HH22      ARG   7   2.051  16.426 -17.344
   66    H    LEU   8           H        LEU   8   1.689  16.250 -11.196
   67    HA   LEU   8           HA       LEU   8  -0.319  16.498  -9.058
   68    HB2  LEU   8           HB2      LEU   8   0.826  14.139 -10.497
   69    HB3  LEU   8           HB3      LEU   8   0.149  13.951  -8.882
   70    HG   LEU   8           HG       LEU   8  -1.482  13.320 -10.550
   71   HD11  LEU   8          HD11      LEU   8  -2.227  15.985  -9.355
   72   HD12  LEU   8          HD12      LEU   8  -2.225  14.455  -8.477
   73   HD13  LEU   8          HD13      LEU   8  -3.323  14.690  -9.837
   74   HD21  LEU   8          HD21      LEU   8  -0.558  14.726 -12.375
   75   HD22  LEU   8          HD22      LEU   8  -1.276  16.139 -11.602
   76   HD23  LEU   8          HD23      LEU   8  -2.310  14.846 -12.210
   77    HA   PRO   9           HA       PRO   9   2.791  16.582  -5.961
   78    HB2  PRO   9           HB2      PRO   9   1.651  15.115  -3.982
   79    HB3  PRO   9           HB3      PRO   9   1.098  16.738  -4.414
   80    HG2  PRO   9           HG2      PRO   9  -0.037  14.080  -5.194
   81    HG3  PRO   9           HG3      PRO   9  -0.883  15.551  -4.681
   82    HD2  PRO   9           HD2      PRO   9  -0.669  14.825  -7.281
   83    HD3  PRO   9           HD3      PRO   9  -0.719  16.523  -6.764
   84    H    GLY  10           H        GLY  10   1.669  13.508  -7.144
   85    HA2  GLY  10           HA2      GLY  10   3.676  11.952  -5.779
   86    HA3  GLY  10           HA3      GLY  10   2.583  11.382  -7.031
   87    H    HIS  11           H        HIS  11   5.754  12.177  -6.298
   88    HA   HIS  11           HA       HIS  11   6.456  12.430  -9.147
   89    HB2  HIS  11           HB2      HIS  11   7.993  13.286  -6.687
   90    HB3  HIS  11           HB3      HIS  11   8.614  13.380  -8.333
   91    HD1  HIS  11           HD1      HIS  11   5.191  14.422  -7.054
   92    HD2  HIS  11           HD2      HIS  11   8.581  16.050  -8.821
   93    HE1  HIS  11           HE1      HIS  11   4.614  16.824  -7.532
   94    H    GLN  12           H        GLN  12   8.646  11.475  -9.684
   95    HA   GLN  12           HA       GLN  12   9.770   9.414  -8.137
   96    HB2  GLN  12           HB2      GLN  12   7.362   8.621  -9.185
   97    HB3  GLN  12           HB3      GLN  12   8.496   8.055 -10.405
   98    HG2  GLN  12           HG2      GLN  12   8.194   6.271  -8.904
   99    HG3  GLN  12           HG3      GLN  12   9.778   6.955  -8.542
  100   HE21  GLN  12          HE21      GLN  12  10.203   7.294  -6.487
  101   HE22  GLN  12          HE22      GLN  12   9.041   7.494  -5.224
  102    H    LYS  13           H        LYS  13   9.023  10.394 -11.465
  103    HA   LYS  13           HA       LYS  13  11.335   9.329 -12.659
  104    HB2  LYS  13           HB2      LYS  13   9.551  11.627 -13.466
  105    HB3  LYS  13           HB3      LYS  13  10.856  11.018 -14.475
  106    HG2  LYS  13           HG2      LYS  13   9.563   9.403 -15.261
  107    HG3  LYS  13           HG3      LYS  13   9.192   8.846 -13.628
  108    HD2  LYS  13           HD2      LYS  13   7.144   9.431 -14.772
  109    HD3  LYS  13           HD3      LYS  13   7.443  10.584 -13.468
  110    HE2  LYS  13           HE2      LYS  13   7.460  12.281 -14.902
  111    HE3  LYS  13           HE3      LYS  13   8.686  11.492 -15.892
  112    HZ1  LYS  13           HZ1      LYS  13   6.923  11.691 -17.335
  113    HZ2  LYS  13           HZ2      LYS  13   5.756  11.394 -16.149
  114    HZ3  LYS  13           HZ3      LYS  13   6.693  10.121 -16.749
  115    H    ARG  14           H        ARG  14  10.642  12.581 -11.406
  116    HA   ARG  14           HA       ARG  14  13.211  13.629 -12.034
  117    HB2  ARG  14           HB2      ARG  14  11.048  14.929 -11.612
  118    HB3  ARG  14           HB3      ARG  14  11.367  14.687  -9.899
  119    HG2  ARG  14           HG2      ARG  14  13.488  15.863 -10.112
  120    HG3  ARG  14           HG3      ARG  14  13.197  16.084 -11.839
  121    HD2  ARG  14           HD2      ARG  14  12.203  18.006 -11.318
  122    HD3  ARG  14           HD3      ARG  14  10.894  17.045 -10.629
  123    HE   ARG  14           HE       ARG  14  12.707  17.205  -8.615
  124   HH11  ARG  14          HH11      ARG  14  11.124  20.792  -9.419
  125   HH12  ARG  14          HH12      ARG  14  11.112  19.554 -10.630
  126   HH21  ARG  14          HH21      ARG  14  12.046  20.380  -7.363
  127   HH22  ARG  14          HH22      ARG  14  12.730  18.828  -7.012
  128    H    MK8  15           H2       MK8  15  12.233  11.381  -9.604
  129    HB   MK8  15           HB       MK8  15  12.189  10.116  -7.273
  130    HBA  MK8  15           HBA      MK8  15  13.254   9.294  -8.395
  131    HD   MK8  15           HD       MK8  15  14.387   7.364  -7.130
  132    HDA  MK8  15           HDA      MK8  15  15.515   8.517  -7.785
  133    HE   MK8  15           HE       MK8  15  15.641   7.088  -5.106
  134    HG   MK8  15           HG       MK8  15  14.654  10.127  -5.896
  135    HGA  MK8  15           HGA      MK8  15  13.357   8.981  -5.673
  136    HB1  MK8  15           HB1      MK8  15  12.535  12.533  -6.678
  137   HB1A  MK8  15          HB1A      MK8  15  14.114  12.137  -6.035
  138   HB1B  MK8  15          HB1B      MK8  15  13.951  13.413  -7.223
  139    H    ALA  16           H        ALA  16  14.467  10.144 -10.123
  140    HA   ALA  16           HA       ALA  16  17.119   9.557  -9.826
  141    HB1  ALA  16           HB1      ALA  16  15.545  10.164 -12.313
  142    HB2  ALA  16           HB2      ALA  16  17.220   9.613 -12.361
  143    HB3  ALA  16           HB3      ALA  16  15.975   8.591 -11.643
  144    H    TYR  17           H        TYR  17  15.703  12.595 -10.887
  145    HA   TYR  17           HA       TYR  17  18.143  13.796 -11.720
  146    HB2  TYR  17           HB2      TYR  17  15.711  14.479 -12.287
  147    HB3  TYR  17           HB3      TYR  17  15.753  15.346 -10.757
  148    HD1  TYR  17           HD1      TYR  17  16.220  15.691 -14.177
  149    HD2  TYR  17           HD2      TYR  17  17.980  16.841 -10.479
  150    HE1  TYR  17           HE1      TYR  17  17.305  17.594 -15.294
  151    HE2  TYR  17           HE2      TYR  17  19.069  18.750 -11.584
  152    HH   TYR  17           HH       TYR  17  18.441  19.511 -14.975
  153    H    SER  18           H        SER  18  16.287  13.842  -8.710
  154    HA   SER  18           HA       SER  18  17.802  15.764  -7.345
  155    HB2  SER  18           HB2      SER  18  16.719  15.023  -5.369
  156    HB3  SER  18           HB3      SER  18  15.557  14.742  -6.666
  157    HG   SER  18           HG       SER  18  17.043  12.907  -5.167
  158    H    MK8  19           H2       MK8  19  18.193  12.224  -7.620
  159    HB   MK8  19           HB       MK8  19  19.458  10.421  -8.469
  160    HBA  MK8  19           HBA      MK8  19  20.974   9.982  -7.754
  161    HD   MK8  19           HD       MK8  19  17.669  10.486  -5.887
  162    HDA  MK8  19           HDA      MK8  19  17.338   9.591  -7.374
  163    HE   MK8  19           HE       MK8  19  17.761   8.081  -4.728
  164    HG   MK8  19           HG       MK8  19  19.416   8.326  -7.133
  165    HGA  MK8  19           HGA      MK8  19  19.828   9.185  -5.674
  166    HB1  MK8  19           HB1      MK8  19  20.785  12.698  -5.027
  167   HB1A  MK8  19          HB1A      MK8  19  19.684  11.354  -4.844
  168   HB1B  MK8  19          HB1B      MK8  19  21.382  11.063  -5.266
  169    H    LEU  20           H        LEU  20  20.111  12.661  -9.244
  170    HA   LEU  20           HA       LEU  20  22.701  12.862 -10.165
  171    HB2  LEU  20           HB2      LEU  20  20.286  13.253 -11.260
  172    HB3  LEU  20           HB3      LEU  20  20.808  14.931 -11.108
  173    HG   LEU  20           HG       LEU  20  21.305  14.118 -13.322
  174   HD11  LEU  20          HD11      LEU  20  23.753  14.487 -13.362
  175   HD12  LEU  20          HD12      LEU  20  23.762  14.402 -11.601
  176   HD13  LEU  20          HD13      LEU  20  22.879  15.693 -12.417
  177   HD21  LEU  20          HD21      LEU  20  23.056  12.020 -12.059
  178   HD22  LEU  20          HD22      LEU  20  22.682  12.230 -13.770
  179   HD23  LEU  20          HD23      LEU  20  21.424  11.705 -12.651
  180    H    GLY  21           H        GLY  21  20.707  15.485  -8.798
  181    HA2  GLY  21           HA2      GLY  21  22.838  17.388  -8.854
  182    HA3  GLY  21           HA3      GLY  21  21.302  17.570  -8.018
  183    H    LEU  22           H        LEU  22  22.370  14.732  -6.909
  184    HA   LEU  22           HA       LEU  22  24.053  15.911  -4.805
  185    HB2  LEU  22           HB2      LEU  22  21.442  15.174  -4.428
  186    HB3  LEU  22           HB3      LEU  22  22.316  13.726  -3.931
  187    HG   LEU  22           HG       LEU  22  21.900  15.033  -1.985
  188   HD11  LEU  22          HD11      LEU  22  24.176  15.510  -1.209
  189   HD12  LEU  22          HD12      LEU  22  24.761  15.391  -2.869
  190   HD13  LEU  22          HD13      LEU  22  24.082  13.973  -2.069
  191   HD21  LEU  22          HD21      LEU  22  22.463  17.332  -1.743
  192   HD22  LEU  22          HD22      LEU  22  21.541  17.174  -3.238
  193   HD23  LEU  22          HD23      LEU  22  23.295  17.357  -3.298
  194    H    LYS  23           H        LYS  23  24.873  14.450  -7.120
  195    HA   LYS  23           HA       LYS  23  26.003  12.064  -5.815
  196    HB2  LYS  23           HB2      LYS  23  24.524  12.291  -8.329
  197    HB3  LYS  23           HB3      LYS  23  26.075  11.482  -8.514
  198    HG2  LYS  23           HG2      LYS  23  25.463   9.877  -6.794
  199    HG3  LYS  23           HG3      LYS  23  23.923  10.705  -6.554
  200    HD2  LYS  23           HD2      LYS  23  23.024   9.474  -8.171
  201    HD3  LYS  23           HD3      LYS  23  24.174  10.159  -9.321
  202    HE2  LYS  23           HE2      LYS  23  25.802   8.424  -8.686
  203    HE3  LYS  23           HE3      LYS  23  24.612   7.728  -7.587
  204    HZ1  LYS  23           HZ1      LYS  23  23.150   7.397  -9.536
  205    HZ2  LYS  23           HZ2      LYS  23  24.589   6.511  -9.628
  206    HZ3  LYS  23           HZ3      LYS  23  24.405   7.922 -10.542
  207    H    ASP  24           H        ASP  24  26.426  14.583  -8.256
  208    HA   ASP  24           HA       ASP  24  29.276  13.988  -8.446
  209    HB2  ASP  24           HB2      ASP  24  27.511  14.760 -10.349
  210    HB3  ASP  24           HB3      ASP  24  28.172  16.325  -9.884
  211    H    GLN  25           H        GLN  25  27.094  16.269  -7.012
  212    HA   GLN  25           HA       GLN  25  29.376  17.909  -6.130
  213    HB2  GLN  25           HB2      GLN  25  27.363  18.908  -7.457
  214    HB3  GLN  25           HB3      GLN  25  26.521  18.801  -5.917
  215    HG2  GLN  25           HG2      GLN  25  28.140  20.241  -4.875
  216    HG3  GLN  25           HG3      GLN  25  29.116  20.261  -6.343
  217   HE21  GLN  25          HE21      GLN  25  28.512  22.632  -5.420
  218   HE22  GLN  25          HE22      GLN  25  27.255  23.392  -6.331
  219    H    VAL  26           H        VAL  26  28.390  15.356  -4.974
  220    HA   VAL  26           HA       VAL  26  26.950  15.773  -2.610
  221    HB   VAL  26           HB       VAL  26  27.383  13.540  -3.562
  222   HG11  VAL  26          HG11      VAL  26  29.511  12.444  -3.277
  223   HG12  VAL  26          HG12      VAL  26  29.750  13.947  -4.170
  224   HG13  VAL  26          HG13      VAL  26  30.171  13.861  -2.459
  225   HG21  VAL  26          HG21      VAL  26  28.573  13.398  -0.845
  226   HG22  VAL  26          HG22      VAL  26  26.980  14.138  -1.011
  227   HG23  VAL  26          HG23      VAL  26  27.241  12.478  -1.547
  228    HN1  NH2  27           HN1      NH2  27  27.581  16.029  -0.445
  229    HN2  NH2  27           HN2      NH2  27  29.118  16.695  -0.004
  Start of MODEL   19
    1    H1   ACE   1           H1       ACE   1  12.488  27.859   0.497
    2    H2   ACE   1           H2       ACE   1  12.566  28.375   2.198
    3    H3   ACE   1           H3       ACE   1  13.551  29.204   0.969
    4    H    LYS   2           H        LYS   2  15.388  28.287   0.220
    5    HA   LYS   2           HA       LYS   2  17.311  27.080   0.326
    6    HB2  LYS   2           HB2      LYS   2  16.340  26.073   2.999
    7    HB3  LYS   2           HB3      LYS   2  18.001  26.183   2.437
    8    HG2  LYS   2           HG2      LYS   2  16.180  28.516   2.992
    9    HG3  LYS   2           HG3      LYS   2  17.470  27.935   4.048
   10    HD2  LYS   2           HD2      LYS   2  18.979  28.283   1.961
   11    HD3  LYS   2           HD3      LYS   2  17.664  29.318   1.400
   12    HE2  LYS   2           HE2      LYS   2  17.835  30.629   3.472
   13    HE3  LYS   2           HE3      LYS   2  19.169  29.604   4.000
   14    HZ1  LYS   2           HZ1      LYS   2  19.314  31.889   2.439
   15    HZ2  LYS   2           HZ2      LYS   2  19.690  30.600   1.410
   16    HZ3  LYS   2           HZ3      LYS   2  20.575  30.832   2.834
   17    H    ARG   3           H        ARG   3  18.078  24.657   0.991
   18    HA   ARG   3           HA       ARG   3  16.652  22.962  -0.785
   19    HB2  ARG   3           HB2      ARG   3  18.815  22.280   1.216
   20    HB3  ARG   3           HB3      ARG   3  18.258  21.232  -0.081
   21    HG2  ARG   3           HG2      ARG   3  19.100  23.878  -0.986
   22    HG3  ARG   3           HG3      ARG   3  20.382  22.933  -0.225
   23    HD2  ARG   3           HD2      ARG   3  20.569  22.223  -2.396
   24    HD3  ARG   3           HD3      ARG   3  19.446  21.022  -1.761
   25    HE   ARG   3           HE       ARG   3  17.894  23.075  -2.751
   26   HH11  ARG   3          HH11      ARG   3  19.569  20.800  -5.588
   27   HH12  ARG   3          HH12      ARG   3  20.257  20.843  -3.998
   28   HH21  ARG   3          HH21      ARG   3  17.704  22.043  -6.065
   29   HH22  ARG   3          HH22      ARG   3  16.978  23.027  -4.840
   30    H    ILE   4           H        ILE   4  17.303  22.552   2.702
   31    HA   ILE   4           HA       ILE   4  15.209  20.599   2.955
   32    HB   ILE   4           HB       ILE   4  16.812  21.976   5.114
   33   HG12  ILE   4          HG12      ILE   4  17.744  19.428   5.002
   34   HG13  ILE   4          HG13      ILE   4  17.363  19.700   3.306
   35   HG21  ILE   4          HG21      ILE   4  14.741  19.854   5.136
   36   HG22  ILE   4          HG22      ILE   4  16.118  19.660   6.220
   37   HG23  ILE   4          HG23      ILE   4  15.104  21.099   6.332
   38   HD11  ILE   4          HD11      ILE   4  19.006  21.237   3.042
   39   HD12  ILE   4          HD12      ILE   4  18.905  21.799   4.712
   40   HD13  ILE   4          HD13      ILE   4  19.723  20.282   4.340
   41    H    GLY   5           H        GLY   5  13.128  21.098   3.089
   42    HA2  GLY   5           HA2      GLY   5  12.140  22.990   4.974
   43    HA3  GLY   5           HA3      GLY   5  12.044  23.632   3.340
   44    H    VAL   6           H        VAL   6  10.432  22.977   2.015
   45    HA   VAL   6           HA       VAL   6   8.122  21.837   3.078
   46    HB   VAL   6           HB       VAL   6   7.361  21.580   0.724
   47   HG11  VAL   6          HG11      VAL   6   7.784  24.080   0.142
   48   HG12  VAL   6          HG12      VAL   6   6.850  23.665   1.580
   49   HG13  VAL   6          HG13      VAL   6   8.544  24.134   1.731
   50   HG21  VAL   6          HG21      VAL   6  10.090  22.646   0.009
   51   HG22  VAL   6          HG22      VAL   6   9.579  20.972  -0.207
   52   HG23  VAL   6          HG23      VAL   6   8.776  22.260  -1.103
   53    H    ARG   7           H        ARG   7   7.251  19.808   3.081
   54    HA   ARG   7           HA       ARG   7   9.093  17.624   2.397
   55    HB2  ARG   7           HB2      ARG   7   8.011  18.014   4.766
   56    HB3  ARG   7           HB3      ARG   7   6.625  17.217   4.035
   57    HG2  ARG   7           HG2      ARG   7   9.322  15.955   3.847
   58    HG3  ARG   7           HG3      ARG   7   8.388  15.829   5.341
   59    HD2  ARG   7           HD2      ARG   7   6.500  14.911   4.031
   60    HD3  ARG   7           HD3      ARG   7   7.515  14.954   2.590
   61    HE   ARG   7           HE       ARG   7   8.842  13.504   4.591
   62   HH11  ARG   7          HH11      ARG   7   6.090  11.529   2.458
   63   HH12  ARG   7          HH12      ARG   7   6.059  13.261   2.512
   64   HH21  ARG   7          HH21      ARG   7   7.700  10.372   3.605
   65   HH22  ARG   7          HH22      ARG   7   8.892  11.224   4.527
   66    H    LEU   8           H        LEU   8   8.668  16.399   0.689
   67    HA   LEU   8           HA       LEU   8   5.953  16.461  -0.442
   68    HB2  LEU   8           HB2      LEU   8   7.258  15.537  -2.497
   69    HB3  LEU   8           HB3      LEU   8   7.283  17.260  -2.126
   70    HG   LEU   8           HG       LEU   8   9.477  15.658  -0.970
   71   HD11  LEU   8          HD11      LEU   8   9.287  16.191  -3.930
   72   HD12  LEU   8          HD12      LEU   8   9.308  14.610  -3.150
   73   HD13  LEU   8          HD13      LEU   8  10.732  15.648  -3.077
   74   HD21  LEU   8          HD21      LEU   8   9.317  18.086  -0.702
   75   HD22  LEU   8          HD22      LEU   8   9.363  18.283  -2.453
   76   HD23  LEU   8          HD23      LEU   8  10.762  17.628  -1.602
   77    HA   PRO   9           HA       PRO   9   5.367  12.162   0.211
   78    HB2  PRO   9           HB2      PRO   9   4.057  11.416  -2.047
   79    HB3  PRO   9           HB3      PRO   9   3.306  12.393  -0.780
   80    HG2  PRO   9           HG2      PRO   9   4.509  13.261  -3.380
   81    HG3  PRO   9           HG3      PRO   9   3.007  13.800  -2.609
   82    HD2  PRO   9           HD2      PRO   9   5.300  15.237  -2.497
   83    HD3  PRO   9           HD3      PRO   9   4.108  15.235  -1.181
   84    H    GLY  10           H        GLY  10   7.168  13.248  -2.525
   85    HA2  GLY  10           HA2      GLY  10   9.214  12.188  -3.146
   86    HA3  GLY  10           HA3      GLY  10   8.549  10.656  -2.600
   87    H    HIS  11           H        HIS  11   8.198  13.147  -5.098
   88    HA   HIS  11           HA       HIS  11   6.609  11.533  -6.821
   89    HB2  HIS  11           HB2      HIS  11   8.179  14.072  -7.218
   90    HB3  HIS  11           HB3      HIS  11   7.353  13.281  -8.557
   91    HD1  HIS  11           HD1      HIS  11   5.865  13.484  -5.110
   92    HD2  HIS  11           HD2      HIS  11   5.414  15.236  -8.848
   93    HE1  HIS  11           HE1      HIS  11   3.744  14.827  -4.970
   94    H    GLN  12           H        GLN  12   7.176  10.364  -8.637
   95    HA   GLN  12           HA       GLN  12   9.867   9.298  -8.618
   96    HB2  GLN  12           HB2      GLN  12   7.582   8.581 -10.459
   97    HB3  GLN  12           HB3      GLN  12   9.040   7.644 -10.166
   98    HG2  GLN  12           HG2      GLN  12   8.157   7.733  -7.674
   99    HG3  GLN  12           HG3      GLN  12   6.613   7.954  -8.497
  100   HE21  GLN  12          HE21      GLN  12   6.839   6.391 -10.677
  101   HE22  GLN  12          HE22      GLN  12   7.028   4.735 -10.223
  102    H    LYS  13           H        LYS  13  10.503   8.689 -11.120
  103    HA   LYS  13           HA       LYS  13  11.352   9.456 -13.091
  104    HB2  LYS  13           HB2      LYS  13   8.901  10.907 -12.769
  105    HB3  LYS  13           HB3      LYS  13  10.114  11.978 -13.457
  106    HG2  LYS  13           HG2      LYS  13  10.229  10.826 -15.406
  107    HG3  LYS  13           HG3      LYS  13   9.870   9.276 -14.640
  108    HD2  LYS  13           HD2      LYS  13   7.688  11.249 -14.565
  109    HD3  LYS  13           HD3      LYS  13   8.121  10.667 -16.176
  110    HE2  LYS  13           HE2      LYS  13   7.766   8.700 -13.960
  111    HE3  LYS  13           HE3      LYS  13   6.339   9.404 -14.720
  112    HZ1  LYS  13           HZ1      LYS  13   8.510   8.098 -16.259
  113    HZ2  LYS  13           HZ2      LYS  13   6.974   8.541 -16.811
  114    HZ3  LYS  13           HZ3      LYS  13   7.141   7.267 -15.709
  115    H    ARG  14           H        ARG  14  10.638  12.575 -11.545
  116    HA   ARG  14           HA       ARG  14  13.240  13.586 -12.056
  117    HB2  ARG  14           HB2      ARG  14  10.786  14.661 -11.317
  118    HB3  ARG  14           HB3      ARG  14  11.815  14.958  -9.921
  119    HG2  ARG  14           HG2      ARG  14  13.450  16.067 -11.366
  120    HG3  ARG  14           HG3      ARG  14  12.406  15.778 -12.759
  121    HD2  ARG  14           HD2      ARG  14  10.625  17.001 -11.257
  122    HD3  ARG  14           HD3      ARG  14  12.060  17.661 -10.475
  123    HE   ARG  14           HE       ARG  14  12.378  18.995 -12.299
  124   HH11  ARG  14          HH11      ARG  14   9.936  17.000 -14.765
  125   HH12  ARG  14          HH12      ARG  14  10.270  16.371 -13.186
  126   HH21  ARG  14          HH21      ARG  14  10.892  18.969 -15.441
  127   HH22  ARG  14          HH22      ARG  14  11.948  19.833 -14.376
  128    H    MK8  15           H2       MK8  15  11.968  11.585  -9.490
  129    HB   MK8  15           HB       MK8  15  12.029  10.089  -7.280
  130    HBA  MK8  15           HBA      MK8  15  12.906   9.373  -8.602
  131    HD   MK8  15           HD       MK8  15  14.450   7.419  -7.799
  132    HDA  MK8  15           HDA      MK8  15  15.574   8.736  -8.017
  133    HE   MK8  15           HE       MK8  15  15.355   7.121  -5.416
  134    HG   MK8  15           HG       MK8  15  14.388   9.860  -5.966
  135    HGA  MK8  15           HGA      MK8  15  13.225   8.566  -6.063
  136    HB1  MK8  15           HB1      MK8  15  12.378  12.382  -6.516
  137   HB1A  MK8  15          HB1A      MK8  15  14.029  12.023  -6.001
  138   HB1B  MK8  15          HB1B      MK8  15  13.717  13.364  -7.096
  139    H    ALA  16           H        ALA  16  14.331  10.263 -10.091
  140    HA   ALA  16           HA       ALA  16  16.955   9.570  -9.680
  141    HB1  ALA  16           HB1      ALA  16  17.170   9.314 -12.050
  142    HB2  ALA  16           HB2      ALA  16  15.530   8.855 -11.591
  143    HB3  ALA  16           HB3      ALA  16  15.829  10.423 -12.340
  144    H    TYR  17           H        TYR  17  15.731  12.591 -11.089
  145    HA   TYR  17           HA       TYR  17  18.187  13.756 -11.717
  146    HB2  TYR  17           HB2      TYR  17  15.567  14.503 -11.964
  147    HB3  TYR  17           HB3      TYR  17  16.139  15.624 -10.733
  148    HD1  TYR  17           HD1      TYR  17  17.181  17.587 -11.394
  149    HD2  TYR  17           HD2      TYR  17  17.074  14.303 -14.096
  150    HE1  TYR  17           HE1      TYR  17  18.183  19.000 -13.141
  151    HE2  TYR  17           HE2      TYR  17  18.076  15.705 -15.850
  152    HH   TYR  17           HH       TYR  17  18.745  19.143 -15.297
  153    H    SER  18           H        SER  18  16.273  13.948  -8.734
  154    HA   SER  18           HA       SER  18  17.851  15.747  -7.324
  155    HB2  SER  18           HB2      SER  18  15.570  14.538  -6.733
  156    HB3  SER  18           HB3      SER  18  16.637  13.435  -5.866
  157    HG   SER  18           HG       SER  18  17.261  15.049  -4.548
  158    H    MK8  19           H2       MK8  19  18.282  12.259  -7.846
  159    HB   MK8  19           HB       MK8  19  19.666  10.241  -8.514
  160    HBA  MK8  19           HBA      MK8  19  20.771   9.696  -7.296
  161    HD   MK8  19           HD       MK8  19  17.763   8.398  -8.141
  162    HDA  MK8  19           HDA      MK8  19  19.056   7.632  -7.255
  163    HE   MK8  19           HE       MK8  19  17.696   7.191  -5.318
  164    HG   MK8  19           HG       MK8  19  19.009   9.528  -5.603
  165    HGA  MK8  19           HGA      MK8  19  17.843  10.351  -6.618
  166    HB1  MK8  19           HB1      MK8  19  21.308  10.952  -5.327
  167   HB1A  MK8  19          HB1A      MK8  19  20.951  12.655  -5.177
  168   HB1B  MK8  19          HB1B      MK8  19  19.676  11.509  -4.899
  169    H    LEU  20           H        LEU  20  20.214  12.696  -9.365
  170    HA   LEU  20           HA       LEU  20  22.826  12.950 -10.194
  171    HB2  LEU  20           HB2      LEU  20  20.507  13.309 -11.403
  172    HB3  LEU  20           HB3      LEU  20  20.864  15.005 -11.079
  173    HG   LEU  20           HG       LEU  20  21.599  14.590 -13.278
  174   HD11  LEU  20          HD11      LEU  20  24.148  14.247 -11.746
  175   HD12  LEU  20          HD12      LEU  20  23.201  15.730 -11.618
  176   HD13  LEU  20          HD13      LEU  20  23.833  15.218 -13.184
  177   HD21  LEU  20          HD21      LEU  20  21.824  11.973 -12.510
  178   HD22  LEU  20          HD22      LEU  20  23.507  12.446 -12.736
  179   HD23  LEU  20          HD23      LEU  20  22.353  12.634 -14.056
  180    H    GLY  21           H        GLY  21  20.778  15.551  -8.859
  181    HA2  GLY  21           HA2      GLY  21  22.880  17.459  -8.769
  182    HA3  GLY  21           HA3      GLY  21  21.337  17.584  -7.941
  183    H    LEU  22           H        LEU  22  22.349  14.737  -6.893
  184    HA   LEU  22           HA       LEU  22  24.016  15.848  -4.736
  185    HB2  LEU  22           HB2      LEU  22  21.416  15.018  -4.444
  186    HB3  LEU  22           HB3      LEU  22  22.330  13.588  -3.972
  187    HG   LEU  22           HG       LEU  22  21.724  14.968  -2.044
  188   HD11  LEU  22          HD11      LEU  22  23.839  14.957  -0.982
  189   HD12  LEU  22          HD12      LEU  22  24.688  15.149  -2.516
  190   HD13  LEU  22          HD13      LEU  22  23.857  13.637  -2.152
  191   HD21  LEU  22          HD21      LEU  22  21.854  17.126  -3.429
  192   HD22  LEU  22          HD22      LEU  22  23.579  17.094  -3.061
  193   HD23  LEU  22          HD23      LEU  22  22.399  17.181  -1.754
  194    H    LYS  23           H        LYS  23  24.874  14.488  -7.116
  195    HA   LYS  23           HA       LYS  23  26.268  12.252  -5.847
  196    HB2  LYS  23           HB2      LYS  23  24.319  11.332  -7.107
  197    HB3  LYS  23           HB3      LYS  23  24.982  12.038  -8.576
  198    HG2  LYS  23           HG2      LYS  23  26.322  10.302  -8.880
  199    HG3  LYS  23           HG3      LYS  23  26.970  10.444  -7.245
  200    HD2  LYS  23           HD2      LYS  23  26.020   8.378  -7.083
  201    HD3  LYS  23           HD3      LYS  23  24.626   9.360  -6.629
  202    HE2  LYS  23           HE2      LYS  23  23.699   9.190  -8.815
  203    HE3  LYS  23           HE3      LYS  23  25.178   8.476  -9.455
  204    HZ1  LYS  23           HZ1      LYS  23  24.484   6.466  -8.876
  205    HZ2  LYS  23           HZ2      LYS  23  22.981   7.136  -8.484
  206    HZ3  LYS  23           HZ3      LYS  23  24.161   6.949  -7.286
  207    H    ASP  24           H        ASP  24  25.984  14.325  -8.710
  208    HA   ASP  24           HA       ASP  24  28.613  13.841  -9.661
  209    HB2  ASP  24           HB2      ASP  24  26.340  15.302 -10.514
  210    HB3  ASP  24           HB3      ASP  24  27.688  16.435 -10.458
  211    H    GLN  25           H        GLN  25  27.209  16.261  -7.520
  212    HA   GLN  25           HA       GLN  25  29.526  17.894  -7.351
  213    HB2  GLN  25           HB2      GLN  25  27.292  18.730  -6.782
  214    HB3  GLN  25           HB3      GLN  25  27.210  17.612  -5.427
  215    HG2  GLN  25           HG2      GLN  25  29.491  19.504  -5.534
  216    HG3  GLN  25           HG3      GLN  25  27.900  20.140  -5.122
  217   HE21  GLN  25          HE21      GLN  25  30.674  18.743  -3.936
  218   HE22  GLN  25          HE22      GLN  25  30.090  18.253  -2.387
  219    H    VAL  26           H        VAL  26  28.082  15.820  -4.830
  220    HA   VAL  26           HA       VAL  26  30.281  15.817  -3.124
  221    HB   VAL  26           HB       VAL  26  28.248  13.609  -3.472
  222   HG11  VAL  26          HG11      VAL  26  30.404  14.120  -1.502
  223   HG12  VAL  26          HG12      VAL  26  28.868  13.505  -0.887
  224   HG13  VAL  26          HG13      VAL  26  29.758  12.594  -2.108
  225   HG21  VAL  26          HG21      VAL  26  28.226  16.057  -1.712
  226   HG22  VAL  26          HG22      VAL  26  27.144  15.717  -3.061
  227   HG23  VAL  26          HG23      VAL  26  27.074  14.727  -1.603
  228    HN1  NH2  27           HN1      NH2  27  29.283  13.185  -5.349
  229    HN2  NH2  27           HN2      NH2  27  30.872  12.537  -5.579
  Start of MODEL   20
    1    H1   ACE   1           H1       ACE   1 -15.179  19.043 -18.397
    2    H2   ACE   1           H2       ACE   1 -14.137  20.295 -17.677
    3    H3   ACE   1           H3       ACE   1 -13.491  18.663 -17.980
    4    H    LYS   2           H        LYS   2 -13.106  17.774 -16.121
    5    HA   LYS   2           HA       LYS   2 -14.551  18.357 -13.737
    6    HB2  LYS   2           HB2      LYS   2 -16.040  16.744 -15.147
    7    HB3  LYS   2           HB3      LYS   2 -14.893  15.514 -14.634
    8    HG2  LYS   2           HG2      LYS   2 -15.509  16.796 -12.284
    9    HG3  LYS   2           HG3      LYS   2 -17.043  16.797 -13.157
   10    HD2  LYS   2           HD2      LYS   2 -15.397  14.302 -12.980
   11    HD3  LYS   2           HD3      LYS   2 -16.444  14.779 -11.641
   12    HE2  LYS   2           HE2      LYS   2 -18.382  14.630 -12.970
   13    HE3  LYS   2           HE3      LYS   2 -17.450  14.585 -14.465
   14    HZ1  LYS   2           HZ1      LYS   2 -16.851  12.398 -14.126
   15    HZ2  LYS   2           HZ2      LYS   2 -18.438  12.413 -13.543
   16    HZ3  LYS   2           HZ3      LYS   2 -17.138  12.450 -12.459
   17    H    ARG   3           H        ARG   3 -11.860  18.439 -14.419
   18    HA   ARG   3           HA       ARG   3 -10.506  16.081 -13.507
   19    HB2  ARG   3           HB2      ARG   3  -8.475  17.455 -13.657
   20    HB3  ARG   3           HB3      ARG   3  -9.446  17.573 -15.119
   21    HG2  ARG   3           HG2      ARG   3  -9.958  19.760 -14.770
   22    HG3  ARG   3           HG3      ARG   3  -9.880  19.613 -13.014
   23    HD2  ARG   3           HD2      ARG   3  -7.623  19.949 -12.948
   24    HD3  ARG   3           HD3      ARG   3  -7.364  19.248 -14.545
   25    HE   ARG   3           HE       ARG   3  -8.797  21.670 -14.769
   26   HH11  ARG   3          HH11      ARG   3  -4.799  21.854 -14.650
   27   HH12  ARG   3          HH12      ARG   3  -5.616  20.438 -14.075
   28   HH21  ARG   3          HH21      ARG   3  -6.005  23.618 -15.475
   29   HH22  ARG   3          HH22      ARG   3  -7.735  23.540 -15.528
   30    H    ILE   4           H        ILE   4  -8.818  16.340 -11.706
   31    HA   ILE   4           HA       ILE   4 -10.242  17.253  -9.332
   32    HB   ILE   4           HB       ILE   4  -9.246  14.971  -9.402
   33   HG12  ILE   4          HG12      ILE   4  -7.667  16.061  -7.230
   34   HG13  ILE   4          HG13      ILE   4  -9.235  16.855  -7.327
   35   HG21  ILE   4          HG21      ILE   4  -6.854  14.684  -9.222
   36   HG22  ILE   4          HG22      ILE   4  -7.233  15.579 -10.691
   37   HG23  ILE   4          HG23      ILE   4  -6.610  16.429  -9.277
   38   HD11  ILE   4          HD11      ILE   4  -9.388  13.957  -7.570
   39   HD12  ILE   4          HD12      ILE   4  -8.715  14.510  -6.038
   40   HD13  ILE   4          HD13      ILE   4 -10.307  15.065  -6.553
   41    H    GLY   5           H        GLY   5  -7.438  18.027 -11.248
   42    HA2  GLY   5           HA2      GLY   5  -7.118  20.613 -10.501
   43    HA3  GLY   5           HA3      GLY   5  -6.251  19.739  -9.248
   44    H    VAL   6           H        VAL   6  -4.985  21.554 -10.925
   45    HA   VAL   6           HA       VAL   6  -3.725  20.245 -13.129
   46    HB   VAL   6           HB       VAL   6  -3.957  22.689 -13.052
   47   HG11  VAL   6          HG11      VAL   6  -3.290  22.568 -10.467
   48   HG12  VAL   6          HG12      VAL   6  -1.716  22.989 -11.144
   49   HG13  VAL   6          HG13      VAL   6  -3.108  24.032 -11.433
   50   HG21  VAL   6          HG21      VAL   6  -2.015  21.384 -14.204
   51   HG22  VAL   6          HG22      VAL   6  -1.964  23.146 -14.120
   52   HG23  VAL   6          HG23      VAL   6  -1.014  22.182 -12.988
   53    H    ARG   7           H        ARG   7  -3.020  20.602  -9.731
   54    HA   ARG   7           HA       ARG   7  -0.284  19.949  -9.784
   55    HB2  ARG   7           HB2      ARG   7  -1.748  20.870  -7.849
   56    HB3  ARG   7           HB3      ARG   7  -2.099  19.177  -7.521
   57    HG2  ARG   7           HG2      ARG   7  -0.055  18.778  -6.673
   58    HG3  ARG   7           HG3      ARG   7   0.750  19.838  -7.832
   59    HD2  ARG   7           HD2      ARG   7  -0.550  21.688  -6.421
   60    HD3  ARG   7           HD3      ARG   7  -0.413  20.450  -5.173
   61    HE   ARG   7           HE       ARG   7   1.704  22.063  -6.255
   62   HH11  ARG   7          HH11      ARG   7   2.493  18.865  -3.980
   63   HH12  ARG   7          HH12      ARG   7   0.917  19.065  -4.669
   64   HH21  ARG   7          HH21      ARG   7   4.123  20.429  -4.367
   65   HH22  ARG   7          HH22      ARG   7   3.784  21.811  -5.352
   66    H    LEU   8           H        LEU   8   0.501  18.163 -10.692
   67    HA   LEU   8           HA       LEU   8  -1.011  15.723 -10.833
   68    HB2  LEU   8           HB2      LEU   8   1.558  16.732 -11.878
   69    HB3  LEU   8           HB3      LEU   8   1.457  14.991 -11.626
   70    HG   LEU   8           HG       LEU   8  -0.840  15.460 -13.004
   71   HD11  LEU   8          HD11      LEU   8  -0.528  17.025 -14.711
   72   HD12  LEU   8          HD12      LEU   8   1.190  17.203 -14.359
   73   HD13  LEU   8          HD13      LEU   8  -0.011  17.863 -13.249
   74   HD21  LEU   8          HD21      LEU   8   0.618  13.675 -13.545
   75   HD22  LEU   8          HD22      LEU   8   1.923  14.779 -13.979
   76   HD23  LEU   8          HD23      LEU   8   0.485  14.670 -14.996
   77    HA   PRO   9           HA       PRO   9   0.459  13.589  -7.293
   78    HB2  PRO   9           HB2      PRO   9   0.833  11.071  -8.237
   79    HB3  PRO   9           HB3      PRO   9  -0.769  11.776  -7.989
   80    HG2  PRO   9           HG2      PRO   9   0.813  11.510 -10.516
   81    HG3  PRO   9           HG3      PRO   9  -0.914  11.220 -10.242
   82    HD2  PRO   9           HD2      PRO   9   0.021  13.499 -11.367
   83    HD3  PRO   9           HD3      PRO   9  -1.435  13.462 -10.353
   84    H    GLY  10           H        GLY  10   2.239  11.937  -6.596
   85    HA2  GLY  10           HA2      GLY  10   4.769  13.046  -7.533
   86    HA3  GLY  10           HA3      GLY  10   4.530  12.072  -6.091
   87    H    HIS  11           H        HIS  11   5.777  12.088  -9.167
   88    HA   HIS  11           HA       HIS  11   5.492   9.188  -9.515
   89    HB2  HIS  11           HB2      HIS  11   6.173  11.445 -11.364
   90    HB3  HIS  11           HB3      HIS  11   6.703   9.814 -11.759
   91    HD1  HIS  11           HD1      HIS  11   3.576  11.853 -11.280
   92    HD2  HIS  11           HD2      HIS  11   4.735   8.132 -12.721
   93    HE1  HIS  11           HE1      HIS  11   1.537  10.902 -12.406
   94    H    GLN  12           H        GLN  12   7.591   8.250 -10.637
   95    HA   GLN  12           HA       GLN  12   9.859   9.009  -8.919
   96    HB2  GLN  12           HB2      GLN  12  10.615   6.655  -9.170
   97    HB3  GLN  12           HB3      GLN  12   9.064   6.805  -8.353
   98    HG2  GLN  12           HG2      GLN  12   8.997   6.409 -11.280
   99    HG3  GLN  12           HG3      GLN  12   9.522   5.044 -10.297
  100   HE21  GLN  12          HE21      GLN  12   8.073   4.056  -8.916
  101   HE22  GLN  12          HE22      GLN  12   6.371   4.338  -8.997
  102    H    LYS  13           H        LYS  13   9.588  10.451 -11.191
  103    HA   LYS  13           HA       LYS  13  11.496   9.258 -13.088
  104    HB2  LYS  13           HB2      LYS  13   9.121  10.930 -13.408
  105    HB3  LYS  13           HB3      LYS  13  10.514  11.544 -14.290
  106    HG2  LYS  13           HG2      LYS  13  10.726   9.524 -15.524
  107    HG3  LYS  13           HG3      LYS  13   9.542   8.706 -14.501
  108    HD2  LYS  13           HD2      LYS  13   8.215  10.961 -15.447
  109    HD3  LYS  13           HD3      LYS  13   9.135  10.371 -16.834
  110    HE2  LYS  13           HE2      LYS  13   7.500   8.505 -15.150
  111    HE3  LYS  13           HE3      LYS  13   6.758   9.451 -16.439
  112    HZ1  LYS  13           HZ1      LYS  13   7.699   8.190 -18.016
  113    HZ2  LYS  13           HZ2      LYS  13   7.867   7.042 -16.786
  114    HZ3  LYS  13           HZ3      LYS  13   9.170   8.041 -17.192
  115    H    ARG  14           H        ARG  14  10.654  12.391 -11.613
  116    HA   ARG  14           HA       ARG  14  13.230  13.508 -12.246
  117    HB2  ARG  14           HB2      ARG  14  10.731  14.554 -11.652
  118    HB3  ARG  14           HB3      ARG  14  11.688  14.939 -10.228
  119    HG2  ARG  14           HG2      ARG  14  13.352  16.041 -11.631
  120    HG3  ARG  14           HG3      ARG  14  12.406  15.641 -13.067
  121    HD2  ARG  14           HD2      ARG  14  10.637  16.895 -11.283
  122    HD3  ARG  14           HD3      ARG  14  12.120  17.847 -11.253
  123    HE   ARG  14           HE       ARG  14  10.247  17.641 -13.407
  124   HH11  ARG  14          HH11      ARG  14  13.913  19.123 -14.038
  125   HH12  ARG  14          HH12      ARG  14  13.586  18.210 -12.602
  126   HH21  ARG  14          HH21      ARG  14  12.249  19.484 -15.571
  127   HH22  ARG  14          HH22      ARG  14  10.664  18.842 -15.301
  128    H    MK8  15           H2       MK8  15  11.937  11.602  -9.662
  129    HB   MK8  15           HB       MK8  15  11.669  10.342  -7.787
  130    HBA  MK8  15           HBA      MK8  15  12.991   9.447  -8.476
  131    HD   MK8  15           HD       MK8  15  14.994  10.426  -5.711
  132    HDA  MK8  15           HDA      MK8  15  14.543   8.926  -4.943
  133    HE   MK8  15           HE       MK8  15  14.835   8.004  -7.560
  134    HG   MK8  15           HG       MK8  15  12.568  10.263  -5.566
  135    HGA  MK8  15           HGA      MK8  15  12.567   8.660  -6.246
  136    HB1  MK8  15           HB1      MK8  15  12.201  12.734  -6.749
  137   HB1A  MK8  15          HB1A      MK8  15  13.780  12.308  -6.089
  138   HB1B  MK8  15          HB1B      MK8  15  13.648  13.579  -7.295
  139    H    ALA  16           H        ALA  16  14.264  10.319 -10.059
  140    HA   ALA  16           HA       ALA  16  16.868   9.620  -9.553
  141    HB1  ALA  16           HB1      ALA  16  15.141   9.409 -11.707
  142    HB2  ALA  16           HB2      ALA  16  16.523  10.297 -12.349
  143    HB3  ALA  16           HB3      ALA  16  16.763   8.724 -11.587
  144    H    TYR  17           H        TYR  17  15.656  12.656 -10.870
  145    HA   TYR  17           HA       TYR  17  18.170  13.746 -11.575
  146    HB2  TYR  17           HB2      TYR  17  15.548  14.502 -11.917
  147    HB3  TYR  17           HB3      TYR  17  16.130  15.689 -10.756
  148    HD1  TYR  17           HD1      TYR  17  17.116  17.612 -11.569
  149    HD2  TYR  17           HD2      TYR  17  17.177  14.103 -13.975
  150    HE1  TYR  17           HE1      TYR  17  18.166  18.886 -13.392
  151    HE2  TYR  17           HE2      TYR  17  18.229  15.368 -15.804
  152    HH   TYR  17           HH       TYR  17  19.798  17.937 -15.598
  153    H    SER  18           H        SER  18  16.241  13.840  -8.626
  154    HA   SER  18           HA       SER  18  17.736  15.769  -7.237
  155    HB2  SER  18           HB2      SER  18  16.540  15.124  -5.322
  156    HB3  SER  18           HB3      SER  18  15.446  14.714  -6.644
  157    HG   SER  18           HG       SER  18  16.748  13.077  -4.858
  158    H    MK8  19           H2       MK8  19  18.122  12.228  -7.523
  159    HB   MK8  19           HB       MK8  19  19.311  10.329  -8.213
  160    HBA  MK8  19           HBA      MK8  19  20.815   9.887  -7.469
  161    HD   MK8  19           HD       MK8  19  17.390   9.277  -5.036
  162    HDA  MK8  19           HDA      MK8  19  17.392  10.612  -6.164
  163    HE   MK8  19           HE       MK8  19  17.208   8.123  -7.732
  164    HG   MK8  19           HG       MK8  19  19.244   8.299  -6.738
  165    HGA  MK8  19           HGA      MK8  19  19.635   9.253  -5.356
  166    HB1  MK8  19           HB1      MK8  19  20.648  12.728  -4.842
  167   HB1A  MK8  19          HB1A      MK8  19  19.503  11.430  -4.652
  168   HB1B  MK8  19          HB1B      MK8  19  21.201  11.068  -5.011
  169    H    LEU  20           H        LEU  20  20.046  12.623  -9.053
  170    HA   LEU  20           HA       LEU  20  22.655  12.758  -9.925
  171    HB2  LEU  20           HB2      LEU  20  20.317  13.156 -11.108
  172    HB3  LEU  20           HB3      LEU  20  20.766  14.845 -10.878
  173    HG   LEU  20           HG       LEU  20  21.437  14.288 -13.063
  174   HD11  LEU  20          HD11      LEU  20  23.711  14.780 -13.037
  175   HD12  LEU  20          HD12      LEU  20  23.991  13.873 -11.551
  176   HD13  LEU  20          HD13      LEU  20  23.135  15.414 -11.495
  177   HD21  LEU  20          HD21      LEU  20  21.729  11.682 -12.001
  178   HD22  LEU  20          HD22      LEU  20  23.279  12.148 -12.703
  179   HD23  LEU  20          HD23      LEU  20  21.815  12.195 -13.685
  180    H    GLY  21           H        GLY  21  20.706  15.451  -8.631
  181    HA2  GLY  21           HA2      GLY  21  22.743  17.383  -8.712
  182    HA3  GLY  21           HA3      GLY  21  21.328  17.442  -7.674
  183    H    LEU  22           H        LEU  22  22.406  14.675  -6.685
  184    HA   LEU  22           HA       LEU  22  24.042  15.858  -4.568
  185    HB2  LEU  22           HB2      LEU  22  22.016  14.532  -3.998
  186    HB3  LEU  22           HB3      LEU  22  22.799  13.117  -4.699
  187    HG   LEU  22           HG       LEU  22  24.656  13.922  -2.873
  188   HD11  LEU  22          HD11      LEU  22  23.803  15.041  -1.150
  189   HD12  LEU  22          HD12      LEU  22  22.362  14.026  -1.102
  190   HD13  LEU  22          HD13      LEU  22  22.429  15.408  -2.195
  191   HD21  LEU  22          HD21      LEU  22  23.973  11.650  -3.163
  192   HD22  LEU  22          HD22      LEU  22  22.351  12.006  -2.570
  193   HD23  LEU  22          HD23      LEU  22  23.729  12.079  -1.469
  194    H    LYS  23           H        LYS  23  24.209  13.663  -7.236
  195    HA   LYS  23           HA       LYS  23  26.620  12.348  -6.421
  196    HB2  LYS  23           HB2      LYS  23  25.089  11.238  -7.944
  197    HB3  LYS  23           HB3      LYS  23  25.260  12.540  -9.113
  198    HG2  LYS  23           HG2      LYS  23  27.001  11.536 -10.033
  199    HG3  LYS  23           HG3      LYS  23  27.845  11.508  -8.483
  200    HD2  LYS  23           HD2      LYS  23  26.100   9.495  -8.101
  201    HD3  LYS  23           HD3      LYS  23  26.304   9.390  -9.850
  202    HE2  LYS  23           HE2      LYS  23  28.022   8.044  -9.185
  203    HE3  LYS  23           HE3      LYS  23  28.858   9.596  -9.206
  204    HZ1  LYS  23           HZ1      LYS  23  28.526   7.853  -7.055
  205    HZ2  LYS  23           HZ2      LYS  23  27.649   9.254  -6.697
  206    HZ3  LYS  23           HZ3      LYS  23  29.297   9.359  -7.064
  207    H    ASP  24           H        ASP  24  25.835  14.961  -8.688
  208    HA   ASP  24           HA       ASP  24  28.448  15.388  -9.637
  209    HB2  ASP  24           HB2      ASP  24  27.629  17.367 -10.615
  210    HB3  ASP  24           HB3      ASP  24  26.234  16.292 -10.572
  211    H    GLN  25           H        GLN  25  26.818  16.415  -6.735
  212    HA   GLN  25           HA       GLN  25  28.688  18.461  -6.040
  213    HB2  GLN  25           HB2      GLN  25  26.219  17.992  -5.208
  214    HB3  GLN  25           HB3      GLN  25  27.054  17.065  -3.968
  215    HG2  GLN  25           HG2      GLN  25  28.244  18.999  -3.228
  216    HG3  GLN  25           HG3      GLN  25  27.641  19.950  -4.582
  217   HE21  GLN  25          HE21      GLN  25  25.175  19.988  -4.703
  218   HE22  GLN  25          HE22      GLN  25  24.350  20.264  -3.210
  219    H    VAL  26           H        VAL  26  28.167  15.120  -4.936
  220    HA   VAL  26           HA       VAL  26  30.408  15.105  -3.181
  221    HB   VAL  26           HB       VAL  26  28.941  12.765  -4.408
  222   HG11  VAL  26          HG11      VAL  26  29.884  11.926  -1.995
  223   HG12  VAL  26          HG12      VAL  26  30.674  11.625  -3.544
  224   HG13  VAL  26          HG13      VAL  26  31.191  12.978  -2.538
  225   HG21  VAL  26          HG21      VAL  26  28.556  13.935  -1.662
  226   HG22  VAL  26          HG22      VAL  26  27.576  14.408  -3.051
  227   HG23  VAL  26          HG23      VAL  26  27.559  12.736  -2.486
  228    HN1  NH2  27           HN1      NH2  27  32.478  14.364  -3.456
  229    HN2  NH2  27           HN2      NH2  27  33.154  13.938  -4.993