*HEADER    SIGNALING PROTEIN                       12-MAY-17   5NZ9              
*TITLE     NMR STRUCTURE OF AN EPHA2-SAM FRAGMENT                                
*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)                                                        
*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, TFE NMR, SIGNALING PROTEIN               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    F.A.MERCURIO,M.LEONE                                                  
*REVDAT   1   20-DEC-17 5NZ9    0                                                
# Restraints file 1: sam13.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   105.0
   3 ARG   PHI      45.0   275.0
   3 ARG   PHI    -185.0    65.0
   3 ARG   CHI1   -175.0   -25.0
   3 ARG   CHI2   -325.0   -35.0
   3 ARG   PSI       5.0   105.0
   3 ARG   PSI    -295.0    45.0
   4 ILE   PHI    -155.0   -45.0
   4 ILE   CHI1   -195.0   -25.0
   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   125.0
   5 GLY   PHI    -315.0   -45.0
   5 GLY   PSI    -285.0    45.0
   5 GLY   PSI    -135.0   135.0
   5 GLY   PSI     -45.0   285.0
   6 VAL   PHI    -165.0   -45.0
   6 VAL   CHI1     45.0   205.0
   6 VAL   CHI1   -195.0    85.0
   6 VAL   PSI     -75.0   105.0
   7 ARG   PHI      45.0   305.0
   7 ARG   PHI    -175.0    65.0
   7 ARG   CHI1   -335.0   -25.0
   7 ARG   CHI1   -165.0    95.0
   7 ARG   CHI2   -325.0   -35.0
   7 ARG   PSI     -25.0    85.0
   8 LEU   PHI    -145.0   -45.0
   8 LEU   CHI1   -335.0   -15.0
   8 LEU   CHI1   -115.0    85.0
   8 LEU   CHI1    -55.0   285.0
   8 LEU   CHI1    -25.0   325.0
   8 LEU   CHI2   -315.0   -45.0
   8 LEU   CHI2    -75.0   185.0
   8 LEU   PSI     145.0   165.0
   9 PRO   PSI    -235.0   -25.0
   9 PRO   PSI     -35.0   195.0
  10 GLY   PHI    -315.0   -45.0
  10 GLY   PSI    -135.0   135.0
  11 HIS   PHI    -185.0   -45.0
  11 HIS   CHI1   -325.0   -35.0
  11 HIS   CHI1   -205.0    75.0
  11 HIS   PSI     -85.0    15.0
  12 GLN   PHI    -185.0   -45.0
  12 GLN   CHI1   -315.0   -25.0
  12 GLN   CHI1   -205.0    55.0
  12 GLN   CHI2   -345.0   -15.0
  12 GLN   PSI     -85.0    -5.0
  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   105.0
  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   195.0
  15 ILE   PHI    -155.0   -45.0
  15 ILE   CHI1   -335.0   -25.0
  15 ILE   CHI1    -75.0    45.0
  15 ILE   CHI21  -285.0   -45.0
  15 ILE   CHI21   -85.0   195.0
  15 ILE   PSI     -85.0    -5.0
  16 ALA   PHI    -315.0   -45.0
  16 ALA   PHI    -185.0    75.0
  16 ALA   PSI     -85.0    95.0
  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
  19 LEU   PHI    -315.0   -45.0
  19 LEU   PHI    -185.0    65.0
  19 LEU   CHI1   -335.0   -25.0
  19 LEU   CHI1   -215.0   105.0
  19 LEU   CHI2   -325.0   -35.0
  19 LEU   CHI2    -85.0   205.0
  19 LEU   PSI     -85.0    95.0
  20 LEU   PHI    -315.0   -45.0
  20 LEU   PHI    -185.0    75.0
  20 LEU   CHI1   -355.0    -5.0
  20 LEU   CHI1   -215.0   105.0
  20 LEU   CHI2   -325.0   -35.0
  20 LEU   CHI2    -95.0   205.0
  20 LEU   PSI     -85.0   105.0
  21 GLY   PHI    -315.0   -45.0
  21 GLY   PSI    -105.0   105.0
  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    95.0
  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    95.0
  24 ASP   PHI    -175.0   -45.0
  24 ASP   CHI1   -225.0   -85.0
  24 ASP   PSI     -85.0    25.0
  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     -45.0   105.0
  26 VAL   PHI    -315.0   -45.0
  26 VAL   PHI    -185.0    65.0
  26 VAL   CHI1     45.0   295.0
  26 VAL   CHI1   -195.0    85.0
  26 VAL   CHI1    -75.0   205.0
  26 VAL   PSI     -85.0   185.0
# Restraints file 2: sam13.upl
  6 VAL  H       6 VAL  HB      3.21            #peak     4
  5 GLY  H       6 VAL  H       3.70            #peak    22
  5 GLY  HA2     6 VAL  H       3.33            #peak    25
  5 GLY  HA3     6 VAL  H       3.33            #peak    26
 26 VAL  H      26 VAL  HB      3.39            #peak    39
 25 GLN  H      25 GLN  HB2     3.64            #peak    62
 25 GLN  H      25 GLN  HB3     3.64            #peak    63
 25 GLN  H      26 VAL  H       3.39            #peak    64
 25 GLN  HA     26 VAL  H       3.33            #peak    87
 24 ASP  H      25 GLN  H       3.30            #peak    90
 24 ASP  H      24 ASP  HB2     3.27            #peak    92
 24 ASP  H      24 ASP  HB3     3.27            #peak    93
 23 LYS  H      24 ASP  H       3.21            #peak   130
 11 HIS  H      11 HIS  HA      2.93            #peak   134
 11 HIS  H      11 HIS  HB2     3.48            #peak   135
 11 HIS  H      11 HIS  HB3     3.48            #peak   136
 11 HIS  HA     11 HIS  HB2     3.02            #peak   139
 11 HIS  HA     11 HIS  HB3     3.02            #peak   140
 11 HIS  H      12 GLN  H       3.83            #peak   153
 12 GLN  H      12 GLN  HB2     3.89            #peak   161
 12 GLN  H      12 GLN  HB3     3.89            #peak   162
 11 HIS  HB2    12 GLN  H       3.98            #peak   184
 11 HIS  HB3    12 GLN  H       3.98            #peak   185
 24 ASP  HA     25 GLN  H       3.48            #peak   186
 24 ASP  HB2    25 GLN  H       4.11            #peak   187
 24 ASP  HB3    25 GLN  H       4.11            #peak   188
 13 LYS  H      13 LYS  QB      4.15            #peak   190
 12 GLN  HB3    13 LYS  H       3.70            #peak   192
 12 GLN  HB2    13 LYS  H       3.70            #peak   193
 12 GLN  HA     13 LYS  H       3.48            #peak   195
 12 GLN  H      13 LYS  H       3.55            #peak   215
 16 ALA  H      17 TYR  H       3.08            #peak   228
 17 TYR  H      17 TYR  QB      3.96            #peak   230
 17 TYR  QB     18 SER  H       4.27            #peak   254
 17 TYR  HA     18 SER  H       3.42            #peak   255
 17 TYR  H      18 SER  H       3.36            #peak   256
 10 GLY  HA2    11 HIS  H       3.39            #peak   263
 10 GLY  HA3    11 HIS  H       3.39            #peak   264
  9 PRO  HA     10 GLY  H       3.30            #peak   303
  9 PRO  HB2    10 GLY  H       4.14            #peak   304
  9 PRO  HB3    10 GLY  H       4.14            #peak   307
 11 HIS  HA     12 GLN  H       3.42            #peak   309
  8 LEU  H       8 LEU  HB2     3.52            #peak   312
  8 LEU  H       8 LEU  HB3     3.52            #peak   313
  7 ARG  H       8 LEU  H       3.21            #peak   349
  6 VAL  H       7 ARG  H       3.61            #peak   351
  7 ARG  H       7 ARG  HB2     3.67            #peak   354
  7 ARG  H       7 ARG  HB3     3.67            #peak   355
  6 VAL  HA      7 ARG  H       3.42            #peak   390
  2 LYS  H       3 ARG  H       3.39            #peak   399
 21 GLY  H      22 LEU  H       3.11            #peak   898
 20 LEU  H      20 LEU  HB2     3.92            #peak   444
 20 LEU  H      20 LEU  HB3     3.92            #peak   445
  3 ARG  H       4 ILE  H       3.42            #peak   465
  4 ILE  H       5 GLY  H       3.92            #peak   466
  4 ILE  H       4 ILE  HB      3.17            #peak   469
  3 ARG  HA      4 ILE  H       3.05            #peak   505
  2 LYS  HA      3 ARG  H       3.42            #peak   549
 15 ILE  H      16 ALA  H       3.39            #peak   551
 15 ILE  H      15 ILE  HB      3.61            #peak   554
 22 LEU  H      23 LYS  H       3.17            #peak   602
  7 ARG  HA      8 LEU  H       3.21            #peak   604
 20 LEU  HA     21 GLY  H       3.42            #peak   605
 19 LEU  H      20 LEU  H       3.14            #peak   607
 19 LEU  H      19 LEU  HB3     3.42            #peak   610
 19 LEU  H      19 LEU  HB2     3.42            #peak   612
 23 LYS  HA     24 ASP  H       3.39            #peak   647
 13 LYS  H      14 ARG  H       3.39            #peak   650
 14 ARG  HA     17 TYR  QB      5.30            #peak   695
 18 SER  H      18 SER  HB3     3.89            #peak   696
 18 SER  HA     19 LEU  H       3.39            #peak   708
 22 LEU  HA     23 LYS  H       3.39            #peak   709
  3 ARG  H       3 ARG  HB2     3.61            #peak   711
  3 ARG  H       3 ARG  HB3     3.61            #peak   712
 20 LEU  HA     22 LEU  H       4.54            #peak   751
 14 ARG  HA     15 ILE  H       3.39            #peak   752
 11 HIS  HA     14 ARG  H       4.17            #peak   757
  4 ILE  HA      5 GLY  H       3.45            #peak   763
 15 ILE  HB     16 ALA  H       3.27            #peak   819
 22 LEU  H      24 ASP  H       5.04            #peak   900
 18 SER  H      18 SER  HB2     3.89            #peak   913
 11 HIS  HA     14 ARG  QB      4.95            #peak   927
 16 ALA  HA     19 LEU  HB3     4.48            #peak   928
 16 ALA  HA     19 LEU  HB2     4.48            #peak   929
 17 TYR  HA     20 LEU  HB3     4.11            #peak   932
 17 TYR  HA     20 LEU  HB2     4.11            #peak   933
 19 LEU  HA     22 LEU  HB2     4.07            #peak   936
 19 LEU  HA     22 LEU  HB3     4.07            #peak   937
 20 LEU  HA     23 LYS  QB      4.27            #peak   938
 13 LYS  HA     16 ALA  H       3.64            #peak   947
 14 ARG  HA     17 TYR  H       3.70            #peak   949
 13 LYS  HA     17 TYR  H       4.17            #peak   950
 15 ILE  HA     18 SER  H       3.83            #peak   951
 16 ALA  HA     19 LEU  H       3.89            #peak   953
 15 ILE  HA     19 LEU  H       4.07            #peak   954
 16 ALA  HA     20 LEU  H       4.66            #peak   955
 17 TYR  HA     20 LEU  H       3.73            #peak   956
 19 LEU  HA     21 GLY  H       5.16            #peak   957
 18 SER  HA     21 GLY  H       4.01            #peak   958
 18 SER  HA     22 LEU  H       4.51            #peak   960
 19 LEU  HA     22 LEU  H       3.67            #peak   961
 20 LEU  HA     23 LYS  H       3.67            #peak   962
 22 LEU  HA     25 GLN  H       3.79            #peak   964
 10 GLY  H      11 HIS  H       3.70            #peak   985
 18 SER  H      19 LEU  H       3.02            #peak   986
 20 LEU  H      21 GLY  H       3.33            #peak  1002
 12 GLN  HA     15 ILE  H       3.73            #peak  1003
 12 GLN  HA     15 ILE  HB      4.14            #peak  1005
 20 LEU  HA     24 ASP  H       3.76            #peak  1007
 22 LEU  HA     24 ASP  H       3.79            #peak  1008
 19 LEU  HA     23 LYS  H       3.92            #peak  1009
 17 TYR  HA     21 GLY  H       4.51            #peak  1010
 14 ARG  HA     18 SER  H       4.38            #peak  1011
 13 LYS  HA     17 TYR  QB      6.01            #peak  1013
 26 VAL  H      27 CON2 HN2     4.88            #peak    57
 26 VAL  HB     27 CON2 HN2     5.50            #peak    55
 25 GLN  H      25 GLN  QG      5.89            #peak    61
 23 LYS  H      23 LYS  QG      5.89            #peak   108
 12 GLN  H      12 GLN  QG      6.38            #peak   160
 13 LYS  H      13 LYS  HG2     4.72            #peak   191
 12 GLN  QG     13 LYS  H       6.38            #peak   194
 17 TYR  H      17 TYR  QD      7.63            #peak   242
 17 TYR  HA     17 TYR  QD      7.63            #peak   243
 17 TYR  QD     18 SER  H       7.63            #peak   257
  9 PRO  HG2    10 GLY  H       5.50            #peak   305
  9 PRO  HG3    10 GLY  H       5.50            #peak   306
  8 LEU  H       8 LEU  HG      3.95            #peak   314
  8 LEU  HB2     9 PRO  HD2     4.60            #peak   998
  8 LEU  HA      9 PRO  HD2     3.61            #peak   339
  8 LEU  HA      9 PRO  HD3     3.61            #peak   340
  8 LEU  HB3     9 PRO  HD3     4.60            #peak   341
  8 LEU  HB3     9 PRO  HD2     4.60            #peak   332
  7 ARG  H       7 ARG  HG2     4.38            #peak   356
  7 ARG  H       7 ARG  HG3     4.38            #peak   357
  7 ARG  HA      7 ARG  QD      6.38            #peak   364
  7 ARG  HA      7 ARG  HG2     3.95            #peak   378
  7 ARG  HA      7 ARG  HG3     3.95            #peak   382
  2 LYS  QB      2 LYS  QE      7.26            #peak   516
 15 ILE  H      15 ILE  HG12    5.50            #peak   555
 15 ILE  H      15 ILE  HG13    5.50            #peak   556
 15 ILE  HA     15 ILE  HG12    4.23            #peak   575
 15 ILE  HA     15 ILE  HG13    4.23            #peak   579
 13 LYS  QB     13 LYS  QE      7.26            #peak   635
 13 LYS  H      13 LYS  HG3     4.72            #peak   642
 23 LYS  H      23 LYS  QD      6.38            #peak   643
 14 ARG  H      14 ARG  QD      6.38            #peak   652
 14 ARG  HA     14 ARG  QD      6.38            #peak   665
 14 ARG  QB     14 ARG  HE      6.38            #peak   680
  3 ARG  H       3 ARG  HG2     5.07            #peak   713
  3 ARG  H       3 ARG  HG3     5.07            #peak   714
  3 ARG  HA      3 ARG  QD      6.38            #peak   726
 14 ARG  HA     17 TYR  QD      7.63            #peak   749
 13 LYS  HA     13 LYS  QD      6.38            #peak   829
 22 LEU  HA     25 GLN  QG      6.38            #peak   926
  8 LEU  HB2     9 PRO  HD3     4.60            #peak   999
  6 VAL  H       6 VAL  QQG     6.20            #peak     5
 26 VAL  H      26 VAL  QQG     6.98            #peak    40
 26 VAL  QQG    27 CON2 HN2     7.60            #peak    56
 16 ALA  H      16 ALA  QB      4.19            #peak   219
 16 ALA  QB     17 TYR  H       4.66            #peak   250
  8 LEU  H       8 LEU  QQD     6.64            #peak   315
  8 LEU  HA      8 LEU  QQD     6.29            #peak   324
  8 LEU  QQD     9 PRO  HD3     7.19            #peak   338
  8 LEU  QQD     9 PRO  HD2     7.19            #peak   334
  6 VAL  QQG     7 ARG  H       6.67            #peak   389
 22 LEU  H      22 LEU  QD1     6.52            #peak   407
 22 LEU  H      22 LEU  QD2     6.52            #peak   408
 22 LEU  HA     22 LEU  QD1     6.52            #peak   413
 22 LEU  HA     22 LEU  QD2     6.52            #peak   414
 20 LEU  H      20 LEU  QQD     7.60            #peak   446
  4 ILE  H       4 ILE  QG2     6.12            #peak   472
  4 ILE  HA      4 ILE  QD1     4.75            #peak   482
 15 ILE  H      15 ILE  QG2     6.08            #peak   557
 15 ILE  HA     15 ILE  QD1     6.52            #peak   586
 19 LEU  H      19 LEU  QD1     5.25            #peak   611
 16 ALA  QB     17 TYR  QB      7.40            #peak   691
 16 ALA  QB     17 TYR  QD      8.65            #peak   780
 14 ARG  HE     15 ILE  QD1     6.15            #peak   800
 14 ARG  HE     15 ILE  QG2     6.52            #peak   801
 15 ILE  QG2    16 ALA  H       6.05            #peak   818
 15 ILE  H      15 ILE  QD1     5.78            #peak   824
  4 ILE  H       4 ILE  QD1     6.52            #peak   825
  8 LEU  QQD     9 PRO  HA      7.60            #peak   851
  6 VAL  QQG     7 ARG  HA      7.60            #peak   853
 23 LYS  HA     26 VAL  QQG     7.60            #peak   854
  5 GLY  HA2     6 VAL  QQG     7.60            #peak   856
  5 GLY  HA3     6 VAL  QQG     7.60            #peak   857
  3 ARG  QD      4 ILE  QG2     7.40            #peak   862
  3 ARG  QD      4 ILE  QD1     7.40            #peak   863
 19 LEU  H      19 LEU  QD2     5.25            #peak   897
 16 ALA  QB     17 TYR  HA      6.52            #peak   925
 17 TYR  QD     20 LEU  QQD     9.72            #peak   966
 17 TYR  QE     20 LEU  QQD     9.73            #peak   967
 15 ILE  QG2    17 TYR  H       5.71            #peak   990
 15 ILE  QG2    16 ALA  HA      5.71            #peak   996
 13 LYS  HA     16 ALA  QB      5.46            #peak  1006
 17 TYR  QB     20 LEU  QQD     8.48            #peak  1014
  3 ARG  H       3 ARG  QG      4.41            #peak   713
  3 ARG  QB      4 ILE  H       3.97            #peak   805
  4 ILE  H       4 ILE  QG1     4.45            #peak   471
  7 ARG  H       7 ARG  QB      3.18            #peak   354
  7 ARG  H       7 ARG  QG      3.83            #peak   356
  8 LEU  H       8 LEU  QB      3.04            #peak   312
  8 LEU  H       9 PRO  QD      5.35            #peak   811
  8 LEU  HA      9 PRO  QD      3.07            #peak   339
  8 LEU  QB      9 PRO  QD      3.54            #peak   341
  8 LEU  QQD     9 PRO  QD      6.32            #peak   334
 11 HIS  QB     12 GLN  H       3.47            #peak   184
 13 LYS  H      13 LYS  QG      3.93            #peak   191
 13 LYS  QG     14 ARG  H       5.34            #peak   822
 14 ARG  HE     15 ILE  QG1     5.34            #peak   799
 15 ILE  H      15 ILE  QG1     4.83            #peak   556
 15 ILE  QG1    16 ALA  H       5.34            #peak   817
 16 ALA  HA     19 LEU  QB      3.92            #peak   929
 17 TYR  HA     20 LEU  QB      3.52            #peak   933
 18 SER  H      18 SER  QB      3.34            #peak   696
 18 SER  QB     19 LEU  H       3.61            #peak   755
 19 LEU  H      19 LEU  QB      2.99            #peak   610
 19 LEU  H      19 LEU  QQD     4.59            #peak   897
 20 LEU  H      20 LEU  QB      3.35            #peak   444
 22 LEU  H      22 LEU  QB      3.55            #peak   405
 22 LEU  QQD    23 LYS  QE      7.26            #peak   993
 24 ASP  QB     25 GLN  H       3.60            #peak   188
 25 GLN  QB     26 VAL  H       4.09            #peak   803
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           H1       ACE   1   0.000   0.000   0.000
    2    H2   ACE   1           H2       ACE   1   0.890   0.000  -1.542
    3    H3   ACE   1           H3       ACE   1   1.780  -0.000   0.000
    4    H    LYS   2           H        LYS   2   1.972   1.841   1.167
    5    HA   LYS   2           HA       LYS   2   1.068   4.312  -0.161
    6    HB2  LYS   2           HB2      LYS   2   1.296   5.340   2.150
    7    HB3  LYS   2           HB3      LYS   2  -0.036   4.212   1.929
    8    HG2  LYS   2           HG2      LYS   2   0.958   2.578   3.225
    9    HG3  LYS   2           HG3      LYS   2   2.576   3.250   3.012
   10    HD2  LYS   2           HD2      LYS   2   0.816   5.154   4.284
   11    HD3  LYS   2           HD3      LYS   2   0.861   3.634   5.180
   12    HE2  LYS   2           HE2      LYS   2   3.046   3.877   5.744
   13    HE3  LYS   2           HE3      LYS   2   3.455   4.698   4.239
   14    HZ1  LYS   2           HZ1      LYS   2   3.228   6.662   5.213
   15    HZ2  LYS   2           HZ2      LYS   2   3.103   5.862   6.698
   16    HZ3  LYS   2           HZ3      LYS   2   1.705   6.271   5.838
   17    H    ARG   3           H        ARG   3   3.433   3.020  -0.934
   18    HA   ARG   3           HA       ARG   3   5.614   4.458   0.359
   19    HB2  ARG   3           HB2      ARG   3   5.675   1.988  -0.413
   20    HB3  ARG   3           HB3      ARG   3   5.900   2.652  -2.026
   21    HG2  ARG   3           HG2      ARG   3   7.698   3.827  -0.066
   22    HG3  ARG   3           HG3      ARG   3   7.883   2.078  -0.215
   23    HD2  ARG   3           HD2      ARG   3   7.742   2.748  -2.813
   24    HD3  ARG   3           HD3      ARG   3   8.449   4.226  -2.162
   25    HE   ARG   3           HE       ARG   3   9.719   1.663  -2.412
   26   HH11  ARG   3          HH11      ARG   3  11.359   4.575  -0.208
   27   HH12  ARG   3          HH12      ARG   3   9.695   4.683  -0.680
   28   HH21  ARG   3          HH21      ARG   3  12.618   2.769  -0.844
   29   HH22  ARG   3          HH22      ARG   3  11.910   1.509  -1.796
   30    H    ILE   4           H        ILE   4   3.417   5.540  -1.561
   31    HA   ILE   4           HA       ILE   4   5.279   6.963  -3.351
   32    HB   ILE   4           HB       ILE   4   3.855   5.643  -4.732
   33   HG12  ILE   4          HG12      ILE   4   2.258   8.071  -5.064
   34   HG13  ILE   4          HG13      ILE   4   3.979   8.399  -4.896
   35   HG21  ILE   4          HG21      ILE   4   1.921   4.928  -3.901
   36   HG22  ILE   4          HG22      ILE   4   1.901   6.207  -2.687
   37   HG23  ILE   4          HG23      ILE   4   1.245   6.508  -4.296
   38   HD11  ILE   4          HD11      ILE   4   4.002   6.360  -6.680
   39   HD12  ILE   4          HD12      ILE   4   2.498   7.179  -7.101
   40   HD13  ILE   4          HD13      ILE   4   4.019   8.072  -7.103
   41    H    GLY   5           H        GLY   5   5.655   8.732  -2.054
   42    HA2  GLY   5           HA2      GLY   5   3.329  10.498  -1.666
   43    HA3  GLY   5           HA3      GLY   5   4.452  10.222  -0.343
   44    H    VAL   6           H        VAL   6   6.097  10.176  -3.251
   45    HA   VAL   6           HA       VAL   6   7.501  12.574  -2.672
   46    HB   VAL   6           HB       VAL   6   7.516  11.043  -5.275
   47   HG11  VAL   6          HG11      VAL   6   9.053  13.291  -4.183
   48   HG12  VAL   6          HG12      VAL   6  10.029  12.000  -4.888
   49   HG13  VAL   6          HG13      VAL   6   8.790  12.799  -5.856
   50   HG21  VAL   6          HG21      VAL   6   9.707  10.149  -4.077
   51   HG22  VAL   6          HG22      VAL   6   8.745  10.467  -2.633
   52   HG23  VAL   6          HG23      VAL   6   8.143   9.361  -3.868
   53    H    ARG   7           H        ARG   7   4.642  11.898  -4.440
   54    HA   ARG   7           HA       ARG   7   4.789  14.387  -5.958
   55    HB2  ARG   7           HB2      ARG   7   2.741  13.621  -7.049
   56    HB3  ARG   7           HB3      ARG   7   3.983  12.377  -7.109
   57    HG2  ARG   7           HG2      ARG   7   2.896  11.281  -5.162
   58    HG3  ARG   7           HG3      ARG   7   1.597  12.469  -5.279
   59    HD2  ARG   7           HD2      ARG   7   2.307  11.011  -7.754
   60    HD3  ARG   7           HD3      ARG   7   1.510  10.082  -6.486
   61    HE   ARG   7           HE       ARG   7   0.302  11.986  -8.201
   62   HH11  ARG   7          HH11      ARG   7  -1.419  11.224  -4.667
   63   HH12  ARG   7          HH12      ARG   7   0.240  10.798  -4.929
   64   HH21  ARG   7          HH21      ARG   7  -2.626  12.221  -6.340
   65   HH22  ARG   7          HH22      ARG   7  -1.883  12.552  -7.868
   66    H    LEU   8           H        LEU   8   4.694  14.717  -3.183
   67    HA   LEU   8           HA       LEU   8   1.978  15.792  -2.795
   68    HB2  LEU   8           HB2      LEU   8   3.813  14.342  -0.990
   69    HB3  LEU   8           HB3      LEU   8   2.927  15.692  -0.284
   70    HG   LEU   8           HG       LEU   8   1.075  14.090  -1.725
   71   HD11  LEU   8          HD11      LEU   8   3.165  12.573  -0.295
   72   HD12  LEU   8          HD12      LEU   8   2.121  12.091  -1.631
   73   HD13  LEU   8          HD13      LEU   8   1.494  12.100   0.017
   74   HD21  LEU   8          HD21      LEU   8   1.574  14.920   1.092
   75   HD22  LEU   8          HD22      LEU   8   0.377  13.664   0.773
   76   HD23  LEU   8          HD23      LEU   8   0.199  15.259   0.040
   77    HA   PRO   9           HA       PRO   9   3.600  19.838  -2.296
   78    HB2  PRO   9           HB2      PRO   9   2.118  20.827  -0.248
   79    HB3  PRO   9           HB3      PRO   9   1.458  20.548  -1.864
   80    HG2  PRO   9           HG2      PRO   9   1.248  18.844   0.589
   81    HG3  PRO   9           HG3      PRO   9  -0.003  19.253  -0.600
   82    HD2  PRO   9           HD2      PRO   9   1.306  16.883  -0.620
   83    HD3  PRO   9           HD3      PRO   9   0.731  17.669  -2.104
   84    H    GLY  10           H        GLY  10   5.022  21.113  -1.095
   85    HA2  GLY  10           HA2      GLY  10   5.896  19.992   1.492
   86    HA3  GLY  10           HA3      GLY  10   7.065  20.402   0.246
   87    H    HIS  11           H        HIS  11   8.082  22.236   0.654
   88    HA   HIS  11           HA       HIS  11   6.721  24.300   2.228
   89    HB2  HIS  11           HB2      HIS  11   9.230  23.242   2.496
   90    HB3  HIS  11           HB3      HIS  11   9.560  24.703   1.570
   91    HD1  HIS  11           HD1      HIS  11   7.883  23.656   4.807
   92    HD2  HIS  11           HD2      HIS  11   9.652  26.983   3.057
   93    HE1  HIS  11           HE1      HIS  11   7.995  25.391   6.624
   94    H    GLN  12           H        GLN  12   7.888  23.610  -0.933
   95    HA   GLN  12           HA       GLN  12   8.144  26.317  -1.819
   96    HB2  GLN  12           HB2      GLN  12   8.437  23.649  -2.964
   97    HB3  GLN  12           HB3      GLN  12   7.711  24.791  -4.087
   98    HG2  GLN  12           HG2      GLN  12   9.649  26.341  -3.476
   99    HG3  GLN  12           HG3      GLN  12  10.399  24.909  -2.772
  100   HE21  GLN  12          HE21      GLN  12  10.479  22.989  -4.256
  101   HE22  GLN  12          HE22      GLN  12  10.887  23.291  -5.907
  102    H    LYS  13           H        LYS  13   5.541  24.046  -1.540
  103    HA   LYS  13           HA       LYS  13   3.772  25.401  -3.349
  104    HB2  LYS  13           HB2      LYS  13   3.527  23.135  -1.416
  105    HB3  LYS  13           HB3      LYS  13   2.060  23.919  -1.990
  106    HG2  LYS  13           HG2      LYS  13   2.496  22.018  -3.366
  107    HG3  LYS  13           HG3      LYS  13   2.799  23.474  -4.318
  108    HD2  LYS  13           HD2      LYS  13   5.162  22.523  -2.900
  109    HD3  LYS  13           HD3      LYS  13   4.515  21.338  -4.038
  110    HE2  LYS  13           HE2      LYS  13   4.801  24.168  -4.922
  111    HE3  LYS  13           HE3      LYS  13   6.250  23.172  -4.799
  112    HZ1  LYS  13           HZ1      LYS  13   5.643  22.706  -6.919
  113    HZ2  LYS  13           HZ2      LYS  13   3.993  22.948  -6.640
  114    HZ3  LYS  13           HZ3      LYS  13   4.732  21.511  -6.140
  115    H    ARG  14           H        ARG  14   4.244  25.312   0.153
  116    HA   ARG  14           HA       ARG  14   2.014  26.821   0.905
  117    HB2  ARG  14           HB2      ARG  14   3.266  25.642   2.575
  118    HB3  ARG  14           HB3      ARG  14   4.732  26.529   2.182
  119    HG2  ARG  14           HG2      ARG  14   2.464  28.203   2.992
  120    HG3  ARG  14           HG3      ARG  14   3.078  27.116   4.241
  121    HD2  ARG  14           HD2      ARG  14   4.955  28.304   4.501
  122    HD3  ARG  14           HD3      ARG  14   5.190  28.473   2.762
  123    HE   ARG  14           HE       ARG  14   4.175  30.527   2.854
  124   HH11  ARG  14          HH11      ARG  14   2.887  30.179   6.628
  125   HH12  ARG  14          HH12      ARG  14   3.582  28.811   5.824
  126   HH21  ARG  14          HH21      ARG  14   2.704  32.183   5.533
  127   HH22  ARG  14          HH22      ARG  14   3.261  32.336   3.901
  128    H    ILE  15           H        ILE  15   4.921  27.750  -0.666
  129    HA   ILE  15           HA       ILE  15   4.704  30.549   0.058
  130    HB   ILE  15           HB       ILE  15   6.534  29.190  -1.924
  131   HG12  ILE  15          HG12      ILE  15   7.214  30.262   0.814
  132   HG13  ILE  15          HG13      ILE  15   6.767  28.583   0.535
  133   HG21  ILE  15          HG21      ILE  15   7.853  31.363  -1.556
  134   HG22  ILE  15          HG22      ILE  15   6.441  31.416  -2.610
  135   HG23  ILE  15          HG23      ILE  15   6.330  32.020  -0.957
  136   HD11  ILE  15          HD11      ILE  15   8.879  29.544  -1.231
  137   HD12  ILE  15          HD12      ILE  15   9.300  29.574   0.482
  138   HD13  ILE  15          HD13      ILE  15   8.778  28.068  -0.272
  139    H    ALA  16           H        ALA  16   4.303  28.558  -2.855
  140    HA   ALA  16           HA       ALA  16   3.561  30.684  -4.566
  141    HB1  ALA  16           HB1      ALA  16   4.345  28.333  -5.195
  142    HB2  ALA  16           HB2      ALA  16   2.670  27.842  -4.939
  143    HB3  ALA  16           HB3      ALA  16   3.058  29.051  -6.164
  144    H    TYR  17           H        TYR  17   1.846  28.913  -2.161
  145    HA   TYR  17           HA       TYR  17  -0.757  29.740  -3.193
  146    HB2  TYR  17           HB2      TYR  17  -0.005  27.451  -1.955
  147    HB3  TYR  17           HB3      TYR  17  -0.590  28.373  -0.575
  148    HD1  TYR  17           HD1      TYR  17  -1.636  27.510  -4.060
  149    HD2  TYR  17           HD2      TYR  17  -2.825  28.193  -0.033
  150    HE1  TYR  17           HE1      TYR  17  -3.947  26.907  -4.647
  151    HE2  TYR  17           HE2      TYR  17  -5.139  27.590  -0.608
  152    HH   TYR  17           HH       TYR  17  -6.114  27.005  -3.929
  153    H    SER  18           H        SER  18   1.572  30.590  -0.784
  154    HA   SER  18           HA       SER  18  -0.263  32.170   0.790
  155    HB2  SER  18           HB2      SER  18   1.484  31.258   2.072
  156    HB3  SER  18           HB3      SER  18   2.707  31.688   0.876
  157    HG   SER  18           HG       SER  18   1.220  33.547   2.424
  158    H    LEU  19           H        LEU  19   1.813  32.630  -1.927
  159    HA   LEU  19           HA       LEU  19   1.861  35.519  -1.666
  160    HB2  LEU  19           HB2      LEU  19   3.221  33.500  -3.281
  161    HB3  LEU  19           HB3      LEU  19   2.787  34.950  -4.184
  162    HG   LEU  19           HG       LEU  19   5.064  35.095  -3.355
  163   HD11  LEU  19          HD11      LEU  19   3.630  37.126  -3.506
  164   HD12  LEU  19          HD12      LEU  19   4.940  37.252  -2.333
  165   HD13  LEU  19          HD13      LEU  19   3.290  36.955  -1.784
  166   HD21  LEU  19          HD21      LEU  19   4.410  35.400  -0.540
  167   HD22  LEU  19          HD22      LEU  19   5.704  34.481  -1.309
  168   HD23  LEU  19          HD23      LEU  19   4.099  33.770  -1.137
  169    H    LEU  20           H        LEU  20   0.491  33.106  -3.886
  170    HA   LEU  20           HA       LEU  20  -0.898  35.014  -5.476
  171    HB2  LEU  20           HB2      LEU  20  -0.300  32.335  -5.676
  172    HB3  LEU  20           HB3      LEU  20  -2.044  32.334  -5.426
  173    HG   LEU  20           HG       LEU  20  -1.802  34.208  -7.376
  174   HD11  LEU  20          HD11      LEU  20   0.408  34.072  -7.964
  175   HD12  LEU  20          HD12      LEU  20  -0.288  32.869  -9.048
  176   HD13  LEU  20          HD13      LEU  20   0.524  32.357  -7.569
  177   HD21  LEU  20          HD21      LEU  20  -2.260  31.248  -7.454
  178   HD22  LEU  20          HD22      LEU  20  -2.326  32.216  -8.927
  179   HD23  LEU  20          HD23      LEU  20  -3.429  32.561  -7.593
  180    H    GLY  21           H        GLY  21  -1.537  33.528  -2.448
  181    HA2  GLY  21           HA2      GLY  21  -4.397  33.782  -2.538
  182    HA3  GLY  21           HA3      GLY  21  -3.424  33.429  -1.117
  183    H    LEU  22           H        LEU  22  -1.740  35.799  -1.466
  184    HA   LEU  22           HA       LEU  22  -3.626  37.752  -0.364
  185    HB2  LEU  22           HB2      LEU  22  -1.243  36.881   0.589
  186    HB3  LEU  22           HB3      LEU  22  -0.742  38.328  -0.284
  187    HG   LEU  22           HG       LEU  22  -2.893  38.329   1.826
  188   HD11  LEU  22          HD11      LEU  22  -1.337  38.909   3.450
  189   HD12  LEU  22          HD12      LEU  22  -0.087  39.278   2.263
  190   HD13  LEU  22          HD13      LEU  22  -0.540  37.602   2.575
  191   HD21  LEU  22          HD21      LEU  22  -3.106  40.223   0.440
  192   HD22  LEU  22          HD22      LEU  22  -1.360  40.460   0.360
  193   HD23  LEU  22          HD23      LEU  22  -2.225  40.776   1.865
  194    H    LYS  23           H        LYS  23  -1.422  37.229  -3.001
  195    HA   LYS  23           HA       LYS  23  -1.389  39.972  -3.865
  196    HB2  LYS  23           HB2      LYS  23  -0.469  37.401  -5.148
  197    HB3  LYS  23           HB3      LYS  23  -0.336  38.964  -5.943
  198    HG2  LYS  23           HG2      LYS  23   0.768  38.895  -3.233
  199    HG3  LYS  23           HG3      LYS  23   1.580  37.832  -4.384
  200    HD2  LYS  23           HD2      LYS  23   2.752  39.768  -4.732
  201    HD3  LYS  23           HD3      LYS  23   1.463  39.972  -5.921
  202    HE2  LYS  23           HE2      LYS  23   0.433  41.618  -4.722
  203    HE3  LYS  23           HE3      LYS  23   0.979  40.982  -3.172
  204    HZ1  LYS  23           HZ1      LYS  23   2.573  42.534  -5.133
  205    HZ2  LYS  23           HZ2      LYS  23   3.243  41.765  -3.783
  206    HZ3  LYS  23           HZ3      LYS  23   2.117  43.011  -3.575
  207    H    ASP  24           H        ASP  24  -3.545  37.368  -4.164
  208    HA   ASP  24           HA       ASP  24  -4.861  38.628  -6.478
  209    HB2  ASP  24           HB2      ASP  24  -4.085  36.121  -6.475
  210    HB3  ASP  24           HB3      ASP  24  -5.549  35.871  -5.528
  211    H    GLN  25           H        GLN  25  -5.196  37.690  -3.160
  212    HA   GLN  25           HA       GLN  25  -7.997  38.599  -3.186
  213    HB2  GLN  25           HB2      GLN  25  -6.943  36.228  -2.196
  214    HB3  GLN  25           HB3      GLN  25  -7.156  37.223  -0.762
  215    HG2  GLN  25           HG2      GLN  25  -9.508  37.602  -1.428
  216    HG3  GLN  25           HG3      GLN  25  -9.268  36.491  -2.776
  217   HE21  GLN  25          HE21      GLN  25  -9.009  34.293  -2.363
  218   HE22  GLN  25          HE22      GLN  25  -9.453  33.586  -0.851
  219    H    VAL  26           H        VAL  26  -5.478  40.192  -2.992
  220    HA   VAL  26           HA       VAL  26  -4.912  41.106  -0.451
  221    HB   VAL  26           HB       VAL  26  -3.718  41.799  -2.524
  222   HG11  VAL  26          HG11      VAL  26  -5.668  42.296  -3.906
  223   HG12  VAL  26          HG12      VAL  26  -6.065  43.664  -2.864
  224   HG13  VAL  26          HG13      VAL  26  -4.582  43.683  -3.819
  225   HG21  VAL  26          HG21      VAL  26  -3.871  43.074  -0.183
  226   HG22  VAL  26          HG22      VAL  26  -2.885  43.660  -1.523
  227   HG23  VAL  26          HG23      VAL  26  -4.481  44.353  -1.234
  228    HN1  NH2  27           HN1      NH2  27  -7.705  41.749  -2.466
  229    HN2  NH2  27           HN2      NH2  27  -8.539  42.780  -1.352
  Start of MODEL    2
    1    H1   ACE   1           H1       ACE   1   8.411  -0.378  -5.032
    2    H2   ACE   1           H2       ACE   1  10.008   0.315  -5.405
    3    H3   ACE   1           H3       ACE   1   9.309   0.512  -3.780
    4    H    LYS   2           H        LYS   2   6.667   0.788  -5.326
    5    HA   LYS   2           HA       LYS   2   6.825   3.687  -5.528
    6    HB2  LYS   2           HB2      LYS   2   7.131   2.348  -7.832
    7    HB3  LYS   2           HB3      LYS   2   5.374   2.366  -7.759
    8    HG2  LYS   2           HG2      LYS   2   5.995   4.251  -9.019
    9    HG3  LYS   2           HG3      LYS   2   5.537   4.864  -7.429
   10    HD2  LYS   2           HD2      LYS   2   8.327   4.221  -7.438
   11    HD3  LYS   2           HD3      LYS   2   7.960   5.264  -8.813
   12    HE2  LYS   2           HE2      LYS   2   7.450   7.035  -7.501
   13    HE3  LYS   2           HE3      LYS   2   6.729   6.030  -6.244
   14    HZ1  LYS   2           HZ1      LYS   2   8.573   6.429  -5.095
   15    HZ2  LYS   2           HZ2      LYS   2   9.384   7.072  -6.433
   16    HZ3  LYS   2           HZ3      LYS   2   9.382   5.401  -6.168
   17    H    ARG   3           H        ARG   3   5.649   2.344  -3.502
   18    HA   ARG   3           HA       ARG   3   2.769   2.414  -4.110
   19    HB2  ARG   3           HB2      ARG   3   4.285   0.472  -2.800
   20    HB3  ARG   3           HB3      ARG   3   3.445   1.320  -1.509
   21    HG2  ARG   3           HG2      ARG   3   2.103   0.139  -3.931
   22    HG3  ARG   3           HG3      ARG   3   2.227  -0.654  -2.359
   23    HD2  ARG   3           HD2      ARG   3   0.998   1.198  -1.332
   24    HD3  ARG   3           HD3      ARG   3   0.875   1.987  -2.904
   25    HE   ARG   3           HE       ARG   3  -0.850   0.583  -3.427
   26   HH11  ARG   3          HH11      ARG   3  -0.242  -2.008  -0.436
   27   HH12  ARG   3          HH12      ARG   3   0.898  -0.734  -0.720
   28   HH21  ARG   3          HH21      ARG   3  -2.093  -2.210  -1.771
   29   HH22  ARG   3          HH22      ARG   3  -2.358  -1.090  -3.064
   30    H    ILE   4           H        ILE   4   4.779   4.606  -3.348
   31    HA   ILE   4           HA       ILE   4   3.086   5.798  -1.264
   32    HB   ILE   4           HB       ILE   4   6.086   6.108  -1.304
   33   HG12  ILE   4          HG12      ILE   4   5.446   3.784  -0.750
   34   HG13  ILE   4          HG13      ILE   4   6.156   4.621   0.626
   35   HG21  ILE   4          HG21      ILE   4   5.586   6.930   1.058
   36   HG22  ILE   4          HG22      ILE   4   5.132   7.987  -0.278
   37   HG23  ILE   4          HG23      ILE   4   3.903   7.024   0.541
   38   HD11  ILE   4          HD11      ILE   4   3.672   3.290   0.462
   39   HD12  ILE   4          HD12      ILE   4   4.379   4.136   1.840
   40   HD13  ILE   4          HD13      ILE   4   3.347   5.006   0.705
   41    H    GLY   5           H        GLY   5   2.055   7.252  -2.545
   42    HA2  GLY   5           HA2      GLY   5   3.717   9.014  -4.225
   43    HA3  GLY   5           HA3      GLY   5   1.998   8.730  -4.452
   44    H    VAL   6           H        VAL   6   2.657   9.045  -1.194
   45    HA   VAL   6           HA       VAL   6   1.665  11.805  -1.225
   46    HB   VAL   6           HB       VAL   6   0.461   9.982   0.078
   47   HG11  VAL   6          HG11      VAL   6   2.907   9.350   1.029
   48   HG12  VAL   6          HG12      VAL   6   2.309  10.372   2.337
   49   HG13  VAL   6          HG13      VAL   6   1.398   8.944   1.846
   50   HG21  VAL   6          HG21      VAL   6   0.767  12.674   0.543
   51   HG22  VAL   6          HG22      VAL   6  -0.439  11.629   1.294
   52   HG23  VAL   6          HG23      VAL   6   1.080  11.961   2.126
   53    H    ARG   7           H        ARG   7   4.511  10.920  -1.627
   54    HA   ARG   7           HA       ARG   7   5.777  12.148   0.717
   55    HB2  ARG   7           HB2      ARG   7   6.792  10.386  -1.495
   56    HB3  ARG   7           HB3      ARG   7   7.905  11.337  -0.520
   57    HG2  ARG   7           HG2      ARG   7   5.934   9.692   0.943
   58    HG3  ARG   7           HG3      ARG   7   7.212   8.834   0.080
   59    HD2  ARG   7           HD2      ARG   7   8.483  10.957   1.380
   60    HD3  ARG   7           HD3      ARG   7   7.335  10.312   2.552
   61    HE   ARG   7           HE       ARG   7   8.883   8.279   1.252
   62   HH11  ARG   7          HH11      ARG   7   9.978   9.720   4.823
   63   HH12  ARG   7          HH12      ARG   7   8.834  10.590   3.855
   64   HH21  ARG   7          HH21      ARG   7  10.863   7.749   4.060
   65   HH22  ARG   7          HH22      ARG   7  10.390   7.125   2.517
   66    H    LEU   8           H        LEU   8   4.336  13.814  -1.055
   67    HA   LEU   8           HA       LEU   8   6.325  15.151  -2.708
   68    HB2  LEU   8           HB2      LEU   8   3.375  15.275  -2.403
   69    HB3  LEU   8           HB3      LEU   8   4.200  16.722  -2.979
   70    HG   LEU   8           HG       LEU   8   5.246  14.801  -4.611
   71   HD11  LEU   8          HD11      LEU   8   2.418  14.095  -4.859
   72   HD12  LEU   8          HD12      LEU   8   3.202  13.455  -3.415
   73   HD13  LEU   8          HD13      LEU   8   3.860  13.090  -5.010
   74   HD21  LEU   8          HD21      LEU   8   3.570  15.676  -6.277
   75   HD22  LEU   8          HD22      LEU   8   4.515  16.901  -5.429
   76   HD23  LEU   8          HD23      LEU   8   2.846  16.585  -4.951
   77    HA   PRO   9           HA       PRO   9   7.319  18.402   0.065
   78    HB2  PRO   9           HB2      PRO   9   7.390  20.571  -1.565
   79    HB3  PRO   9           HB3      PRO   9   8.620  19.303  -1.600
   80    HG2  PRO   9           HG2      PRO   9   6.265  19.707  -3.403
   81    HG3  PRO   9           HG3      PRO   9   7.929  19.258  -3.820
   82    HD2  PRO   9           HD2      PRO   9   5.925  17.443  -3.668
   83    HD3  PRO   9           HD3      PRO   9   7.607  17.046  -3.259
   84    H    GLY  10           H        GLY  10   6.456  20.062   1.311
   85    HA2  GLY  10           HA2      GLY  10   3.768  21.013   0.561
   86    HA3  GLY  10           HA3      GLY  10   4.055  20.336   2.158
   87    H    HIS  11           H        HIS  11   6.688  22.079   0.896
   88    HA   HIS  11           HA       HIS  11   6.114  24.274   2.751
   89    HB2  HIS  11           HB2      HIS  11   8.521  22.871   1.915
   90    HB3  HIS  11           HB3      HIS  11   8.705  24.618   1.791
   91    HD1  HIS  11           HD1      HIS  11   9.585  25.635   3.853
   92    HD2  HIS  11           HD2      HIS  11   7.376  22.210   4.657
   93    HE1  HIS  11           HE1      HIS  11   9.708  25.326   6.346
   94    H    GLN  12           H        GLN  12   6.391  23.547  -0.600
   95    HA   GLN  12           HA       GLN  12   6.841  26.267  -1.442
   96    HB2  GLN  12           HB2      GLN  12   6.466  23.640  -2.782
   97    HB3  GLN  12           HB3      GLN  12   6.066  25.080  -3.708
   98    HG2  GLN  12           HG2      GLN  12   8.272  24.694  -4.266
   99    HG3  GLN  12           HG3      GLN  12   8.390  25.921  -3.006
  100   HE21  GLN  12          HE21      GLN  12   8.556  22.446  -3.585
  101   HE22  GLN  12          HE22      GLN  12   9.669  22.104  -2.309
  102    H    LYS  13           H        LYS  13   4.120  24.178  -0.873
  103    HA   LYS  13           HA       LYS  13   2.152  25.480  -2.366
  104    HB2  LYS  13           HB2      LYS  13   0.558  24.528  -0.676
  105    HB3  LYS  13           HB3      LYS  13   1.661  23.356  -1.386
  106    HG2  LYS  13           HG2      LYS  13   3.064  23.457   0.606
  107    HG3  LYS  13           HG3      LYS  13   1.971  24.646   1.319
  108    HD2  LYS  13           HD2      LYS  13   0.868  22.034   0.390
  109    HD3  LYS  13           HD3      LYS  13   1.759  22.096   1.912
  110    HE2  LYS  13           HE2      LYS  13   0.219  23.556   2.888
  111    HE3  LYS  13           HE3      LYS  13  -0.452  24.036   1.330
  112    HZ1  LYS  13           HZ1      LYS  13  -0.755  21.248   1.722
  113    HZ2  LYS  13           HZ2      LYS  13  -1.944  22.422   1.460
  114    HZ3  LYS  13           HZ3      LYS  13  -1.417  22.090   3.033
  115    H    ARG  14           H        ARG  14   3.400  26.147   0.871
  116    HA   ARG  14           HA       ARG  14   1.539  28.088   1.639
  117    HB2  ARG  14           HB2      ARG  14   3.088  27.123   3.234
  118    HB3  ARG  14           HB3      ARG  14   4.458  27.804   2.366
  119    HG2  ARG  14           HG2      ARG  14   2.527  29.825   3.150
  120    HG3  ARG  14           HG3      ARG  14   3.169  28.924   4.524
  121    HD2  ARG  14           HD2      ARG  14   5.164  29.912   4.358
  122    HD3  ARG  14           HD3      ARG  14   5.236  29.638   2.618
  123    HE   ARG  14           HE       ARG  14   4.614  31.808   2.317
  124   HH11  ARG  14          HH11      ARG  14   3.086  32.388   5.972
  125   HH12  ARG  14          HH12      ARG  14   3.646  30.815   5.510
  126   HH21  ARG  14          HH21      ARG  14   3.219  34.133   4.493
  127   HH22  ARG  14          HH22      ARG  14   3.880  33.884   2.913
  128    H    ILE  15           H        ILE  15   4.073  28.206  -0.674
  129    HA   ILE  15           HA       ILE  15   4.268  31.098  -0.674
  130    HB   ILE  15           HB       ILE  15   5.462  29.069  -2.567
  131   HG12  ILE  15          HG12      ILE  15   6.313  28.863  -0.273
  132   HG13  ILE  15          HG13      ILE  15   7.553  29.492  -1.353
  133   HG21  ILE  15          HG21      ILE  15   5.428  31.042  -3.788
  134   HG22  ILE  15          HG22      ILE  15   5.695  32.045  -2.363
  135   HG23  ILE  15          HG23      ILE  15   7.016  31.081  -3.022
  136   HD11  ILE  15          HD11      ILE  15   5.919  31.044   0.637
  137   HD12  ILE  15          HD12      ILE  15   7.646  30.692   0.706
  138   HD13  ILE  15          HD13      ILE  15   7.016  31.773  -0.536
  139    H    ALA  16           H        ALA  16   3.037  28.558  -2.832
  140    HA   ALA  16           HA       ALA  16   2.097  30.307  -4.843
  141    HB1  ALA  16           HB1      ALA  16   2.112  28.275  -5.780
  142    HB2  ALA  16           HB2      ALA  16   1.903  27.455  -4.232
  143    HB3  ALA  16           HB3      ALA  16   0.502  28.105  -5.082
  144    H    TYR  17           H        TYR  17   0.843  29.401  -1.766
  145    HA   TYR  17           HA       TYR  17  -1.849  30.320  -2.421
  146    HB2  TYR  17           HB2      TYR  17  -0.979  28.322  -0.778
  147    HB3  TYR  17           HB3      TYR  17  -1.242  29.624   0.376
  148    HD1  TYR  17           HD1      TYR  17  -3.398  30.107   1.141
  149    HD2  TYR  17           HD2      TYR  17  -2.913  27.720  -2.347
  150    HE1  TYR  17           HE1      TYR  17  -5.810  29.623   1.144
  151    HE2  TYR  17           HE2      TYR  17  -5.323  27.230  -2.355
  152    HH   TYR  17           HH       TYR  17  -7.234  27.372  -1.178
  153    H    SER  18           H        SER  18   1.040  31.379  -0.845
  154    HA   SER  18           HA       SER  18  -0.242  33.527   0.600
  155    HB2  SER  18           HB2      SER  18   1.702  32.590   1.633
  156    HB3  SER  18           HB3      SER  18   2.655  32.786   0.162
  157    HG   SER  18           HG       SER  18   1.498  35.049   1.343
  158    H    LEU  19           H        LEU  19   1.181  33.035  -2.503
  159    HA   LEU  19           HA       LEU  19   1.530  35.871  -3.019
  160    HB2  LEU  19           HB2      LEU  19   2.340  33.364  -4.272
  161    HB3  LEU  19           HB3      LEU  19   1.818  34.585  -5.430
  162    HG   LEU  19           HG       LEU  19   3.489  36.144  -4.483
  163   HD11  LEU  19          HD11      LEU  19   4.403  33.742  -2.907
  164   HD12  LEU  19          HD12      LEU  19   3.611  35.167  -2.237
  165   HD13  LEU  19          HD13      LEU  19   5.203  35.312  -2.981
  166   HD21  LEU  19          HD21      LEU  19   3.871  34.396  -6.384
  167   HD22  LEU  19          HD22      LEU  19   4.953  33.645  -5.210
  168   HD23  LEU  19          HD23      LEU  19   5.233  35.307  -5.731
  169    H    LEU  20           H        LEU  20  -0.575  33.221  -4.053
  170    HA   LEU  20           HA       LEU  20  -2.117  34.906  -5.804
  171    HB2  LEU  20           HB2      LEU  20  -1.727  32.188  -5.545
  172    HB3  LEU  20           HB3      LEU  20  -3.377  32.417  -4.968
  173    HG   LEU  20           HG       LEU  20  -3.710  33.719  -7.186
  174   HD11  LEU  20          HD11      LEU  20  -2.260  32.634  -8.990
  175   HD12  LEU  20          HD12      LEU  20  -1.148  32.240  -7.680
  176   HD13  LEU  20          HD13      LEU  20  -1.540  33.924  -8.026
  177   HD21  LEU  20          HD21      LEU  20  -3.477  31.017  -8.080
  178   HD22  LEU  20          HD22      LEU  20  -4.927  31.923  -7.646
  179   HD23  LEU  20          HD23      LEU  20  -4.041  31.028  -6.409
  180    H    GLY  21           H        GLY  21  -1.941  34.704  -2.532
  181    HA2  GLY  21           HA2      GLY  21  -4.821  35.183  -2.135
  182    HA3  GLY  21           HA3      GLY  21  -3.688  34.719  -0.874
  183    H    LEU  22           H        LEU  22  -1.773  36.756  -2.171
  184    HA   LEU  22           HA       LEU  22  -2.969  39.126  -0.894
  185    HB2  LEU  22           HB2      LEU  22  -0.667  37.800  -0.183
  186    HB3  LEU  22           HB3      LEU  22  -0.065  39.131  -1.170
  187    HG   LEU  22           HG       LEU  22  -1.983  39.699   1.050
  188   HD11  LEU  22          HD11      LEU  22   0.971  39.198   1.365
  189   HD12  LEU  22          HD12      LEU  22  -0.346  38.307   2.127
  190   HD13  LEU  22          HD13      LEU  22  -0.049  39.988   2.567
  191   HD21  LEU  22          HD21      LEU  22  -0.624  41.223  -0.831
  192   HD22  LEU  22          HD22      LEU  22   0.282  41.458   0.664
  193   HD23  LEU  22          HD23      LEU  22  -1.445  41.814   0.614
  194    H    LYS  23           H        LYS  23  -1.420  37.831  -3.697
  195    HA   LYS  23           HA       LYS  23  -1.172  40.495  -4.897
  196    HB2  LYS  23           HB2      LYS  23   0.681  38.666  -4.950
  197    HB3  LYS  23           HB3      LYS  23  -0.299  37.948  -6.222
  198    HG2  LYS  23           HG2      LYS  23   1.156  39.223  -7.445
  199    HG3  LYS  23           HG3      LYS  23  -0.196  40.343  -7.256
  200    HD2  LYS  23           HD2      LYS  23   1.736  40.471  -5.069
  201    HD3  LYS  23           HD3      LYS  23   2.428  40.877  -6.641
  202    HE2  LYS  23           HE2      LYS  23  -0.181  42.073  -5.809
  203    HE3  LYS  23           HE3      LYS  23   1.325  42.731  -5.171
  204    HZ1  LYS  23           HZ1      LYS  23   0.150  43.182  -7.678
  205    HZ2  LYS  23           HZ2      LYS  23   1.635  42.410  -7.924
  206    HZ3  LYS  23           HZ3      LYS  23   1.568  43.854  -7.045
  207    H    ASP  24           H        ASP  24  -3.474  38.216  -4.582
  208    HA   ASP  24           HA       ASP  24  -4.602  38.767  -7.250
  209    HB2  ASP  24           HB2      ASP  24  -4.001  36.292  -6.281
  210    HB3  ASP  24           HB3      ASP  24  -5.681  36.453  -5.776
  211    H    GLN  25           H        GLN  25  -5.157  38.604  -3.804
  212    HA   GLN  25           HA       GLN  25  -7.944  39.400  -4.107
  213    HB2  GLN  25           HB2      GLN  25  -6.969  37.712  -2.364
  214    HB3  GLN  25           HB3      GLN  25  -6.547  39.164  -1.467
  215    HG2  GLN  25           HG2      GLN  25  -9.123  39.693  -2.037
  216    HG3  GLN  25           HG3      GLN  25  -9.172  37.933  -1.956
  217   HE21  GLN  25          HE21      GLN  25  -8.764  40.870  -0.199
  218   HE22  GLN  25          HE22      GLN  25  -8.750  40.175   1.382
  219    H    VAL  26           H        VAL  26  -4.934  40.863  -3.867
  220    HA   VAL  26           HA       VAL  26  -6.191  43.440  -3.291
  221    HB   VAL  26           HB       VAL  26  -3.641  42.560  -1.931
  222   HG11  VAL  26          HG11      VAL  26  -3.634  44.922  -2.377
  223   HG12  VAL  26          HG12      VAL  26  -5.271  45.090  -1.741
  224   HG13  VAL  26          HG13      VAL  26  -3.942  44.672  -0.659
  225   HG21  VAL  26          HG21      VAL  26  -6.461  42.794  -0.907
  226   HG22  VAL  26          HG22      VAL  26  -5.405  41.382  -0.876
  227   HG23  VAL  26          HG23      VAL  26  -5.052  42.768   0.154
  228    HN1  NH2  27           HN1      NH2  27  -3.103  41.827  -4.111
  229    HN2  NH2  27           HN2      NH2  27  -2.629  42.956  -5.337
  Start of MODEL    3
    1    H1   ACE   1           H1       ACE   1   5.557  22.086  -9.562
    2    H2   ACE   1           H2       ACE   1   7.160  21.990  -8.793
    3    H3   ACE   1           H3       ACE   1   6.755  20.905 -10.144
    4    H    LYS   2           H        LYS   2   7.697  19.722  -8.027
    5    HA   LYS   2           HA       LYS   2   7.290  17.982  -6.614
    6    HB2  LYS   2           HB2      LYS   2   6.465  20.139  -5.347
    7    HB3  LYS   2           HB3      LYS   2   4.881  19.405  -5.556
    8    HG2  LYS   2           HG2      LYS   2   5.731  18.794  -3.409
    9    HG3  LYS   2           HG3      LYS   2   5.738  17.361  -4.441
   10    HD2  LYS   2           HD2      LYS   2   8.054  17.381  -4.662
   11    HD3  LYS   2           HD3      LYS   2   8.180  19.081  -4.204
   12    HE2  LYS   2           HE2      LYS   2   8.563  18.481  -2.102
   13    HE3  LYS   2           HE3      LYS   2   6.989  17.690  -2.041
   14    HZ1  LYS   2           HZ1      LYS   2   8.845  16.197  -1.491
   15    HZ2  LYS   2           HZ2      LYS   2   9.475  16.414  -3.045
   16    HZ3  LYS   2           HZ3      LYS   2   7.971  15.667  -2.839
   17    H    ARG   3           H        ARG   3   6.471  17.172  -8.913
   18    HA   ARG   3           HA       ARG   3   3.652  16.407  -8.783
   19    HB2  ARG   3           HB2      ARG   3   5.368  17.089 -10.892
   20    HB3  ARG   3           HB3      ARG   3   5.086  15.362 -11.067
   21    HG2  ARG   3           HG2      ARG   3   2.907  17.421 -10.799
   22    HG3  ARG   3           HG3      ARG   3   3.496  16.776 -12.332
   23    HD2  ARG   3           HD2      ARG   3   2.849  14.524 -11.632
   24    HD3  ARG   3           HD3      ARG   3   2.271  15.165 -10.095
   25    HE   ARG   3           HE       ARG   3   0.949  16.536 -12.123
   26   HH11  ARG   3          HH11      ARG   3  -0.436  12.860 -11.352
   27   HH12  ARG   3          HH12      ARG   3   1.174  13.292 -10.880
   28   HH21  ARG   3          HH21      ARG   3  -1.769  14.389 -12.416
   29   HH22  ARG   3          HH22      ARG   3  -1.172  15.980 -12.750
   30    H    ILE   4           H        ILE   4   6.008  15.282  -7.169
   31    HA   ILE   4           HA       ILE   4   5.264  12.477  -7.564
   32    HB   ILE   4           HB       ILE   4   8.133  13.305  -7.136
   33   HG12  ILE   4          HG12      ILE   4   8.191  12.221  -9.579
   34   HG13  ILE   4          HG13      ILE   4   6.556  12.873  -9.624
   35   HG21  ILE   4          HG21      ILE   4   6.954  10.953  -6.535
   36   HG22  ILE   4          HG22      ILE   4   7.435  10.654  -8.204
   37   HG23  ILE   4          HG23      ILE   4   8.645  11.115  -7.007
   38   HD11  ILE   4          HD11      ILE   4   8.512  14.302 -10.497
   39   HD12  ILE   4          HD12      ILE   4   7.290  15.058  -9.473
   40   HD13  ILE   4          HD13      ILE   4   8.849  14.595  -8.791
   41    H    GLY   5           H        GLY   5   4.015  12.644  -5.678
   42    HA2  GLY   5           HA2      GLY   5   4.795  11.700  -3.350
   43    HA3  GLY   5           HA3      GLY   5   5.395  13.344  -3.194
   44    H    VAL   6           H        VAL   6   2.875  11.355  -2.470
   45    HA   VAL   6           HA       VAL   6   0.901  13.537  -2.483
   46    HB   VAL   6           HB       VAL   6   0.378  10.594  -2.053
   47   HG11  VAL   6          HG11      VAL   6  -1.930  11.737  -2.961
   48   HG12  VAL   6          HG12      VAL   6  -1.553  11.419  -1.266
   49   HG13  VAL   6          HG13      VAL   6  -1.259  13.018  -1.952
   50   HG21  VAL   6          HG21      VAL   6   0.516  12.243  -4.530
   51   HG22  VAL   6          HG22      VAL   6   1.020  10.576  -4.256
   52   HG23  VAL   6          HG23      VAL   6  -0.692  10.963  -4.425
   53    H    ARG   7           H        ARG   7   2.835  11.538  -0.462
   54    HA   ARG   7           HA       ARG   7   1.285  12.233   1.922
   55    HB2  ARG   7           HB2      ARG   7   3.512  10.275   1.403
   56    HB3  ARG   7           HB3      ARG   7   3.031  10.711   3.037
   57    HG2  ARG   7           HG2      ARG   7   0.817   9.859   2.675
   58    HG3  ARG   7           HG3      ARG   7   1.169   9.563   0.971
   59    HD2  ARG   7           HD2      ARG   7   2.204   7.626   1.407
   60    HD3  ARG   7           HD3      ARG   7   3.073   8.301   2.785
   61    HE   ARG   7           HE       ARG   7   0.454   7.994   3.601
   62   HH11  ARG   7          HH11      ARG   7   2.492   4.557   3.342
   63   HH12  ARG   7          HH12      ARG   7   3.025   5.946   2.453
   64   HH21  ARG   7          HH21      ARG   7   0.624   4.687   4.662
   65   HH22  ARG   7          HH22      ARG   7  -0.258   6.173   4.776
   66    H    LEU   8           H        LEU   8   2.468  14.410   0.749
   67    HA   LEU   8           HA       LEU   8   5.049  14.981   1.808
   68    HB2  LEU   8           HB2      LEU   8   3.080  17.100   1.053
   69    HB3  LEU   8           HB3      LEU   8   4.832  17.086   0.855
   70    HG   LEU   8           HG       LEU   8   2.811  15.565  -0.789
   71   HD11  LEU   8          HD11      LEU   8   4.775  17.605  -1.764
   72   HD12  LEU   8          HD12      LEU   8   3.206  18.086  -1.118
   73   HD13  LEU   8          HD13      LEU   8   3.293  17.029  -2.527
   74   HD21  LEU   8          HD21      LEU   8   4.909  15.038  -2.157
   75   HD22  LEU   8          HD22      LEU   8   4.645  14.120  -0.674
   76   HD23  LEU   8          HD23      LEU   8   5.808  15.447  -0.696
   77    HA   PRO   9           HA       PRO   9   4.130  16.291   5.896
   78    HB2  PRO   9           HB2      PRO   9   5.972  18.255   6.243
   79    HB3  PRO   9           HB3      PRO   9   6.394  16.539   6.197
   80    HG2  PRO   9           HG2      PRO   9   6.588  18.597   4.030
   81    HG3  PRO   9           HG3      PRO   9   7.751  17.337   4.484
   82    HD2  PRO   9           HD2      PRO   9   6.073  17.079   2.375
   83    HD3  PRO   9           HD3      PRO   9   6.604  15.692   3.348
   84    H    GLY  10           H        GLY  10   3.962  18.499   7.194
   85    HA2  GLY  10           HA2      GLY  10   1.951  20.060   5.761
   86    HA3  GLY  10           HA3      GLY  10   2.239  20.076   7.495
   87    H    HIS  11           H        HIS  11   5.232  20.314   6.620
   88    HA   HIS  11           HA       HIS  11   5.372  23.135   6.982
   89    HB2  HIS  11           HB2      HIS  11   7.091  21.184   7.541
   90    HB3  HIS  11           HB3      HIS  11   7.722  21.614   5.954
   91    HD1  HIS  11           HD1      HIS  11   9.498  22.080   8.349
   92    HD2  HIS  11           HD2      HIS  11   6.854  24.940   6.902
   93    HE1  HIS  11           HE1      HIS  11  10.390  24.289   9.154
   94    H    GLN  12           H        GLN  12   5.171  21.080   4.230
   95    HA   GLN  12           HA       GLN  12   6.164  23.125   2.410
   96    HB2  GLN  12           HB2      GLN  12   6.102  20.328   2.348
   97    HB3  GLN  12           HB3      GLN  12   4.950  20.837   1.120
   98    HG2  GLN  12           HG2      GLN  12   6.592  21.314  -0.276
   99    HG3  GLN  12           HG3      GLN  12   7.308  22.422   0.893
  100   HE21  GLN  12          HE21      GLN  12   7.091  18.994   0.059
  101   HE22  GLN  12          HE22      GLN  12   8.682  18.582   0.589
  102    H    LYS  13           H        LYS  13   3.176  21.827   3.584
  103    HA   LYS  13           HA       LYS  13   1.455  22.623   1.511
  104    HB2  LYS  13           HB2      LYS  13   1.157  21.902   4.374
  105    HB3  LYS  13           HB3      LYS  13  -0.162  22.814   3.651
  106    HG2  LYS  13           HG2      LYS  13   0.155  20.948   1.762
  107    HG3  LYS  13           HG3      LYS  13   0.718  20.039   3.166
  108    HD2  LYS  13           HD2      LYS  13  -1.383  20.636   4.337
  109    HD3  LYS  13           HD3      LYS  13  -1.945  21.427   2.862
  110    HE2  LYS  13           HE2      LYS  13  -2.923  19.313   2.766
  111    HE3  LYS  13           HE3      LYS  13  -1.508  19.168   1.725
  112    HZ1  LYS  13           HZ1      LYS  13  -0.664  17.600   3.027
  113    HZ2  LYS  13           HZ2      LYS  13  -2.150  17.544   3.832
  114    HZ3  LYS  13           HZ3      LYS  13  -0.900  18.513   4.432
  115    H    ARG  14           H        ARG  14   2.649  24.336   4.362
  116    HA   ARG  14           HA       ARG  14   1.043  26.617   4.176
  117    HB2  ARG  14           HB2      ARG  14   2.698  25.880   6.030
  118    HB3  ARG  14           HB3      ARG  14   3.905  26.735   5.080
  119    HG2  ARG  14           HG2      ARG  14   1.959  28.608   5.221
  120    HG3  ARG  14           HG3      ARG  14   1.737  27.774   6.760
  121    HD2  ARG  14           HD2      ARG  14   3.276  29.607   7.057
  122    HD3  ARG  14           HD3      ARG  14   4.143  28.082   7.231
  123    HE   ARG  14           HE       ARG  14   4.286  29.038   4.563
  124   HH11  ARG  14          HH11      ARG  14   7.082  30.190   7.186
  125   HH12  ARG  14          HH12      ARG  14   5.580  29.542   7.756
  126   HH21  ARG  14          HH21      ARG  14   7.468  30.388   4.937
  127   HH22  ARG  14          HH22      ARG  14   6.260  29.890   3.801
  128    H    ILE  15           H        ILE  15   3.667  25.561   2.228
  129    HA   ILE  15           HA       ILE  15   4.244  28.192   1.156
  130    HB   ILE  15           HB       ILE  15   5.247  25.477   0.290
  131   HG12  ILE  15          HG12      ILE  15   6.612  27.634   1.915
  132   HG13  ILE  15          HG13      ILE  15   5.920  26.160   2.584
  133   HG21  ILE  15          HG21      ILE  15   7.019  27.521  -0.473
  134   HG22  ILE  15          HG22      ILE  15   6.038  26.493  -1.516
  135   HG23  ILE  15          HG23      ILE  15   5.408  28.045  -0.963
  136   HD11  ILE  15          HD11      ILE  15   7.635  25.312   0.559
  137   HD12  ILE  15          HD12      ILE  15   8.497  26.600   1.402
  138   HD13  ILE  15          HD13      ILE  15   7.893  25.208   2.300
  139    H    ALA  16           H        ALA  16   2.770  25.166   0.028
  140    HA   ALA  16           HA       ALA  16   2.171  26.083  -2.580
  141    HB1  ALA  16           HB1      ALA  16   0.773  24.126  -2.770
  142    HB2  ALA  16           HB2      ALA  16   2.270  23.699  -1.941
  143    HB3  ALA  16           HB3      ALA  16   0.781  23.910  -1.020
  144    H    TYR  17           H        TYR  17   0.677  26.595   0.479
  145    HA   TYR  17           HA       TYR  17  -1.835  27.470  -0.726
  146    HB2  TYR  17           HB2      TYR  17  -0.950  26.695   1.984
  147    HB3  TYR  17           HB3      TYR  17  -2.131  27.999   1.920
  148    HD1  TYR  17           HD1      TYR  17  -4.232  27.198   2.425
  149    HD2  TYR  17           HD2      TYR  17  -1.687  24.844  -0.042
  150    HE1  TYR  17           HE1      TYR  17  -6.038  25.552   2.143
  151    HE2  TYR  17           HE2      TYR  17  -3.486  23.192  -0.332
  152    HH   TYR  17           HH       TYR  17  -5.692  22.802  -0.038
  153    H    SER  18           H        SER  18   1.093  28.733   0.618
  154    HA   SER  18           HA       SER  18   0.059  31.395   1.030
  155    HB2  SER  18           HB2      SER  18   1.831  30.717   2.488
  156    HB3  SER  18           HB3      SER  18   2.848  30.234   1.131
  157    HG   SER  18           HG       SER  18   3.361  32.270   0.766
  158    H    LEU  19           H        LEU  19   1.528  29.610  -1.536
  159    HA   LEU  19           HA       LEU  19   2.272  31.971  -3.044
  160    HB2  LEU  19           HB2      LEU  19   2.745  29.101  -3.207
  161    HB3  LEU  19           HB3      LEU  19   2.404  29.831  -4.774
  162    HG   LEU  19           HG       LEU  19   4.248  31.496  -4.229
  163   HD11  LEU  19          HD11      LEU  19   5.093  31.438  -2.178
  164   HD12  LEU  19          HD12      LEU  19   5.820  29.884  -2.584
  165   HD13  LEU  19          HD13      LEU  19   4.239  29.941  -1.805
  166   HD21  LEU  19          HD21      LEU  19   5.812  30.171  -5.273
  167   HD22  LEU  19          HD22      LEU  19   4.319  29.325  -5.679
  168   HD23  LEU  19          HD23      LEU  19   5.347  28.726  -4.376
  169    H    LEU  20           H        LEU  20  -0.088  29.328  -3.327
  170    HA   LEU  20           HA       LEU  20  -1.347  30.394  -5.647
  171    HB2  LEU  20           HB2      LEU  20  -1.420  28.006  -4.287
  172    HB3  LEU  20           HB3      LEU  20  -3.011  28.691  -3.962
  173    HG   LEU  20           HG       LEU  20  -2.974  29.030  -6.601
  174   HD11  LEU  20          HD11      LEU  20  -1.752  27.480  -7.798
  175   HD12  LEU  20          HD12      LEU  20  -1.493  26.442  -6.396
  176   HD13  LEU  20          HD13      LEU  20  -0.610  27.961  -6.543
  177   HD21  LEU  20          HD21      LEU  20  -4.274  27.017  -6.787
  178   HD22  LEU  20          HD22      LEU  20  -4.622  27.776  -5.234
  179   HD23  LEU  20          HD23      LEU  20  -3.560  26.369  -5.310
  180    H    GLY  21           H        GLY  21  -1.575  31.075  -2.291
  181    HA2  GLY  21           HA2      GLY  21  -4.248  32.130  -2.339
  182    HA3  GLY  21           HA3      GLY  21  -3.078  32.310  -1.040
  183    H    LEU  22           H        LEU  22  -1.043  33.425  -2.858
  184    HA   LEU  22           HA       LEU  22  -2.131  36.146  -2.976
  185    HB2  LEU  22           HB2      LEU  22   0.150  35.227  -1.833
  186    HB3  LEU  22           HB3      LEU  22   0.748  35.729  -3.413
  187    HG   LEU  22           HG       LEU  22  -0.918  37.652  -1.870
  188   HD11  LEU  22          HD11      LEU  22   1.122  38.451  -0.706
  189   HD12  LEU  22          HD12      LEU  22   1.950  36.985  -1.231
  190   HD13  LEU  22          HD13      LEU  22   0.562  36.874  -0.149
  191   HD21  LEU  22          HD21      LEU  22   1.396  37.797  -3.785
  192   HD22  LEU  22          HD22      LEU  22   0.815  39.197  -2.883
  193   HD23  LEU  22          HD23      LEU  22  -0.255  38.372  -4.017
  194    H    LYS  23           H        LYS  23  -0.771  33.613  -4.930
  195    HA   LYS  23           HA       LYS  23  -0.300  35.264  -7.233
  196    HB2  LYS  23           HB2      LYS  23  -0.352  32.278  -6.808
  197    HB3  LYS  23           HB3      LYS  23  -0.069  33.005  -8.385
  198    HG2  LYS  23           HG2      LYS  23   1.643  34.123  -6.324
  199    HG3  LYS  23           HG3      LYS  23   1.844  32.379  -6.510
  200    HD2  LYS  23           HD2      LYS  23   3.324  33.109  -8.091
  201    HD3  LYS  23           HD3      LYS  23   1.863  33.015  -9.076
  202    HE2  LYS  23           HE2      LYS  23   1.536  35.336  -9.006
  203    HE3  LYS  23           HE3      LYS  23   2.640  35.538  -7.647
  204    HZ1  LYS  23           HZ1      LYS  23   3.293  35.015 -10.480
  205    HZ2  LYS  23           HZ2      LYS  23   4.412  34.707  -9.250
  206    HZ3  LYS  23           HZ3      LYS  23   3.829  36.277  -9.489
  207    H    ASP  24           H        ASP  24  -3.023  33.779  -5.840
  208    HA   ASP  24           HA       ASP  24  -4.499  33.709  -8.364
  209    HB2  ASP  24           HB2      ASP  24  -4.649  31.828  -6.676
  210    HB3  ASP  24           HB3      ASP  24  -5.512  32.946  -5.623
  211    H    GLN  25           H        GLN  25  -4.243  35.519  -5.396
  212    HA   GLN  25           HA       GLN  25  -6.670  37.011  -5.828
  213    HB2  GLN  25           HB2      GLN  25  -6.144  38.168  -3.825
  214    HB3  GLN  25           HB3      GLN  25  -5.667  36.496  -3.563
  215    HG2  GLN  25           HG2      GLN  25  -3.329  37.186  -4.194
  216    HG3  GLN  25           HG3      GLN  25  -3.895  38.854  -4.120
  217   HE21  GLN  25          HE21      GLN  25  -2.696  39.499  -2.399
  218   HE22  GLN  25          HE22      GLN  25  -2.896  38.876  -0.800
  219    H    VAL  26           H        VAL  26  -3.517  37.146  -7.023
  220    HA   VAL  26           HA       VAL  26  -3.822  39.984  -7.755
  221    HB   VAL  26           HB       VAL  26  -1.293  38.335  -7.629
  222   HG11  VAL  26          HG11      VAL  26  -0.380  39.858  -8.960
  223   HG12  VAL  26          HG12      VAL  26  -1.904  40.745  -9.040
  224   HG13  VAL  26          HG13      VAL  26  -0.744  41.096  -7.758
  225   HG21  VAL  26          HG21      VAL  26  -0.708  39.910  -5.785
  226   HG22  VAL  26          HG22      VAL  26  -2.363  40.517  -5.844
  227   HG23  VAL  26          HG23      VAL  26  -2.056  38.835  -5.412
  228    HN1  NH2  27           HN1      NH2  27  -4.744  40.109  -9.713
  229    HN2  NH2  27           HN2      NH2  27  -4.270  39.197 -11.107
  Start of MODEL    4
    1    H1   ACE   1           H1       ACE   1   2.141  16.431 -11.654
    2    H2   ACE   1           H2       ACE   1   1.218  14.916 -11.809
    3    H3   ACE   1           H3       ACE   1   0.363  16.460 -11.576
    4    H    LYS   2           H        LYS   2   3.019  14.673 -10.058
    5    HA   LYS   2           HA       LYS   2   3.416  14.076  -7.897
    6    HB2  LYS   2           HB2      LYS   2   3.124  16.806  -7.960
    7    HB3  LYS   2           HB3      LYS   2   1.989  16.344  -6.699
    8    HG2  LYS   2           HG2      LYS   2   3.944  16.717  -5.528
    9    HG3  LYS   2           HG3      LYS   2   3.951  14.966  -5.750
   10    HD2  LYS   2           HD2      LYS   2   5.914  15.098  -6.783
   11    HD3  LYS   2           HD3      LYS   2   5.207  16.155  -8.007
   12    HE2  LYS   2           HE2      LYS   2   6.705  17.646  -7.239
   13    HE3  LYS   2           HE3      LYS   2   5.522  17.893  -5.956
   14    HZ1  LYS   2           HZ1      LYS   2   8.051  16.396  -5.882
   15    HZ2  LYS   2           HZ2      LYS   2   6.799  15.961  -4.830
   16    HZ3  LYS   2           HZ3      LYS   2   7.442  17.525  -4.779
   17    H    ARG   3           H        ARG   3   1.015  13.064  -9.082
   18    HA   ARG   3           HA       ARG   3  -0.909  13.056  -6.876
   19    HB2  ARG   3           HB2      ARG   3  -1.205  13.040  -9.652
   20    HB3  ARG   3           HB3      ARG   3  -1.621  11.406  -9.153
   21    HG2  ARG   3           HG2      ARG   3  -2.831  13.905  -7.991
   22    HG3  ARG   3           HG3      ARG   3  -3.560  12.931  -9.270
   23    HD2  ARG   3           HD2      ARG   3  -3.609  11.001  -7.766
   24    HD3  ARG   3           HD3      ARG   3  -2.880  11.976  -6.491
   25    HE   ARG   3           HE       ARG   3  -5.626  11.927  -7.249
   26   HH11  ARG   3          HH11      ARG   3  -4.200  15.039  -5.175
   27   HH12  ARG   3          HH12      ARG   3  -3.106  13.977  -5.998
   28   HH21  ARG   3          HH21      ARG   3  -6.457  14.663  -5.272
   29   HH22  ARG   3          HH22      ARG   3  -7.076  13.318  -6.169
   30    H    ILE   4           H        ILE   4   1.790  11.608  -7.082
   31    HA   ILE   4           HA       ILE   4   0.761   9.011  -6.177
   32    HB   ILE   4           HB       ILE   4   3.245   9.277  -7.866
   33   HG12  ILE   4          HG12      ILE   4   1.222   9.825  -9.180
   34   HG13  ILE   4          HG13      ILE   4   1.966   8.319  -9.706
   35   HG21  ILE   4          HG21      ILE   4   3.360   7.376  -6.443
   36   HG22  ILE   4          HG22      ILE   4   1.695   6.925  -6.807
   37   HG23  ILE   4          HG23      ILE   4   2.937   6.793  -8.052
   38   HD11  ILE   4          HD11      ILE   4  -0.700   8.783  -8.900
   39   HD12  ILE   4          HD12      ILE   4   0.044   7.272  -9.423
   40   HD13  ILE   4          HD13      ILE   4   0.041   7.708  -7.715
   41    H    GLY   5           H        GLY   5   1.077   9.793  -4.042
   42    HA2  GLY   5           HA2      GLY   5   2.360   9.566  -2.105
   43    HA3  GLY   5           HA3      GLY   5   3.795   9.392  -3.105
   44    H    VAL   6           H        VAL   6   2.257  11.368  -0.952
   45    HA   VAL   6           HA       VAL   6   3.796  13.705  -1.875
   46    HB   VAL   6           HB       VAL   6   1.156  13.849  -0.417
   47   HG11  VAL   6          HG11      VAL   6   3.015  15.905  -1.577
   48   HG12  VAL   6          HG12      VAL   6   1.318  16.253  -1.243
   49   HG13  VAL   6          HG13      VAL   6   2.398  15.785   0.070
   50   HG21  VAL   6          HG21      VAL   6   0.441  13.135  -2.476
   51   HG22  VAL   6          HG22      VAL   6   0.507  14.877  -2.748
   52   HG23  VAL   6          HG23      VAL   6   1.816  13.844  -3.323
   53    H    ARG   7           H        ARG   7   5.399  12.575  -0.434
   54    HA   ARG   7           HA       ARG   7   4.881  12.985   2.418
   55    HB2  ARG   7           HB2      ARG   7   6.931  11.677   2.777
   56    HB3  ARG   7           HB3      ARG   7   5.771  10.806   1.783
   57    HG2  ARG   7           HG2      ARG   7   7.048  11.012  -0.127
   58    HG3  ARG   7           HG3      ARG   7   7.924  12.416   0.488
   59    HD2  ARG   7           HD2      ARG   7   8.378  10.198   2.226
   60    HD3  ARG   7           HD3      ARG   7   8.691   9.696   0.565
   61    HE   ARG   7           HE       ARG   7   9.914  12.196   1.129
   62   HH11  ARG   7          HH11      ARG   7  11.964   8.830   1.832
   63   HH12  ARG   7          HH12      ARG   7  10.241   8.771   1.658
   64   HH21  ARG   7          HH21      ARG   7  13.067  10.830   1.660
   65   HH22  ARG   7          HH22      ARG   7  12.182  12.287   1.355
   66    H    LEU   8           H        LEU   8   5.177  15.300   0.853
   67    HA   LEU   8           HA       LEU   8   7.841  16.301   0.957
   68    HB2  LEU   8           HB2      LEU   8   5.427  18.063   0.935
   69    HB3  LEU   8           HB3      LEU   8   6.984  18.298   0.144
   70    HG   LEU   8           HG       LEU   8   4.788  16.413  -0.705
   71   HD11  LEU   8          HD11      LEU   8   4.578  17.823  -2.623
   72   HD12  LEU   8          HD12      LEU   8   5.966  18.792  -2.129
   73   HD13  LEU   8          HD13      LEU   8   4.477  18.840  -1.185
   74   HD21  LEU   8          HD21      LEU   8   6.528  16.390  -2.748
   75   HD22  LEU   8          HD22      LEU   8   6.535  15.192  -1.454
   76   HD23  LEU   8          HD23      LEU   8   7.654  16.555  -1.401
   77    HA   PRO   9           HA       PRO   9   8.180  17.668   5.115
   78    HB2  PRO   9           HB2      PRO   9   9.697  19.899   4.810
   79    HB3  PRO   9           HB3      PRO   9  10.342  18.264   4.616
   80    HG2  PRO   9           HG2      PRO   9   9.459  20.214   2.522
   81    HG3  PRO   9           HG3      PRO   9  10.889  19.166   2.543
   82    HD2  PRO   9           HD2      PRO   9   8.655  18.554   1.142
   83    HD3  PRO   9           HD3      PRO   9   9.696  17.313   1.867
   84    H    GLY  10           H        GLY  10   8.050  19.811   6.447
   85    HA2  GLY  10           HA2      GLY  10   5.475  21.002   5.790
   86    HA3  GLY  10           HA3      GLY  10   6.339  21.157   7.313
   87    H    HIS  11           H        HIS  11   8.762  21.802   5.445
   88    HA   HIS  11           HA       HIS  11   8.523  24.636   5.718
   89    HB2  HIS  11           HB2      HIS  11  10.614  22.724   4.865
   90    HB3  HIS  11           HB3      HIS  11  10.731  24.342   4.179
   91    HD1  HIS  11           HD1      HIS  11  10.554  22.652   7.570
   92    HD2  HIS  11           HD2      HIS  11  11.868  26.188   5.827
   93    HE1  HIS  11           HE1      HIS  11  11.768  23.890   9.392
   94    H    GLN  12           H        GLN  12   7.833  22.375   3.219
   95    HA   GLN  12           HA       GLN  12   7.911  24.342   1.094
   96    HB2  GLN  12           HB2      GLN  12   7.596  21.428   1.297
   97    HB3  GLN  12           HB3      GLN  12   6.612  22.172   0.044
   98    HG2  GLN  12           HG2      GLN  12   8.777  23.332  -0.689
   99    HG3  GLN  12           HG3      GLN  12   9.591  22.134   0.316
  100   HE21  GLN  12          HE21      GLN  12   8.927  22.779  -2.732
  101   HE22  GLN  12          HE22      GLN  12   8.723  21.189  -3.377
  102    H    LYS  13           H        LYS  13   5.597  22.950   3.270
  103    HA   LYS  13           HA       LYS  13   3.213  23.426   1.912
  104    HB2  LYS  13           HB2      LYS  13   3.904  23.397   4.841
  105    HB3  LYS  13           HB3      LYS  13   2.262  23.701   4.289
  106    HG2  LYS  13           HG2      LYS  13   2.979  21.434   2.904
  107    HG3  LYS  13           HG3      LYS  13   3.734  21.206   4.483
  108    HD2  LYS  13           HD2      LYS  13   1.702  21.256   5.602
  109    HD3  LYS  13           HD3      LYS  13   0.886  22.108   4.289
  110    HE2  LYS  13           HE2      LYS  13   1.967  19.451   3.614
  111    HE3  LYS  13           HE3      LYS  13   0.636  19.460   4.770
  112    HZ1  LYS  13           HZ1      LYS  13  -0.388  19.321   2.702
  113    HZ2  LYS  13           HZ2      LYS  13   0.657  20.440   1.984
  114    HZ3  LYS  13           HZ3      LYS  13  -0.514  20.964   3.086
  115    H    ARG  14           H        ARG  14   5.158  25.590   3.921
  116    HA   ARG  14           HA       ARG  14   3.390  27.755   4.014
  117    HB2  ARG  14           HB2      ARG  14   5.717  27.304   5.186
  118    HB3  ARG  14           HB3      ARG  14   6.330  28.241   3.830
  119    HG2  ARG  14           HG2      ARG  14   4.147  29.685   4.814
  120    HG3  ARG  14           HG3      ARG  14   5.042  29.135   6.232
  121    HD2  ARG  14           HD2      ARG  14   5.837  31.314   5.458
  122    HD3  ARG  14           HD3      ARG  14   7.092  30.083   5.322
  123    HE   ARG  14           HE       ARG  14   5.862  30.132   2.871
  124   HH11  ARG  14          HH11      ARG  14   8.086  33.389   3.563
  125   HH12  ARG  14          HH12      ARG  14   7.504  32.443   4.892
  126   HH21  ARG  14          HH21      ARG  14   7.583  32.778   1.413
  127   HH22  ARG  14          HH22      ARG  14   6.623  31.370   1.112
  128    H    ILE  15           H        ILE  15   5.282  26.517   1.432
  129    HA   ILE  15           HA       ILE  15   5.250  28.981  -0.096
  130    HB   ILE  15           HB       ILE  15   6.115  26.202  -0.906
  131   HG12  ILE  15          HG12      ILE  15   7.509  27.135   0.875
  132   HG13  ILE  15          HG13      ILE  15   8.398  27.091  -0.644
  133   HG21  ILE  15          HG21      ILE  15   6.304  28.859  -2.303
  134   HG22  ILE  15          HG22      ILE  15   7.305  27.474  -2.736
  135   HG23  ILE  15          HG23      ILE  15   5.551  27.373  -2.882
  136   HD11  ILE  15          HD11      ILE  15   7.172  29.601  -0.555
  137   HD12  ILE  15          HD12      ILE  15   7.818  29.314   1.061
  138   HD13  ILE  15          HD13      ILE  15   8.881  29.224  -0.343
  139    H    ALA  16           H        ALA  16   3.740  25.771  -0.271
  140    HA   ALA  16           HA       ALA  16   2.219  26.286  -2.598
  141    HB1  ALA  16           HB1      ALA  16   2.790  24.040  -1.426
  142    HB2  ALA  16           HB2      ALA  16   1.315  24.350  -0.509
  143    HB3  ALA  16           HB3      ALA  16   1.249  24.216  -2.266
  144    H    TYR  17           H        TYR  17   1.806  27.169   0.705
  145    HA   TYR  17           HA       TYR  17  -1.028  27.772   0.348
  146    HB2  TYR  17           HB2      TYR  17   0.803  27.503   2.669
  147    HB3  TYR  17           HB3      TYR  17  -0.521  28.651   2.836
  148    HD1  TYR  17           HD1      TYR  17  -0.096  25.198   1.448
  149    HD2  TYR  17           HD2      TYR  17  -2.360  27.811   3.929
  150    HE1  TYR  17           HE1      TYR  17  -1.622  23.348   1.995
  151    HE2  TYR  17           HE2      TYR  17  -3.891  25.968   4.483
  152    HH   TYR  17           HH       TYR  17  -4.612  23.817   3.505
  153    H    SER  18           H        SER  18   2.062  29.322   0.404
  154    HA   SER  18           HA       SER  18   0.997  31.978   0.808
  155    HB2  SER  18           HB2      SER  18   3.209  31.545   1.661
  156    HB3  SER  18           HB3      SER  18   3.761  30.982   0.084
  157    HG   SER  18           HG       SER  18   2.712  33.569   0.302
  158    H    LEU  19           H        LEU  19   1.677  29.878  -1.843
  159    HA   LEU  19           HA       LEU  19   1.674  32.021  -3.803
  160    HB2  LEU  19           HB2      LEU  19   2.289  29.150  -3.774
  161    HB3  LEU  19           HB3      LEU  19   1.509  29.722  -5.248
  162    HG   LEU  19           HG       LEU  19   3.327  31.420  -5.463
  163   HD11  LEU  19          HD11      LEU  19   5.346  30.218  -3.947
  164   HD12  LEU  19          HD12      LEU  19   3.979  30.417  -2.852
  165   HD13  LEU  19          HD13      LEU  19   4.630  31.812  -3.712
  166   HD21  LEU  19          HD21      LEU  19   4.276  28.560  -5.359
  167   HD22  LEU  19          HD22      LEU  19   4.961  29.868  -6.324
  168   HD23  LEU  19          HD23      LEU  19   3.340  29.267  -6.676
  169    H    LEU  20           H        LEU  20  -0.405  29.343  -2.790
  170    HA   LEU  20           HA       LEU  20  -2.443  29.974  -4.721
  171    HB2  LEU  20           HB2      LEU  20  -1.795  27.758  -3.212
  172    HB3  LEU  20           HB3      LEU  20  -3.273  28.346  -2.454
  173    HG   LEU  20           HG       LEU  20  -3.804  28.352  -5.198
  174   HD11  LEU  20          HD11      LEU  20  -1.987  26.145  -4.413
  175   HD12  LEU  20          HD12      LEU  20  -2.191  26.949  -5.969
  176   HD13  LEU  20          HD13      LEU  20  -3.367  25.747  -5.438
  177   HD21  LEU  20          HD21      LEU  20  -4.577  26.629  -2.874
  178   HD22  LEU  20          HD22      LEU  20  -5.189  26.291  -4.493
  179   HD23  LEU  20          HD23      LEU  20  -5.529  27.843  -3.728
  180    H    GLY  21           H        GLY  21  -1.482  31.473  -1.964
  181    HA2  GLY  21           HA2      GLY  21  -4.213  32.253  -1.183
  182    HA3  GLY  21           HA3      GLY  21  -2.781  32.440  -0.181
  183    H    LEU  22           H        LEU  22  -1.391  33.404  -2.756
  184    HA   LEU  22           HA       LEU  22  -2.430  36.159  -2.627
  185    HB2  LEU  22           HB2      LEU  22   0.070  35.257  -1.921
  186    HB3  LEU  22           HB3      LEU  22   0.316  35.853  -3.561
  187    HG   LEU  22           HG       LEU  22   0.868  37.595  -2.010
  188   HD11  LEU  22          HD11      LEU  22  -0.320  38.205  -4.097
  189   HD12  LEU  22          HD12      LEU  22  -0.569  39.357  -2.785
  190   HD13  LEU  22          HD13      LEU  22  -1.835  38.200  -3.195
  191   HD21  LEU  22          HD21      LEU  22  -0.780  36.536  -0.257
  192   HD22  LEU  22          HD22      LEU  22  -1.904  37.719  -0.928
  193   HD23  LEU  22          HD23      LEU  22  -0.384  38.254  -0.209
  194    H    LYS  23           H        LYS  23  -1.495  33.520  -4.650
  195    HA   LYS  23           HA       LYS  23  -1.745  35.168  -7.063
  196    HB2  LYS  23           HB2      LYS  23   0.080  33.251  -6.465
  197    HB3  LYS  23           HB3      LYS  23  -1.118  32.293  -7.326
  198    HG2  LYS  23           HG2      LYS  23   0.008  32.920  -9.151
  199    HG3  LYS  23           HG3      LYS  23  -0.872  34.440  -8.972
  200    HD2  LYS  23           HD2      LYS  23   1.747  33.988  -7.580
  201    HD3  LYS  23           HD3      LYS  23   1.687  34.529  -9.259
  202    HE2  LYS  23           HE2      LYS  23   0.177  36.394  -8.469
  203    HE3  LYS  23           HE3      LYS  23   0.586  35.914  -6.823
  204    HZ1  LYS  23           HZ1      LYS  23   1.977  37.736  -7.660
  205    HZ2  LYS  23           HZ2      LYS  23   2.560  36.729  -8.887
  206    HZ3  LYS  23           HZ3      LYS  23   2.891  36.368  -7.268
  207    H    ASP  24           H        ASP  24  -3.723  33.512  -5.079
  208    HA   ASP  24           HA       ASP  24  -5.491  32.678  -7.285
  209    HB2  ASP  24           HB2      ASP  24  -4.487  31.008  -5.396
  210    HB3  ASP  24           HB3      ASP  24  -5.980  31.519  -4.612
  211    H    GLN  25           H        GLN  25  -5.199  34.337  -4.223
  212    HA   GLN  25           HA       GLN  25  -8.029  35.081  -4.287
  213    HB2  GLN  25           HB2      GLN  25  -6.181  34.562  -2.203
  214    HB3  GLN  25           HB3      GLN  25  -6.614  36.263  -2.094
  215    HG2  GLN  25           HG2      GLN  25  -8.758  34.216  -2.405
  216    HG3  GLN  25           HG3      GLN  25  -8.004  34.466  -0.831
  217   HE21  GLN  25          HE21      GLN  25 -10.267  35.607  -3.090
  218   HE22  GLN  25          HE22      GLN  25 -10.748  37.035  -2.246
  219    H    VAL  26           H        VAL  26  -5.949  36.117  -6.155
  220    HA   VAL  26           HA       VAL  26  -5.270  38.770  -5.508
  221    HB   VAL  26           HB       VAL  26  -4.206  37.525  -7.346
  222   HG11  VAL  26          HG11      VAL  26  -5.333  37.229  -9.473
  223   HG12  VAL  26          HG12      VAL  26  -6.232  36.414  -8.193
  224   HG13  VAL  26          HG13      VAL  26  -6.800  37.960  -8.823
  225   HG21  VAL  26          HG21      VAL  26  -4.173  39.372  -8.989
  226   HG22  VAL  26          HG22      VAL  26  -5.553  40.098  -8.166
  227   HG23  VAL  26          HG23      VAL  26  -4.011  39.935  -7.325
  228    HN1  NH2  27           HN1      NH2  27  -8.201  37.320  -6.753
  229    HN2  NH2  27           HN2      NH2  27  -9.115  38.783  -6.908
  Start of MODEL    5
    1    H1   ACE   1           H1       ACE   1  -4.142   8.520   3.640
    2    H2   ACE   1           H2       ACE   1  -3.791   7.076   2.660
    3    H3   ACE   1           H3       ACE   1  -3.206   7.176   4.339
    4    H    LYS   2           H        LYS   2  -1.441   6.569   2.460
    5    HA   LYS   2           HA       LYS   2   0.086   9.062   2.081
    6    HB2  LYS   2           HB2      LYS   2   0.803   7.020   3.718
    7    HB3  LYS   2           HB3      LYS   2   1.580   6.518   2.223
    8    HG2  LYS   2           HG2      LYS   2   2.016   9.328   2.823
    9    HG3  LYS   2           HG3      LYS   2   2.612   8.252   4.089
   10    HD2  LYS   2           HD2      LYS   2   3.713   6.926   2.204
   11    HD3  LYS   2           HD3      LYS   2   3.371   8.324   1.181
   12    HE2  LYS   2           HE2      LYS   2   4.546   9.242   3.606
   13    HE3  LYS   2           HE3      LYS   2   5.535   7.927   2.971
   14    HZ1  LYS   2           HZ1      LYS   2   5.274  10.595   2.026
   15    HZ2  LYS   2           HZ2      LYS   2   4.917   9.490   0.797
   16    HZ3  LYS   2           HZ3      LYS   2   6.406   9.413   1.596
   17    H    ARG   3           H        ARG   3  -1.774   7.724   0.228
   18    HA   ARG   3           HA       ARG   3   0.066   6.827  -1.876
   19    HB2  ARG   3           HB2      ARG   3  -2.334   5.775  -1.038
   20    HB3  ARG   3           HB3      ARG   3  -2.804   6.706  -2.453
   21    HG2  ARG   3           HG2      ARG   3  -0.611   4.645  -2.428
   22    HG3  ARG   3           HG3      ARG   3  -2.273   4.336  -2.935
   23    HD2  ARG   3           HD2      ARG   3  -2.038   6.070  -4.670
   24    HD3  ARG   3           HD3      ARG   3  -0.361   6.309  -4.180
   25    HE   ARG   3           HE       ARG   3  -0.537   3.643  -4.740
   26   HH11  ARG   3          HH11      ARG   3  -0.848   5.898  -8.034
   27   HH12  ARG   3          HH12      ARG   3  -1.215   6.580  -6.484
   28   HH21  ARG   3          HH21      ARG   3  -0.187   3.711  -8.199
   29   HH22  ARG   3          HH22      ARG   3  -0.051   2.735  -6.775
   30    H    ILE   4           H        ILE   4  -0.653   9.661  -0.924
   31    HA   ILE   4           HA       ILE   4  -1.427  10.718  -3.565
   32    HB   ILE   4           HB       ILE   4  -1.748  12.154  -0.932
   33   HG12  ILE   4          HG12      ILE   4  -4.283  11.630  -1.731
   34   HG13  ILE   4          HG13      ILE   4  -3.471  10.175  -2.300
   35   HG21  ILE   4          HG21      ILE   4  -2.259  13.924  -2.166
   36   HG22  ILE   4          HG22      ILE   4  -1.863  13.006  -3.618
   37   HG23  ILE   4          HG23      ILE   4  -3.515  13.010  -3.001
   38   HD11  ILE   4          HD11      ILE   4  -3.393   9.343  -0.252
   39   HD12  ILE   4          HD12      ILE   4  -2.672  10.819   0.389
   40   HD13  ILE   4          HD13      ILE   4  -4.425  10.680   0.256
   41    H    GLY   5           H        GLY   5   0.913  10.730  -1.020
   42    HA2  GLY   5           HA2      GLY   5   3.138  11.422  -1.224
   43    HA3  GLY   5           HA3      GLY   5   2.709  12.297  -2.686
   44    H    VAL   6           H        VAL   6   3.673  12.651   0.445
   45    HA   VAL   6           HA       VAL   6   2.463  15.331   0.658
   46    HB   VAL   6           HB       VAL   6   1.834  13.818   2.502
   47   HG11  VAL   6          HG11      VAL   6   4.722  13.859   3.340
   48   HG12  VAL   6          HG12      VAL   6   3.399  12.905   4.014
   49   HG13  VAL   6          HG13      VAL   6   4.021  12.539   2.404
   50   HG21  VAL   6          HG21      VAL   6   1.777  15.579   3.868
   51   HG22  VAL   6          HG22      VAL   6   3.534  15.610   4.022
   52   HG23  VAL   6          HG23      VAL   6   2.753  16.427   2.668
   53    H    ARG   7           H        ARG   7   5.380  13.523   0.433
   54    HA   ARG   7           HA       ARG   7   6.986  15.889   1.110
   55    HB2  ARG   7           HB2      ARG   7   7.739  12.974   0.862
   56    HB3  ARG   7           HB3      ARG   7   8.904  14.267   1.116
   57    HG2  ARG   7           HG2      ARG   7   7.033  14.674   3.107
   58    HG3  ARG   7           HG3      ARG   7   7.183  12.918   3.014
   59    HD2  ARG   7           HD2      ARG   7   9.734  13.396   2.994
   60    HD3  ARG   7           HD3      ARG   7   9.269  14.968   3.643
   61    HE   ARG   7           HE       ARG   7   8.068  12.832   5.093
   62   HH11  ARG   7          HH11      ARG   7  11.607  14.279   6.280
   63   HH12  ARG   7          HH12      ARG   7  11.037  14.602   4.677
   64   HH21  ARG   7          HH21      ARG   7  10.338  13.026   7.719
   65   HH22  ARG   7          HH22      ARG   7   8.808  12.400   7.207
   66    H    LEU   8           H        LEU   8   5.531  15.706  -1.364
   67    HA   LEU   8           HA       LEU   8   6.949  14.835  -3.562
   68    HB2  LEU   8           HB2      LEU   8   5.849  16.856  -4.721
   69    HB3  LEU   8           HB3      LEU   8   4.822  15.602  -4.028
   70    HG   LEU   8           HG       LEU   8   5.329  17.736  -2.135
   71   HD11  LEU   8          HD11      LEU   8   3.932  19.418  -3.309
   72   HD12  LEU   8          HD12      LEU   8   4.078  18.457  -4.780
   73   HD13  LEU   8          HD13      LEU   8   5.514  19.172  -4.047
   74   HD21  LEU   8          HD21      LEU   8   3.561  16.300  -1.666
   75   HD22  LEU   8          HD22      LEU   8   2.963  16.335  -3.325
   76   HD23  LEU   8          HD23      LEU   8   2.757  17.744  -2.283
   77    HA   PRO   9           HA       PRO   9  10.523  17.344  -4.002
   78    HB2  PRO   9           HB2      PRO   9  10.665  17.644  -6.697
   79    HB3  PRO   9           HB3      PRO   9  11.022  16.117  -5.880
   80    HG2  PRO   9           HG2      PRO   9   8.515  16.981  -7.270
   81    HG3  PRO   9           HG3      PRO   9   9.349  15.417  -7.335
   82    HD2  PRO   9           HD2      PRO   9   7.160  15.839  -5.798
   83    HD3  PRO   9           HD3      PRO   9   8.452  14.714  -5.332
   84    H    GLY  10           H        GLY  10  11.297  19.448  -4.517
   85    HA2  GLY  10           HA2      GLY  10  11.141  21.708  -4.953
   86    HA3  GLY  10           HA3      GLY  10   9.636  21.390  -5.803
   87    H    HIS  11           H        HIS  11  11.040  22.724  -3.051
   88    HA   HIS  11           HA       HIS  11   8.545  22.637  -1.518
   89    HB2  HIS  11           HB2      HIS  11  11.294  22.626  -0.799
   90    HB3  HIS  11           HB3      HIS  11  10.592  24.117  -0.178
   91    HD1  HIS  11           HD1      HIS  11   8.365  23.742   1.343
   92    HD2  HIS  11           HD2      HIS  11  10.808  20.437   0.735
   93    HE1  HIS  11           HE1      HIS  11   7.727  22.096   3.133
   94    H    GLN  12           H        GLN  12  10.456  24.722  -3.477
   95    HA   GLN  12           HA       GLN  12   9.518  27.209  -2.474
   96    HB2  GLN  12           HB2      GLN  12  10.905  26.324  -4.975
   97    HB3  GLN  12           HB3      GLN  12  10.236  27.947  -4.886
   98    HG2  GLN  12           HG2      GLN  12  11.707  28.610  -3.239
   99    HG3  GLN  12           HG3      GLN  12  12.026  26.957  -2.715
  100   HE21  GLN  12          HE21      GLN  12  13.498  29.458  -4.003
  101   HE22  GLN  12          HE22      GLN  12  14.619  28.686  -5.067
  102    H    LYS  13           H        LYS  13   8.277  24.886  -4.749
  103    HA   LYS  13           HA       LYS  13   6.450  26.510  -6.128
  104    HB2  LYS  13           HB2      LYS  13   6.226  23.572  -5.448
  105    HB3  LYS  13           HB3      LYS  13   5.282  24.412  -6.671
  106    HG2  LYS  13           HG2      LYS  13   8.053  24.879  -7.158
  107    HG3  LYS  13           HG3      LYS  13   7.781  23.147  -6.958
  108    HD2  LYS  13           HD2      LYS  13   5.987  24.790  -8.709
  109    HD3  LYS  13           HD3      LYS  13   7.534  24.190  -9.312
  110    HE2  LYS  13           HE2      LYS  13   5.436  22.427  -8.061
  111    HE3  LYS  13           HE3      LYS  13   5.541  22.730  -9.794
  112    HZ1  LYS  13           HZ1      LYS  13   7.467  21.539  -9.981
  113    HZ2  LYS  13           HZ2      LYS  13   6.710  20.675  -8.740
  114    HZ3  LYS  13           HZ3      LYS  13   7.930  21.788  -8.373
  115    H    ARG  14           H        ARG  14   6.266  24.904  -3.016
  116    HA   ARG  14           HA       ARG  14   3.461  25.370  -2.656
  117    HB2  ARG  14           HB2      ARG  14   4.908  23.565  -1.539
  118    HB3  ARG  14           HB3      ARG  14   5.439  24.840  -0.450
  119    HG2  ARG  14           HG2      ARG  14   2.673  25.043  -0.445
  120    HG3  ARG  14           HG3      ARG  14   2.994  23.307  -0.447
  121    HD2  ARG  14           HD2      ARG  14   2.851  24.146   1.829
  122    HD3  ARG  14           HD3      ARG  14   4.487  23.590   1.476
  123    HE   ARG  14           HE       ARG  14   4.608  26.233   0.929
  124   HH11  ARG  14          HH11      ARG  14   3.910  25.648   4.827
  125   HH12  ARG  14          HH12      ARG  14   3.502  24.413   3.683
  126   HH21  ARG  14          HH21      ARG  14   4.847  27.612   4.111
  127   HH22  ARG  14          HH22      ARG  14   5.150  27.866   2.425
  128    H    ILE  15           H        ILE  15   6.294  27.245  -2.283
  129    HA   ILE  15           HA       ILE  15   5.131  29.072  -0.353
  130    HB   ILE  15           HB       ILE  15   7.731  29.257  -1.879
  131   HG12  ILE  15          HG12      ILE  15   7.260  28.518   1.015
  132   HG13  ILE  15          HG13      ILE  15   7.518  27.341  -0.268
  133   HG21  ILE  15          HG21      ILE  15   7.990  30.792   0.373
  134   HG22  ILE  15          HG22      ILE  15   7.650  31.400  -1.247
  135   HG23  ILE  15          HG23      ILE  15   6.326  31.113  -0.117
  136   HD11  ILE  15          HD11      ILE  15   9.646  27.488   0.439
  137   HD12  ILE  15          HD12      ILE  15   9.673  28.888  -0.634
  138   HD13  ILE  15          HD13      ILE  15   9.430  29.110   1.098
  139    H    ALA  16           H        ALA  16   6.177  29.178  -3.751
  140    HA   ALA  16           HA       ALA  16   5.260  31.826  -4.210
  141    HB1  ALA  16           HB1      ALA  16   6.766  29.957  -5.613
  142    HB2  ALA  16           HB2      ALA  16   5.329  30.211  -6.604
  143    HB3  ALA  16           HB3      ALA  16   6.335  31.584  -6.141
  144    H    TYR  17           H        TYR  17   3.688  28.778  -4.080
  145    HA   TYR  17           HA       TYR  17   1.378  29.708  -5.600
  146    HB2  TYR  17           HB2      TYR  17   2.217  27.389  -5.910
  147    HB3  TYR  17           HB3      TYR  17   1.827  27.050  -4.227
  148    HD1  TYR  17           HD1      TYR  17   0.229  28.261  -7.376
  149    HD2  TYR  17           HD2      TYR  17  -0.247  26.154  -3.710
  150    HE1  TYR  17           HE1      TYR  17  -2.056  27.637  -8.038
  151    HE2  TYR  17           HE2      TYR  17  -2.533  25.522  -4.363
  152    HH   TYR  17           HH       TYR  17  -3.675  25.566  -7.337
  153    H    SER  18           H        SER  18   2.447  29.319  -2.343
  154    HA   SER  18           HA       SER  18  -0.159  29.305  -1.146
  155    HB2  SER  18           HB2      SER  18   1.192  29.812   0.968
  156    HB3  SER  18           HB3      SER  18   1.549  28.293   0.147
  157    HG   SER  18           HG       SER  18   3.016  30.714  -0.083
  158    H    LEU  19           H        LEU  19   2.356  31.737  -1.687
  159    HA   LEU  19           HA       LEU  19   0.983  33.847  -0.372
  160    HB2  LEU  19           HB2      LEU  19   3.473  33.462  -1.684
  161    HB3  LEU  19           HB3      LEU  19   2.697  34.878  -2.390
  162    HG   LEU  19           HG       LEU  19   4.191  35.535  -0.602
  163   HD11  LEU  19          HD11      LEU  19   1.258  35.831  -0.011
  164   HD12  LEU  19          HD12      LEU  19   2.320  36.958  -0.855
  165   HD13  LEU  19          HD13      LEU  19   2.514  36.693   0.878
  166   HD21  LEU  19          HD21      LEU  19   3.917  34.817   1.664
  167   HD22  LEU  19          HD22      LEU  19   4.049  33.382   0.648
  168   HD23  LEU  19          HD23      LEU  19   2.472  33.894   1.251
  169    H    LEU  20           H        LEU  20   1.306  32.921  -3.785
  170    HA   LEU  20           HA       LEU  20  -0.345  35.039  -4.745
  171    HB2  LEU  20           HB2      LEU  20   0.995  32.667  -5.872
  172    HB3  LEU  20           HB3      LEU  20  -0.439  33.219  -6.734
  173    HG   LEU  20           HG       LEU  20   1.560  34.147  -7.736
  174   HD11  LEU  20          HD11      LEU  20   0.521  36.069  -8.161
  175   HD12  LEU  20          HD12      LEU  20   0.665  36.610  -6.489
  176   HD13  LEU  20          HD13      LEU  20  -0.676  35.569  -6.966
  177   HD21  LEU  20          HD21      LEU  20   2.745  34.095  -5.395
  178   HD22  LEU  20          HD22      LEU  20   2.152  35.754  -5.298
  179   HD23  LEU  20          HD23      LEU  20   3.216  35.273  -6.621
  180    H    GLY  21           H        GLY  21  -0.969  31.989  -3.323
  181    HA2  GLY  21           HA2      GLY  21  -3.565  31.606  -4.521
  182    HA3  GLY  21           HA3      GLY  21  -2.877  30.677  -3.197
  183    H    LEU  22           H        LEU  22  -2.312  33.232  -1.722
  184    HA   LEU  22           HA       LEU  22  -5.038  33.607  -0.690
  185    HB2  LEU  22           HB2      LEU  22  -2.797  32.861   0.641
  186    HB3  LEU  22           HB3      LEU  22  -2.763  34.606   0.884
  187    HG   LEU  22           HG       LEU  22  -5.219  34.276   1.680
  188   HD11  LEU  22          HD11      LEU  22  -5.291  31.898   0.941
  189   HD12  LEU  22          HD12      LEU  22  -5.720  32.144   2.634
  190   HD13  LEU  22          HD13      LEU  22  -4.125  31.520   2.210
  191   HD21  LEU  22          HD21      LEU  22  -2.675  33.713   3.126
  192   HD22  LEU  22          HD22      LEU  22  -4.208  33.489   3.969
  193   HD23  LEU  22          HD23      LEU  22  -3.794  35.066   3.295
  194    H    LYS  23           H        LYS  23  -2.295  35.240  -2.049
  195    HA   LYS  23           HA       LYS  23  -3.234  37.886  -1.379
  196    HB2  LYS  23           HB2      LYS  23  -1.005  36.891  -3.155
  197    HB3  LYS  23           HB3      LYS  23  -1.370  38.597  -2.933
  198    HG2  LYS  23           HG2      LYS  23  -0.632  36.697  -0.717
  199    HG3  LYS  23           HG3      LYS  23   0.485  37.803  -1.518
  200    HD2  LYS  23           HD2      LYS  23  -0.085  39.306   0.029
  201    HD3  LYS  23           HD3      LYS  23  -1.647  39.415  -0.786
  202    HE2  LYS  23           HE2      LYS  23  -2.425  38.878   1.267
  203    HE3  LYS  23           HE3      LYS  23  -2.078  37.239   0.721
  204    HZ1  LYS  23           HZ1      LYS  23  -1.151  37.520   2.878
  205    HZ2  LYS  23           HZ2      LYS  23  -0.366  38.951   2.435
  206    HZ3  LYS  23           HZ3      LYS  23   0.137  37.474   1.782
  207    H    ASP  24           H        ASP  24  -3.941  35.589  -3.755
  208    HA   ASP  24           HA       ASP  24  -4.984  37.650  -5.579
  209    HB2  ASP  24           HB2      ASP  24  -3.332  35.759  -6.337
  210    HB3  ASP  24           HB3      ASP  24  -4.781  34.758  -6.334
  211    H    GLN  25           H        GLN  25  -5.819  34.969  -3.543
  212    HA   GLN  25           HA       GLN  25  -8.589  35.007  -4.494
  213    HB2  GLN  25           HB2      GLN  25  -7.004  32.899  -3.863
  214    HB3  GLN  25           HB3      GLN  25  -7.825  33.151  -2.328
  215    HG2  GLN  25           HG2      GLN  25  -9.303  32.900  -4.928
  216    HG3  GLN  25           HG3      GLN  25  -8.881  31.509  -3.930
  217   HE21  GLN  25          HE21      GLN  25 -11.094  33.998  -4.470
  218   HE22  GLN  25          HE22      GLN  25 -12.071  33.770  -3.063
  219    H    VAL  26           H        VAL  26  -7.264  37.111  -2.815
  220    HA   VAL  26           HA       VAL  26  -7.694  38.403  -0.983
  221    HB   VAL  26           HB       VAL  26 -10.455  37.257  -1.419
  222   HG11  VAL  26          HG11      VAL  26 -10.754  38.134   0.657
  223   HG12  VAL  26          HG12      VAL  26  -9.410  39.266   0.495
  224   HG13  VAL  26          HG13      VAL  26 -10.955  39.611  -0.285
  225   HG21  VAL  26          HG21      VAL  26  -9.503  39.987  -2.210
  226   HG22  VAL  26          HG22      VAL  26  -9.252  38.595  -3.263
  227   HG23  VAL  26          HG23      VAL  26 -10.888  39.075  -2.812
  228    HN1  NH2  27           HN1      NH2  27  -6.360  37.246   0.477
  229    HN2  NH2  27           HN2      NH2  27  -7.034  36.234   1.711
  Start of MODEL    6
    1    H1   ACE   1           H1       ACE   1   7.691  10.001  -9.239
    2    H2   ACE   1           H2       ACE   1   8.098   8.534  -8.317
    3    H3   ACE   1           H3       ACE   1   7.265   8.398  -9.885
    4    H    LYS   2           H        LYS   2   5.518   7.338  -9.141
    5    HA   LYS   2           HA       LYS   2   3.644   8.956  -7.566
    6    HB2  LYS   2           HB2      LYS   2   2.993   8.154  -9.862
    7    HB3  LYS   2           HB3      LYS   2   3.038   6.512  -9.235
    8    HG2  LYS   2           HG2      LYS   2   1.423   8.177  -7.542
    9    HG3  LYS   2           HG3      LYS   2   0.882   8.287  -9.219
   10    HD2  LYS   2           HD2      LYS   2   0.887   5.782  -9.291
   11    HD3  LYS   2           HD3      LYS   2   1.203   5.793  -7.554
   12    HE2  LYS   2           HE2      LYS   2  -0.876   6.841  -7.097
   13    HE3  LYS   2           HE3      LYS   2  -1.147   7.199  -8.802
   14    HZ1  LYS   2           HZ1      LYS   2  -1.465   4.901  -9.261
   15    HZ2  LYS   2           HZ2      LYS   2  -2.445   5.288  -7.938
   16    HZ3  LYS   2           HZ3      LYS   2  -0.995   4.449  -7.699
   17    H    ARG   3           H        ARG   3   5.505   6.064  -7.491
   18    HA   ARG   3           HA       ARG   3   4.024   5.085  -5.149
   19    HB2  ARG   3           HB2      ARG   3   4.952   3.723  -7.353
   20    HB3  ARG   3           HB3      ARG   3   6.202   3.407  -6.158
   21    HG2  ARG   3           HG2      ARG   3   3.263   2.926  -5.719
   22    HG3  ARG   3           HG3      ARG   3   4.423   1.692  -6.216
   23    HD2  ARG   3           HD2      ARG   3   5.703   2.086  -4.159
   24    HD3  ARG   3           HD3      ARG   3   4.521   3.297  -3.664
   25    HE   ARG   3           HE       ARG   3   3.039   1.051  -4.079
   26   HH11  ARG   3          HH11      ARG   3   5.454   0.660  -0.911
   27   HH12  ARG   3          HH12      ARG   3   5.832   1.814  -2.146
   28   HH21  ARG   3          HH21      ARG   3   3.577  -0.641  -1.090
   29   HH22  ARG   3          HH22      ARG   3   2.531  -0.472  -2.459
   30    H    ILE   4           H        ILE   4   6.140   7.300  -5.420
   31    HA   ILE   4           HA       ILE   4   8.314   6.291  -3.795
   32    HB   ILE   4           HB       ILE   4   8.854   7.934  -5.487
   33   HG12  ILE   4          HG12      ILE   4  10.054   9.572  -4.098
   34   HG13  ILE   4          HG13      ILE   4   9.067   9.124  -2.711
   35   HG21  ILE   4          HG21      ILE   4   6.465   9.180  -4.576
   36   HG22  ILE   4          HG22      ILE   4   7.792  10.328  -4.413
   37   HG23  ILE   4          HG23      ILE   4   7.456   9.585  -5.977
   38   HD11  ILE   4          HD11      ILE   4  10.116   7.083  -2.465
   39   HD12  ILE   4          HD12      ILE   4  10.698   7.065  -4.131
   40   HD13  ILE   4          HD13      ILE   4  11.438   8.145  -2.949
   41    H    GLY   5           H        GLY   5   5.300   7.926  -3.346
   42    HA2  GLY   5           HA2      GLY   5   4.211   8.025  -1.243
   43    HA3  GLY   5           HA3      GLY   5   5.780   7.933  -0.455
   44    H    VAL   6           H        VAL   6   3.247   9.922  -1.031
   45    HA   VAL   6           HA       VAL   6   4.920  12.315  -0.655
   46    HB   VAL   6           HB       VAL   6   2.408  12.191  -2.331
   47   HG11  VAL   6          HG11      VAL   6   2.325  14.339  -1.594
   48   HG12  VAL   6          HG12      VAL   6   4.059  14.413  -1.271
   49   HG13  VAL   6          HG13      VAL   6   3.460  14.563  -2.924
   50   HG21  VAL   6          HG21      VAL   6   3.775  11.499  -3.952
   51   HG22  VAL   6          HG22      VAL   6   4.490  13.110  -3.904
   52   HG23  VAL   6          HG23      VAL   6   5.212  11.797  -2.974
   53    H    ARG   7           H        ARG   7   4.459  11.849   1.621
   54    HA   ARG   7           HA       ARG   7   1.783  12.808   2.400
   55    HB2  ARG   7           HB2      ARG   7   3.496  10.639   3.566
   56    HB3  ARG   7           HB3      ARG   7   2.343  11.494   4.582
   57    HG2  ARG   7           HG2      ARG   7   0.747  10.870   2.518
   58    HG3  ARG   7           HG3      ARG   7   1.888   9.526   2.438
   59    HD2  ARG   7           HD2      ARG   7   1.421   9.542   5.073
   60    HD3  ARG   7           HD3      ARG   7  -0.112  10.208   4.510
   61    HE   ARG   7           HE       ARG   7  -0.671   8.137   3.732
   62   HH11  ARG   7          HH11      ARG   7   3.012   6.575   3.888
   63   HH12  ARG   7          HH12      ARG   7   2.774   8.260   4.217
   64   HH21  ARG   7          HH21      ARG   7   1.222   5.244   3.364
   65   HH22  ARG   7          HH22      ARG   7  -0.371   5.918   3.297
   66    H    LEU   8           H        LEU   8   4.182  14.374   1.884
   67    HA   LEU   8           HA       LEU   8   5.062  15.221   4.530
   68    HB2  LEU   8           HB2      LEU   8   5.963  15.681   1.740
   69    HB3  LEU   8           HB3      LEU   8   6.318  16.930   2.931
   70    HG   LEU   8           HG       LEU   8   7.243  14.800   4.261
   71   HD11  LEU   8          HD11      LEU   8   7.399  14.089   1.346
   72   HD12  LEU   8          HD12      LEU   8   6.797  13.112   2.685
   73   HD13  LEU   8          HD13      LEU   8   8.523  13.442   2.542
   74   HD21  LEU   8          HD21      LEU   8   8.342  16.917   2.663
   75   HD22  LEU   8          HD22      LEU   8   9.355  15.478   2.546
   76   HD23  LEU   8          HD23      LEU   8   8.984  16.170   4.126
   77    HA   PRO   9           HA       PRO   9   2.488  18.756   4.884
   78    HB2  PRO   9           HB2      PRO   9   4.181  20.623   5.895
   79    HB3  PRO   9           HB3      PRO   9   3.590  19.251   6.839
   80    HG2  PRO   9           HG2      PRO   9   6.209  19.594   5.431
   81    HG3  PRO   9           HG3      PRO   9   5.883  18.923   7.040
   82    HD2  PRO   9           HD2      PRO   9   6.342  17.361   4.876
   83    HD3  PRO   9           HD3      PRO   9   5.261  16.870   6.197
   84    H    GLY  10           H        GLY  10   5.452  19.088   3.053
   85    HA2  GLY  10           HA2      GLY  10   5.746  20.151   1.009
   86    HA3  GLY  10           HA3      GLY  10   4.112  20.787   1.139
   87    H    HIS  11           H        HIS  11   7.411  21.484   1.394
   88    HA   HIS  11           HA       HIS  11   7.090  23.826   3.067
   89    HB2  HIS  11           HB2      HIS  11   9.334  22.308   1.923
   90    HB3  HIS  11           HB3      HIS  11   9.589  24.050   1.975
   91    HD1  HIS  11           HD1      HIS  11   8.583  21.249   4.341
   92    HD2  HIS  11           HD2      HIS  11  10.469  24.951   4.375
   93    HE1  HIS  11           HE1      HIS  11   9.411  21.560   6.695
   94    H    GLN  12           H        GLN  12   7.001  23.036  -0.280
   95    HA   GLN  12           HA       GLN  12   7.419  25.791  -1.124
   96    HB2  GLN  12           HB2      GLN  12   8.062  23.444  -2.315
   97    HB3  GLN  12           HB3      GLN  12   6.524  23.783  -3.098
   98    HG2  GLN  12           HG2      GLN  12   7.685  25.018  -4.527
   99    HG3  GLN  12           HG3      GLN  12   7.830  26.197  -3.225
  100   HE21  GLN  12          HE21      GLN  12   9.370  23.182  -4.293
  101   HE22  GLN  12          HE22      GLN  12  10.991  23.710  -4.011
  102    H    LYS  13           H        LYS  13   4.846  23.517  -0.594
  103    HA   LYS  13           HA       LYS  13   2.807  24.651  -2.116
  104    HB2  LYS  13           HB2      LYS  13   2.998  22.831   0.171
  105    HB3  LYS  13           HB3      LYS  13   1.511  23.769   0.150
  106    HG2  LYS  13           HG2      LYS  13   2.333  22.479  -2.384
  107    HG3  LYS  13           HG3      LYS  13   1.749  21.433  -1.087
  108    HD2  LYS  13           HD2      LYS  13  -0.367  22.309  -1.151
  109    HD3  LYS  13           HD3      LYS  13   0.183  23.877  -1.745
  110    HE2  LYS  13           HE2      LYS  13  -0.086  23.271  -3.878
  111    HE3  LYS  13           HE3      LYS  13   0.714  21.721  -3.621
  112    HZ1  LYS  13           HZ1      LYS  13  -1.327  20.912  -3.999
  113    HZ2  LYS  13           HZ2      LYS  13  -2.107  22.366  -3.625
  114    HZ3  LYS  13           HZ3      LYS  13  -1.622  21.323  -2.384
  115    H    ARG  14           H        ARG  14   3.944  25.459   1.134
  116    HA   ARG  14           HA       ARG  14   1.950  27.299   1.814
  117    HB2  ARG  14           HB2      ARG  14   3.475  26.484   3.489
  118    HB3  ARG  14           HB3      ARG  14   4.854  27.156   2.628
  119    HG2  ARG  14           HG2      ARG  14   2.787  29.106   3.360
  120    HG3  ARG  14           HG3      ARG  14   3.618  28.344   4.717
  121    HD2  ARG  14           HD2      ARG  14   5.471  29.524   4.348
  122    HD3  ARG  14           HD3      ARG  14   5.471  29.108   2.635
  123    HE   ARG  14           HE       ARG  14   4.566  31.156   2.185
  124   HH11  ARG  14          HH11      ARG  14   3.473  32.007   5.941
  125   HH12  ARG  14          HH12      ARG  14   4.103  30.439   5.560
  126   HH21  ARG  14          HH21      ARG  14   3.264  33.590   4.298
  127   HH22  ARG  14          HH22      ARG  14   3.737  33.224   2.674
  128    H    ILE  15           H        ILE  15   4.534  27.525  -0.434
  129    HA   ILE  15           HA       ILE  15   4.558  30.423  -0.485
  130    HB   ILE  15           HB       ILE  15   5.924  28.435  -2.304
  131   HG12  ILE  15          HG12      ILE  15   7.155  30.131  -0.131
  132   HG13  ILE  15          HG13      ILE  15   6.604  28.482   0.147
  133   HG21  ILE  15          HG21      ILE  15   7.362  30.490  -2.807
  134   HG22  ILE  15          HG22      ILE  15   5.761  30.413  -3.541
  135   HG23  ILE  15          HG23      ILE  15   6.033  31.428  -2.125
  136   HD11  ILE  15          HD11      ILE  15   8.991  29.472  -1.240
  137   HD12  ILE  15          HD12      ILE  15   8.727  27.972  -0.350
  138   HD13  ILE  15          HD13      ILE  15   8.170  28.119  -2.017
  139    H    ALA  16           H        ALA  16   3.540  27.775  -2.622
  140    HA   ALA  16           HA       ALA  16   2.556  29.428  -4.694
  141    HB1  ALA  16           HB1      ALA  16   1.135  27.204  -5.080
  142    HB2  ALA  16           HB2      ALA  16   2.846  27.325  -5.493
  143    HB3  ALA  16           HB3      ALA  16   2.356  26.562  -3.981
  144    H    TYR  17           H        TYR  17   1.273  28.506  -1.634
  145    HA   TYR  17           HA       TYR  17  -1.450  29.248  -2.381
  146    HB2  TYR  17           HB2      TYR  17  -0.936  27.239  -0.924
  147    HB3  TYR  17           HB3      TYR  17  -0.468  28.373   0.338
  148    HD1  TYR  17           HD1      TYR  17  -3.324  27.445  -1.864
  149    HD2  TYR  17           HD2      TYR  17  -2.079  29.247   1.784
  150    HE1  TYR  17           HE1      TYR  17  -5.672  27.608  -1.151
  151    HE2  TYR  17           HE2      TYR  17  -4.424  29.413   2.508
  152    HH   TYR  17           HH       TYR  17  -6.589  28.264   2.014
  153    H    SER  18           H        SER  18   1.325  30.507  -0.748
  154    HA   SER  18           HA       SER  18  -0.123  32.600   0.620
  155    HB2  SER  18           HB2      SER  18   1.840  31.811   1.729
  156    HB3  SER  18           HB3      SER  18   2.821  32.015   0.279
  157    HG   SER  18           HG       SER  18   1.689  34.033   1.913
  158    H    LEU  19           H        LEU  19   1.414  32.139  -2.434
  159    HA   LEU  19           HA       LEU  19   1.607  34.981  -2.995
  160    HB2  LEU  19           HB2      LEU  19   2.998  32.793  -3.868
  161    HB3  LEU  19           HB3      LEU  19   1.926  33.118  -5.229
  162    HG   LEU  19           HG       LEU  19   2.815  35.394  -5.384
  163   HD11  LEU  19          HD11      LEU  19   3.859  36.336  -3.674
  164   HD12  LEU  19          HD12      LEU  19   5.165  35.160  -3.820
  165   HD13  LEU  19          HD13      LEU  19   3.785  34.819  -2.777
  166   HD21  LEU  19          HD21      LEU  19   3.859  33.708  -6.738
  167   HD22  LEU  19          HD22      LEU  19   4.875  33.192  -5.391
  168   HD23  LEU  19          HD23      LEU  19   5.110  34.784  -6.115
  169    H    LEU  20           H        LEU  20  -0.308  32.192  -4.033
  170    HA   LEU  20           HA       LEU  20  -1.898  33.751  -5.856
  171    HB2  LEU  20           HB2      LEU  20  -1.354  31.069  -5.541
  172    HB3  LEU  20           HB3      LEU  20  -3.026  31.204  -5.001
  173    HG   LEU  20           HG       LEU  20  -3.172  32.564  -7.322
  174   HD11  LEU  20          HD11      LEU  20  -0.650  31.751  -7.546
  175   HD12  LEU  20          HD12      LEU  20  -1.727  31.889  -8.935
  176   HD13  LEU  20          HD13      LEU  20  -1.450  30.316  -8.189
  177   HD21  LEU  20          HD21      LEU  20  -4.692  30.826  -6.741
  178   HD22  LEU  20          HD22      LEU  20  -3.426  29.602  -6.842
  179   HD23  LEU  20          HD23      LEU  20  -3.992  30.409  -8.305
  180    H    GLY  21           H        GLY  21  -1.801  33.617  -2.577
  181    HA2  GLY  21           HA2      GLY  21  -4.713  33.931  -2.265
  182    HA3  GLY  21           HA3      GLY  21  -3.589  33.560  -0.966
  183    H    LEU  22           H        LEU  22  -1.764  35.683  -2.252
  184    HA   LEU  22           HA       LEU  22  -3.134  38.001  -1.054
  185    HB2  LEU  22           HB2      LEU  22  -0.777  36.829  -0.258
  186    HB3  LEU  22           HB3      LEU  22  -0.229  38.174  -1.257
  187    HG   LEU  22           HG       LEU  22  -2.063  38.420   1.127
  188   HD11  LEU  22          HD11      LEU  22  -0.057  39.533   2.146
  189   HD12  LEU  22          HD12      LEU  22   0.895  38.877   0.815
  190   HD13  LEU  22          HD13      LEU  22   0.076  37.787   1.934
  191   HD21  LEU  22          HD21      LEU  22  -0.991  40.335  -0.885
  192   HD22  LEU  22          HD22      LEU  22  -1.178  40.875   0.783
  193   HD23  LEU  22          HD23      LEU  22  -2.575  40.276  -0.112
  194    H    LYS  23           H        LYS  23  -1.434  36.750  -3.790
  195    HA   LYS  23           HA       LYS  23  -1.314  39.401  -5.037
  196    HB2  LYS  23           HB2      LYS  23   0.636  37.663  -5.006
  197    HB3  LYS  23           HB3      LYS  23  -0.264  36.896  -6.308
  198    HG2  LYS  23           HG2      LYS  23   1.001  38.232  -7.596
  199    HG3  LYS  23           HG3      LYS  23  -0.234  39.430  -7.202
  200    HD2  LYS  23           HD2      LYS  23   2.269  39.045  -5.571
  201    HD3  LYS  23           HD3      LYS  23   2.159  40.183  -6.916
  202    HE2  LYS  23           HE2      LYS  23   0.192  41.216  -5.749
  203    HE3  LYS  23           HE3      LYS  23   0.561  40.193  -4.362
  204    HZ1  LYS  23           HZ1      LYS  23   2.194  42.375  -5.509
  205    HZ2  LYS  23           HZ2      LYS  23   2.856  41.222  -4.464
  206    HZ3  LYS  23           HZ3      LYS  23   1.602  42.225  -3.931
  207    H    ASP  24           H        ASP  24  -3.484  36.994  -4.735
  208    HA   ASP  24           HA       ASP  24  -4.575  37.432  -7.439
  209    HB2  ASP  24           HB2      ASP  24  -3.837  35.019  -6.473
  210    HB3  ASP  24           HB3      ASP  24  -5.505  35.073  -5.908
  211    H    GLN  25           H        GLN  25  -5.208  37.289  -4.004
  212    HA   GLN  25           HA       GLN  25  -8.023  37.552  -4.134
  213    HB2  GLN  25           HB2      GLN  25  -7.951  37.960  -1.800
  214    HB3  GLN  25           HB3      GLN  25  -6.659  36.815  -2.134
  215    HG2  GLN  25           HG2      GLN  25  -5.572  38.258  -0.753
  216    HG3  GLN  25           HG3      GLN  25  -5.209  38.993  -2.314
  217   HE21  GLN  25          HE21      GLN  25  -4.974  41.060  -1.612
  218   HE22  GLN  25          HE22      GLN  25  -6.263  42.003  -0.954
  219    H    VAL  26           H        VAL  26  -5.532  39.717  -4.838
  220    HA   VAL  26           HA       VAL  26  -6.671  42.162  -3.999
  221    HB   VAL  26           HB       VAL  26  -4.827  41.714  -6.349
  222   HG11  VAL  26          HG11      VAL  26  -5.363  44.163  -4.670
  223   HG12  VAL  26          HG12      VAL  26  -4.154  44.038  -5.950
  224   HG13  VAL  26          HG13      VAL  26  -5.869  43.914  -6.341
  225   HG21  VAL  26          HG21      VAL  26  -3.249  42.627  -4.341
  226   HG22  VAL  26          HG22      VAL  26  -4.382  41.613  -3.447
  227   HG23  VAL  26          HG23      VAL  26  -3.435  40.926  -4.766
  228    HN1  NH2  27           HN1      NH2  27  -6.879  40.326  -7.040
  229    HN2  NH2  27           HN2      NH2  27  -8.191  41.231  -7.718
  Start of MODEL    7
    1    H1   ACE   1           H1       ACE   1  -1.588  15.258 -10.325
    2    H2   ACE   1           H2       ACE   1  -2.884  14.490  -9.376
    3    H3   ACE   1           H3       ACE   1  -2.548  16.227  -9.181
    4    H    LYS   2           H        LYS   2  -2.076  16.219  -7.075
    5    HA   LYS   2           HA       LYS   2   0.463  14.950  -6.334
    6    HB2  LYS   2           HB2      LYS   2  -0.247  17.524  -6.067
    7    HB3  LYS   2           HB3      LYS   2  -0.844  16.914  -4.529
    8    HG2  LYS   2           HG2      LYS   2   1.376  16.061  -3.995
    9    HG3  LYS   2           HG3      LYS   2   1.979  16.650  -5.545
   10    HD2  LYS   2           HD2      LYS   2   2.504  18.530  -4.455
   11    HD3  LYS   2           HD3      LYS   2   0.772  18.874  -4.453
   12    HE2  LYS   2           HE2      LYS   2   2.143  17.281  -2.298
   13    HE3  LYS   2           HE3      LYS   2   1.930  19.029  -2.216
   14    HZ1  LYS   2           HZ1      LYS   2  -0.492  18.634  -2.466
   15    HZ2  LYS   2           HZ2      LYS   2   0.155  18.001  -1.037
   16    HZ3  LYS   2           HZ3      LYS   2  -0.206  16.972  -2.331
   17    H    ARG   3           H        ARG   3  -1.710  13.241  -6.432
   18    HA   ARG   3           HA       ARG   3  -2.642  12.919  -3.683
   19    HB2  ARG   3           HB2      ARG   3  -3.809  12.433  -6.172
   20    HB3  ARG   3           HB3      ARG   3  -3.463  10.835  -5.526
   21    HG2  ARG   3           HG2      ARG   3  -4.987  12.974  -4.055
   22    HG3  ARG   3           HG3      ARG   3  -5.726  11.664  -4.978
   23    HD2  ARG   3           HD2      ARG   3  -4.633  10.027  -3.523
   24    HD3  ARG   3           HD3      ARG   3  -3.894  11.338  -2.604
   25    HE   ARG   3           HE       ARG   3  -6.756  11.502  -2.722
   26   HH11  ARG   3          HH11      ARG   3  -4.915   9.853   0.427
   27   HH12  ARG   3          HH12      ARG   3  -4.046  10.093  -1.053
   28   HH21  ARG   3          HH21      ARG   3  -7.114  10.476   0.580
   29   HH22  ARG   3          HH22      ARG   3  -7.911  11.191  -0.780
   30    H    ILE   4           H        ILE   4   0.160  12.358  -4.806
   31    HA   ILE   4           HA       ILE   4   0.422   9.720  -3.542
   32    HB   ILE   4           HB       ILE   4   1.966  10.501  -6.012
   33   HG12  ILE   4          HG12      ILE   4  -0.438  10.211  -6.524
   34   HG13  ILE   4          HG13      ILE   4   0.553   8.952  -7.253
   35   HG21  ILE   4          HG21      ILE   4   2.468   8.041  -6.025
   36   HG22  ILE   4          HG22      ILE   4   3.179   8.944  -4.688
   37   HG23  ILE   4          HG23      ILE   4   1.743   7.957  -4.419
   38   HD11  ILE   4          HD11      ILE   4  -0.521   7.349  -6.156
   39   HD12  ILE   4          HD12      ILE   4  -0.421   8.215  -4.623
   40   HD13  ILE   4          HD13      ILE   4  -1.720   8.579  -5.758
   41    H    GLY   5           H        GLY   5   1.185  10.756  -1.669
   42    HA2  GLY   5           HA2      GLY   5   3.312  10.953  -0.525
   43    HA3  GLY   5           HA3      GLY   5   3.936  11.784  -1.942
   44    H    VAL   6           H        VAL   6   2.733  12.180   1.141
   45    HA   VAL   6           HA       VAL   6   2.087  15.010   0.626
   46    HB   VAL   6           HB       VAL   6   1.145  13.349   2.965
   47   HG11  VAL   6          HG11      VAL   6   0.716  15.338   3.867
   48   HG12  VAL   6          HG12      VAL   6   1.120  16.180   2.370
   49   HG13  VAL   6          HG13      VAL   6  -0.510  15.551   2.618
   50   HG21  VAL   6          HG21      VAL   6   0.130  12.534   0.916
   51   HG22  VAL   6          HG22      VAL   6  -1.063  13.404   1.881
   52   HG23  VAL   6          HG23      VAL   6  -0.338  14.175   0.471
   53    H    ARG   7           H        ARG   7   4.110  12.790   2.289
   54    HA   ARG   7           HA       ARG   7   5.105  14.832   4.125
   55    HB2  ARG   7           HB2      ARG   7   6.425  13.008   5.113
   56    HB3  ARG   7           HB3      ARG   7   4.713  12.611   5.049
   57    HG2  ARG   7           HG2      ARG   7   5.011  11.055   3.345
   58    HG3  ARG   7           HG3      ARG   7   6.584  11.714   2.892
   59    HD2  ARG   7           HD2      ARG   7   7.670  10.682   4.637
   60    HD3  ARG   7           HD3      ARG   7   6.216  10.598   5.630
   61    HE   ARG   7           HE       ARG   7   7.136   8.642   3.762
   62   HH11  ARG   7          HH11      ARG   7   3.341   8.577   5.035
   63   HH12  ARG   7          HH12      ARG   7   4.297  10.007   5.243
   64   HH21  ARG   7          HH21      ARG   7   4.247   6.727   4.033
   65   HH22  ARG   7          HH22      ARG   7   5.888   6.753   3.482
   66    H    LEU   8           H        LEU   8   5.531  14.770   1.131
   67    HA   LEU   8           HA       LEU   8   8.309  14.227   0.726
   68    HB2  LEU   8           HB2      LEU   8   6.131  15.494  -0.876
   69    HB3  LEU   8           HB3      LEU   8   7.807  15.683  -1.389
   70    HG   LEU   8           HG       LEU   8   6.656  13.862  -2.570
   71   HD11  LEU   8          HD11      LEU   8   8.844  12.934  -0.715
   72   HD12  LEU   8          HD12      LEU   8   9.070  13.764  -2.254
   73   HD13  LEU   8          HD13      LEU   8   8.361  12.150  -2.220
   74   HD21  LEU   8          HD21      LEU   8   5.877  11.916  -1.481
   75   HD22  LEU   8          HD22      LEU   8   5.191  13.277  -0.593
   76   HD23  LEU   8          HD23      LEU   8   6.578  12.406   0.061
   77    HA   PRO   9           HA       PRO   9  10.194  17.997   1.941
   78    HB2  PRO   9           HB2      PRO   9  12.064  18.359   0.006
   79    HB3  PRO   9           HB3      PRO   9  12.196  17.107   1.248
   80    HG2  PRO   9           HG2      PRO   9  11.260  16.874  -1.586
   81    HG3  PRO   9           HG3      PRO   9  12.325  15.794  -0.668
   82    HD2  PRO   9           HD2      PRO   9   9.702  15.258  -1.067
   83    HD3  PRO   9           HD3      PRO   9  10.564  14.762   0.403
   84    H    GLY  10           H        GLY  10  10.813  20.225   1.161
   85    HA2  GLY  10           HA2      GLY  10  10.214  21.500  -1.123
   86    HA3  GLY  10           HA3      GLY  10   8.619  21.279  -0.419
   87    H    HIS  11           H        HIS  11  11.375  23.223  -0.519
   88    HA   HIS  11           HA       HIS  11  10.645  24.603   1.971
   89    HB2  HIS  11           HB2      HIS  11  12.870  25.809   1.547
   90    HB3  HIS  11           HB3      HIS  11  12.948  24.115   2.023
   91    HD1  HIS  11           HD1      HIS  11  13.727  26.428  -0.772
   92    HD2  HIS  11           HD2      HIS  11  13.776  22.341  -0.027
   93    HE1  HIS  11           HE1      HIS  11  15.060  25.418  -2.650
   94    H    GLN  12           H        GLN  12  11.523  25.293  -1.411
   95    HA   GLN  12           HA       GLN  12  10.463  27.983  -1.198
   96    HB2  GLN  12           HB2      GLN  12  12.346  26.662  -2.865
   97    HB3  GLN  12           HB3      GLN  12  11.057  27.263  -3.899
   98    HG2  GLN  12           HG2      GLN  12  11.353  29.496  -2.772
   99    HG3  GLN  12           HG3      GLN  12  12.813  28.834  -2.039
  100   HE21  GLN  12          HE21      GLN  12  14.001  27.454  -3.962
  101   HE22  GLN  12          HE22      GLN  12  14.391  28.455  -5.315
  102    H    LYS  13           H        LYS  13   9.491  24.873  -2.401
  103    HA   LYS  13           HA       LYS  13   7.434  25.712  -4.145
  104    HB2  LYS  13           HB2      LYS  13   8.027  23.158  -2.684
  105    HB3  LYS  13           HB3      LYS  13   6.518  23.342  -3.568
  106    HG2  LYS  13           HG2      LYS  13   8.871  24.117  -5.109
  107    HG3  LYS  13           HG3      LYS  13   8.873  22.425  -4.606
  108    HD2  LYS  13           HD2      LYS  13   6.305  23.399  -5.649
  109    HD3  LYS  13           HD3      LYS  13   7.622  23.381  -6.825
  110    HE2  LYS  13           HE2      LYS  13   7.982  20.968  -5.707
  111    HE3  LYS  13           HE3      LYS  13   6.244  21.142  -5.472
  112    HZ1  LYS  13           HZ1      LYS  13   7.302  21.783  -8.114
  113    HZ2  LYS  13           HZ2      LYS  13   5.841  21.049  -7.684
  114    HZ3  LYS  13           HZ3      LYS  13   7.274  20.149  -7.677
  115    H    ARG  14           H        ARG  14   7.473  24.937  -0.695
  116    HA   ARG  14           HA       ARG  14   4.722  25.034  -0.220
  117    HB2  ARG  14           HB2      ARG  14   5.268  25.302   2.101
  118    HB3  ARG  14           HB3      ARG  14   6.456  24.222   1.385
  119    HG2  ARG  14           HG2      ARG  14   8.015  25.509   2.293
  120    HG3  ARG  14           HG3      ARG  14   7.575  26.742   1.109
  121    HD2  ARG  14           HD2      ARG  14   6.262  27.905   2.614
  122    HD3  ARG  14           HD3      ARG  14   6.014  26.495   3.643
  123    HE   ARG  14           HE       ARG  14   8.130  28.400   3.825
  124   HH11  ARG  14          HH11      ARG  14   8.517  24.818   5.570
  125   HH12  ARG  14          HH12      ARG  14   7.311  25.057   4.349
  126   HH21  ARG  14          HH21      ARG  14   9.887  26.548   6.185
  127   HH22  ARG  14          HH22      ARG  14   9.722  28.097   5.430
  128    H    ILE  15           H        ILE  15   6.967  27.546  -0.899
  129    HA   ILE  15           HA       ILE  15   5.306  29.650   0.205
  130    HB   ILE  15           HB       ILE  15   7.810  29.828  -1.474
  131   HG12  ILE  15          HG12      ILE  15   7.501  30.344   1.485
  132   HG13  ILE  15          HG13      ILE  15   7.988  28.782   0.836
  133   HG21  ILE  15          HG21      ILE  15   6.560  31.839  -1.751
  134   HG22  ILE  15          HG22      ILE  15   6.223  31.935  -0.023
  135   HG23  ILE  15          HG23      ILE  15   7.866  32.179  -0.615
  136   HD11  ILE  15          HD11      ILE  15   9.510  31.268   1.121
  137   HD12  ILE  15          HD12      ILE  15  10.053  29.590   1.121
  138   HD13  ILE  15          HD13      ILE  15   9.744  30.417  -0.405
  139    H    ALA  16           H        ALA  16   6.297  28.489  -2.997
  140    HA   ALA  16           HA       ALA  16   4.854  30.424  -4.475
  141    HB1  ALA  16           HB1      ALA  16   5.497  27.680  -5.501
  142    HB2  ALA  16           HB2      ALA  16   5.426  29.205  -6.384
  143    HB3  ALA  16           HB3      ALA  16   6.753  28.896  -5.263
  144    H    TYR  17           H        TYR  17   3.911  27.545  -2.843
  145    HA   TYR  17           HA       TYR  17   1.389  27.367  -4.308
  146    HB2  TYR  17           HB2      TYR  17   2.679  25.298  -3.767
  147    HB3  TYR  17           HB3      TYR  17   2.402  25.618  -2.058
  148    HD1  TYR  17           HD1      TYR  17   0.915  24.458  -5.181
  149    HD2  TYR  17           HD2      TYR  17   0.162  25.377  -1.095
  150    HE1  TYR  17           HE1      TYR  17  -1.222  23.246  -5.308
  151    HE2  TYR  17           HE2      TYR  17  -1.976  24.167  -1.211
  152    HH   TYR  17           HH       TYR  17  -3.274  22.837  -2.449
  153    H    SER  18           H        SER  18   2.695  28.464  -1.293
  154    HA   SER  18           HA       SER  18   0.167  28.591   0.075
  155    HB2  SER  18           HB2      SER  18   2.966  29.467   0.693
  156    HB3  SER  18           HB3      SER  18   1.628  30.099   1.652
  157    HG   SER  18           HG       SER  18   2.101  27.337   1.207
  158    H    LEU  19           H        LEU  19   2.019  30.654  -1.996
  159    HA   LEU  19           HA       LEU  19   0.539  33.043  -1.274
  160    HB2  LEU  19           HB2      LEU  19   2.970  32.424  -2.695
  161    HB3  LEU  19           HB3      LEU  19   1.956  33.515  -3.638
  162    HG   LEU  19           HG       LEU  19   3.612  34.711  -2.277
  163   HD11  LEU  19          HD11      LEU  19   0.698  35.076  -1.664
  164   HD12  LEU  19          HD12      LEU  19   1.716  35.985  -2.781
  165   HD13  LEU  19          HD13      LEU  19   1.928  36.176  -1.040
  166   HD21  LEU  19          HD21      LEU  19   3.728  33.098  -0.424
  167   HD22  LEU  19          HD22      LEU  19   2.111  33.586   0.086
  168   HD23  LEU  19          HD23      LEU  19   3.441  34.744   0.140
  169    H    LEU  20           H        LEU  20   0.860  30.900  -4.089
  170    HA   LEU  20           HA       LEU  20  -1.078  32.256  -5.662
  171    HB2  LEU  20           HB2      LEU  20   0.506  29.796  -5.839
  172    HB3  LEU  20           HB3      LEU  20  -1.058  29.712  -6.647
  173    HG   LEU  20           HG       LEU  20   0.662  30.334  -8.225
  174   HD11  LEU  20          HD11      LEU  20  -1.719  31.533  -7.994
  175   HD12  LEU  20          HD12      LEU  20  -0.574  31.901  -9.284
  176   HD13  LEU  20          HD13      LEU  20  -0.670  32.945  -7.866
  177   HD21  LEU  20          HD21      LEU  20   2.156  31.364  -6.468
  178   HD22  LEU  20          HD22      LEU  20   1.159  32.813  -6.594
  179   HD23  LEU  20          HD23      LEU  20   2.054  32.233  -8.000
  180    H    GLY  21           H        GLY  21  -1.281  29.960  -3.104
  181    HA2  GLY  21           HA2      GLY  21  -3.857  28.902  -3.775
  182    HA3  GLY  21           HA3      GLY  21  -3.036  28.745  -2.229
  183    H    LEU  22           H        LEU  22  -2.715  31.560  -1.762
  184    HA   LEU  22           HA       LEU  22  -5.445  32.149  -0.914
  185    HB2  LEU  22           HB2      LEU  22  -3.091  32.304   0.413
  186    HB3  LEU  22           HB3      LEU  22  -3.261  33.967  -0.146
  187    HG   LEU  22           HG       LEU  22  -5.742  33.332   0.952
  188   HD11  LEU  22          HD11      LEU  22  -5.255  32.498   3.164
  189   HD12  LEU  22          HD12      LEU  22  -3.540  32.374   2.774
  190   HD13  LEU  22          HD13      LEU  22  -4.707  31.333   1.958
  191   HD21  LEU  22          HD21      LEU  22  -3.382  34.973   1.744
  192   HD22  LEU  22          HD22      LEU  22  -4.727  34.798   2.872
  193   HD23  LEU  22          HD23      LEU  22  -5.003  35.483   1.269
  194    H    LYS  23           H        LYS  23  -2.960  33.315  -3.051
  195    HA   LYS  23           HA       LYS  23  -4.211  35.861  -3.534
  196    HB2  LYS  23           HB2      LYS  23  -1.956  34.391  -4.899
  197    HB3  LYS  23           HB3      LYS  23  -2.527  35.970  -5.423
  198    HG2  LYS  23           HG2      LYS  23  -1.718  35.570  -2.581
  199    HG3  LYS  23           HG3      LYS  23  -0.483  35.774  -3.825
  200    HD2  LYS  23           HD2      LYS  23  -0.877  37.967  -3.983
  201    HD3  LYS  23           HD3      LYS  23  -2.623  37.721  -4.073
  202    HE2  LYS  23           HE2      LYS  23  -2.454  37.280  -1.533
  203    HE3  LYS  23           HE3      LYS  23  -0.882  38.068  -1.657
  204    HZ1  LYS  23           HZ1      LYS  23  -1.921  40.040  -2.483
  205    HZ2  LYS  23           HZ2      LYS  23  -2.712  39.591  -1.057
  206    HZ3  LYS  23           HZ3      LYS  23  -3.435  39.288  -2.557
  207    H    ASP  24           H        ASP  24  -4.689  32.685  -4.625
  208    HA   ASP  24           HA       ASP  24  -5.585  33.209  -7.267
  209    HB2  ASP  24           HB2      ASP  24  -5.000  30.972  -6.833
  210    HB3  ASP  24           HB3      ASP  24  -5.959  30.915  -5.357
  211    H    GLN  25           H        GLN  25  -7.136  33.222  -4.124
  212    HA   GLN  25           HA       GLN  25  -9.687  33.931  -5.410
  213    HB2  GLN  25           HB2      GLN  25 -10.635  33.403  -3.093
  214    HB3  GLN  25           HB3      GLN  25 -10.074  32.046  -4.061
  215    HG2  GLN  25           HG2      GLN  25  -8.462  31.513  -2.608
  216    HG3  GLN  25           HG3      GLN  25  -8.033  33.197  -2.312
  217   HE21  GLN  25          HE21      GLN  25  -7.919  33.056  -0.118
  218   HE22  GLN  25          HE22      GLN  25  -9.289  32.763   0.893
  219    H    VAL  26           H        VAL  26  -7.081  35.185  -3.684
  220    HA   VAL  26           HA       VAL  26  -8.607  37.632  -3.105
  221    HB   VAL  26           HB       VAL  26  -6.438  36.559  -1.300
  222   HG11  VAL  26          HG11      VAL  26  -7.161  38.298   0.227
  223   HG12  VAL  26          HG12      VAL  26  -6.718  39.005  -1.328
  224   HG13  VAL  26          HG13      VAL  26  -8.418  38.800  -0.904
  225   HG21  VAL  26          HG21      VAL  26  -8.148  35.051  -0.907
  226   HG22  VAL  26          HG22      VAL  26  -8.483  36.308   0.283
  227   HG23  VAL  26          HG23      VAL  26  -9.411  36.243  -1.215
  228    HN1  NH2  27           HN1      NH2  27  -7.773  38.439  -5.109
  229    HN2  NH2  27           HN2      NH2  27  -6.132  38.979  -5.234
  Start of MODEL    8
    1    H1   ACE   1           H1       ACE   1  -2.936   3.334  -5.823
    2    H2   ACE   1           H2       ACE   1  -3.022   3.245  -4.047
    3    H3   ACE   1           H3       ACE   1  -4.352   3.989  -4.967
    4    H    LYS   2           H        LYS   2  -2.649   5.034  -2.829
    5    HA   LYS   2           HA       LYS   2  -1.440   7.305  -4.267
    6    HB2  LYS   2           HB2      LYS   2  -3.693   7.599  -2.924
    7    HB3  LYS   2           HB3      LYS   2  -2.611   7.657  -1.539
    8    HG2  LYS   2           HG2      LYS   2  -1.973   9.736  -2.000
    9    HG3  LYS   2           HG3      LYS   2  -1.719   9.367  -3.707
   10    HD2  LYS   2           HD2      LYS   2  -4.294   9.418  -3.869
   11    HD3  LYS   2           HD3      LYS   2  -4.223  10.261  -2.320
   12    HE2  LYS   2           HE2      LYS   2  -3.273  12.129  -3.226
   13    HE3  LYS   2           HE3      LYS   2  -2.460  11.228  -4.504
   14    HZ1  LYS   2           HZ1      LYS   2  -5.389  11.688  -4.424
   15    HZ2  LYS   2           HZ2      LYS   2  -4.491  11.041  -5.702
   16    HZ3  LYS   2           HZ3      LYS   2  -4.308  12.669  -5.279
   17    H    ARG   3           H        ARG   3   0.255   5.359  -3.794
   18    HA   ARG   3           HA       ARG   3   1.583   5.948  -1.239
   19    HB2  ARG   3           HB2      ARG   3   0.996   3.523  -2.400
   20    HB3  ARG   3           HB3      ARG   3   2.680   3.759  -2.847
   21    HG2  ARG   3           HG2      ARG   3   1.624   3.921  -0.033
   22    HG3  ARG   3           HG3      ARG   3   2.375   2.492  -0.747
   23    HD2  ARG   3           HD2      ARG   3   4.429   3.776  -1.130
   24    HD3  ARG   3           HD3      ARG   3   3.674   5.192  -0.399
   25    HE   ARG   3           HE       ARG   3   3.575   3.020   1.396
   26   HH11  ARG   3          HH11      ARG   3   6.901   5.248   1.347
   27   HH12  ARG   3          HH12      ARG   3   5.817   5.286  -0.004
   28   HH21  ARG   3          HH21      ARG   3   6.433   3.924   3.157
   29   HH22  ARG   3          HH22      ARG   3   4.994   2.961   3.181
   30    H    ILE   4           H        ILE   4   1.624   7.420  -3.938
   31    HA   ILE   4           HA       ILE   4   4.401   7.203  -4.731
   32    HB   ILE   4           HB       ILE   4   2.771   7.618  -6.470
   33   HG12  ILE   4          HG12      ILE   4   3.786   9.599  -7.518
   34   HG13  ILE   4          HG13      ILE   4   4.467  10.074  -5.966
   35   HG21  ILE   4          HG21      ILE   4   0.985   8.870  -6.061
   36   HG22  ILE   4          HG22      ILE   4   1.698   9.452  -4.558
   37   HG23  ILE   4          HG23      ILE   4   2.017  10.300  -6.071
   38   HD11  ILE   4          HD11      ILE   4   5.118   7.396  -7.094
   39   HD12  ILE   4          HD12      ILE   4   5.929   8.834  -7.716
   40   HD13  ILE   4          HD13      ILE   4   6.056   8.419  -6.006
   41    H    GLY   5           H        GLY   5   2.466   9.145  -2.624
   42    HA2  GLY   5           HA2      GLY   5   3.593  10.372  -0.867
   43    HA3  GLY   5           HA3      GLY   5   4.849  10.777  -2.027
   44    H    VAL   6           H        VAL   6   2.245  11.967  -0.400
   45    HA   VAL   6           HA       VAL   6   1.662  13.970  -2.481
   46    HB   VAL   6           HB       VAL   6  -0.291  12.653  -1.677
   47   HG11  VAL   6          HG11      VAL   6  -0.287  14.143   0.889
   48   HG12  VAL   6          HG12      VAL   6  -0.967  12.562   0.495
   49   HG13  VAL   6          HG13      VAL   6   0.769  12.737   0.756
   50   HG21  VAL   6          HG21      VAL   6  -0.464  15.557  -0.890
   51   HG22  VAL   6          HG22      VAL   6  -0.461  14.988  -2.560
   52   HG23  VAL   6          HG23      VAL   6  -1.768  14.522  -1.472
   53    H    ARG   7           H        ARG   7   2.969  13.450   0.657
   54    HA   ARG   7           HA       ARG   7   2.918  16.309   1.286
   55    HB2  ARG   7           HB2      ARG   7   3.751  15.622   3.505
   56    HB3  ARG   7           HB3      ARG   7   2.241  14.824   3.085
   57    HG2  ARG   7           HG2      ARG   7   3.273  12.767   2.760
   58    HG3  ARG   7           HG3      ARG   7   4.872  13.491   2.584
   59    HD2  ARG   7           HD2      ARG   7   4.535  12.318   4.748
   60    HD3  ARG   7           HD3      ARG   7   4.955  14.022   4.920
   61    HE   ARG   7           HE       ARG   7   2.132  13.602   4.925
   62   HH11  ARG   7          HH11      ARG   7   4.146  13.687   8.384
   63   HH12  ARG   7          HH12      ARG   7   4.999  13.449   6.895
   64   HH21  ARG   7          HH21      ARG   7   1.870  13.951   8.374
   65   HH22  ARG   7          HH22      ARG   7   0.998  13.915   6.879
   66    H    LEU   8           H        LEU   8   4.494  15.771  -0.867
   67    HA   LEU   8           HA       LEU   8   7.209  15.249  -0.180
   68    HB2  LEU   8           HB2      LEU   8   6.399  16.795  -2.607
   69    HB3  LEU   8           HB3      LEU   8   7.712  15.636  -2.411
   70    HG   LEU   8           HG       LEU   8   5.431  14.120  -2.007
   71   HD11  LEU   8          HD11      LEU   8   4.956  16.204  -4.118
   72   HD12  LEU   8          HD12      LEU   8   3.904  15.732  -2.783
   73   HD13  LEU   8          HD13      LEU   8   4.156  14.632  -4.139
   74   HD21  LEU   8          HD21      LEU   8   7.158  13.148  -3.187
   75   HD22  LEU   8          HD22      LEU   8   7.342  14.530  -4.266
   76   HD23  LEU   8          HD23      LEU   8   5.973  13.436  -4.461
   77    HA   PRO   9           HA       PRO   9   8.599  19.167   1.233
   78    HB2  PRO   9           HB2      PRO   9  11.144  19.191   0.286
   79    HB3  PRO   9           HB3      PRO   9  10.629  18.167   1.632
   80    HG2  PRO   9           HG2      PRO   9  10.996  17.459  -1.253
   81    HG3  PRO   9           HG3      PRO   9  11.473  16.549   0.191
   82    HD2  PRO   9           HD2      PRO   9   9.248  15.958  -1.234
   83    HD3  PRO   9           HD3      PRO   9   9.349  15.716   0.522
   84    H    GLY  10           H        GLY  10  10.163  21.047   0.266
   85    HA2  GLY  10           HA2      GLY  10  10.533  21.948  -2.143
   86    HA3  GLY  10           HA3      GLY  10   8.776  21.904  -2.179
   87    H    HIS  11           H        HIS  11  11.433  23.806  -1.556
   88    HA   HIS  11           HA       HIS  11  10.099  25.524   0.385
   89    HB2  HIS  11           HB2      HIS  11  12.812  24.962  -0.280
   90    HB3  HIS  11           HB3      HIS  11  12.530  26.677  -0.562
   91    HD1  HIS  11           HD1      HIS  11  13.801  24.671   1.956
   92    HD2  HIS  11           HD2      HIS  11  10.901  27.646   1.936
   93    HE1  HIS  11           HE1      HIS  11  13.644  25.473   4.334
   94    H    GLN  12           H        GLN  12  10.658  25.299  -3.002
   95    HA   GLN  12           HA       GLN  12  10.121  28.108  -3.496
   96    HB2  GLN  12           HB2      GLN  12  10.906  25.762  -5.158
   97    HB3  GLN  12           HB3      GLN  12  10.081  27.096  -5.953
   98    HG2  GLN  12           HG2      GLN  12  12.160  27.883  -6.221
   99    HG3  GLN  12           HG3      GLN  12  11.945  28.452  -4.567
  100   HE21  GLN  12          HE21      GLN  12  14.447  28.067  -5.549
  101   HE22  GLN  12          HE22      GLN  12  15.179  26.698  -4.791
  102    H    LYS  13           H        LYS  13   8.426  25.085  -3.435
  103    HA   LYS  13           HA       LYS  13   6.163  25.973  -4.955
  104    HB2  LYS  13           HB2      LYS  13   5.106  23.887  -4.163
  105    HB3  LYS  13           HB3      LYS  13   6.697  23.607  -4.857
  106    HG2  LYS  13           HG2      LYS  13   6.974  22.352  -3.015
  107    HG3  LYS  13           HG3      LYS  13   7.370  23.904  -2.273
  108    HD2  LYS  13           HD2      LYS  13   5.819  23.033  -0.792
  109    HD3  LYS  13           HD3      LYS  13   4.812  24.046  -1.829
  110    HE2  LYS  13           HE2      LYS  13   5.115  21.352  -2.870
  111    HE3  LYS  13           HE3      LYS  13   4.416  21.368  -1.252
  112    HZ1  LYS  13           HZ1      LYS  13   3.078  21.805  -3.589
  113    HZ2  LYS  13           HZ2      LYS  13   3.264  23.358  -2.947
  114    HZ3  LYS  13           HZ3      LYS  13   2.506  22.153  -2.035
  115    H    ARG  14           H        ARG  14   6.963  25.708  -1.527
  116    HA   ARG  14           HA       ARG  14   4.440  26.283  -0.465
  117    HB2  ARG  14           HB2      ARG  14   6.255  25.445   0.919
  118    HB3  ARG  14           HB3      ARG  14   7.184  26.911   0.636
  119    HG2  ARG  14           HG2      ARG  14   4.564  27.496   1.715
  120    HG3  ARG  14           HG3      ARG  14   5.484  26.409   2.758
  121    HD2  ARG  14           HD2      ARG  14   6.903  28.026   3.366
  122    HD3  ARG  14           HD3      ARG  14   7.082  28.606   1.711
  123    HE   ARG  14           HE       ARG  14   5.611  30.268   2.211
  124   HH11  ARG  14          HH11      ARG  14   3.920  28.496   5.378
  125   HH12  ARG  14          HH12      ARG  14   5.108  27.646   4.446
  126   HH21  ARG  14          HH21      ARG  14   3.317  30.629   4.799
  127   HH22  ARG  14          HH22      ARG  14   4.048  31.397   3.430
  128    H    ILE  15           H        ILE  15   6.701  28.295  -2.084
  129    HA   ILE  15           HA       ILE  15   5.637  30.769  -1.012
  130    HB   ILE  15           HB       ILE  15   7.605  30.312  -3.258
  131   HG12  ILE  15          HG12      ILE  15   8.129  31.249  -0.433
  132   HG13  ILE  15          HG13      ILE  15   8.312  29.577  -0.951
  133   HG21  ILE  15          HG21      ILE  15   7.161  32.441  -3.763
  134   HG22  ILE  15          HG22      ILE  15   6.255  32.694  -2.272
  135   HG23  ILE  15          HG23      ILE  15   8.012  32.845  -2.272
  136   HD11  ILE  15          HD11      ILE  15  10.385  30.041  -1.546
  137   HD12  ILE  15          HD12      ILE  15   9.761  31.139  -2.778
  138   HD13  ILE  15          HD13      ILE  15  10.148  31.747  -1.169
  139    H    ALA  16           H        ALA  16   5.637  29.051  -4.121
  140    HA   ALA  16           HA       ALA  16   4.057  30.943  -5.505
  141    HB1  ALA  16           HB1      ALA  16   3.562  28.630  -6.833
  142    HB2  ALA  16           HB2      ALA  16   4.996  29.631  -7.067
  143    HB3  ALA  16           HB3      ALA  16   5.063  28.230  -5.998
  144    H    TYR  17           H        TYR  17   3.284  28.466  -3.239
  145    HA   TYR  17           HA       TYR  17   0.465  28.439  -3.997
  146    HB2  TYR  17           HB2      TYR  17   2.113  26.475  -3.022
  147    HB3  TYR  17           HB3      TYR  17   1.248  26.976  -1.573
  148    HD1  TYR  17           HD1      TYR  17  -0.929  26.216  -1.170
  149    HD2  TYR  17           HD2      TYR  17   0.728  25.819  -5.068
  150    HE1  TYR  17           HE1      TYR  17  -2.860  24.849  -1.844
  151    HE2  TYR  17           HE2      TYR  17  -1.198  24.452  -5.754
  152    HH   TYR  17           HH       TYR  17  -3.098  23.500  -5.123
  153    H    SER  18           H        SER  18   2.602  29.813  -1.651
  154    HA   SER  18           HA       SER  18   0.505  30.511   0.210
  155    HB2  SER  18           HB2      SER  18   2.722  30.046   1.091
  156    HB3  SER  18           HB3      SER  18   3.422  31.312   0.083
  157    HG   SER  18           HG       SER  18   2.205  32.832   1.261
  158    H    LEU  19           H        LEU  19   2.035  31.905  -2.549
  159    HA   LEU  19           HA       LEU  19   1.137  34.598  -1.942
  160    HB2  LEU  19           HB2      LEU  19   2.931  33.332  -3.878
  161    HB3  LEU  19           HB3      LEU  19   1.971  34.651  -4.544
  162    HG   LEU  19           HG       LEU  19   4.200  35.370  -3.780
  163   HD11  LEU  19          HD11      LEU  19   2.282  36.643  -1.896
  164   HD12  LEU  19          HD12      LEU  19   1.959  36.736  -3.627
  165   HD13  LEU  19          HD13      LEU  19   3.467  37.380  -2.976
  166   HD21  LEU  19          HD21      LEU  19   4.887  35.278  -1.549
  167   HD22  LEU  19          HD22      LEU  19   4.191  33.685  -1.849
  168   HD23  LEU  19          HD23      LEU  19   3.265  34.902  -0.967
  169    H    LEU  20           H        LEU  20   0.379  31.995  -4.216
  170    HA   LEU  20           HA       LEU  20  -1.719  33.495  -5.492
  171    HB2  LEU  20           HB2      LEU  20  -0.205  31.287  -6.158
  172    HB3  LEU  20           HB3      LEU  20  -1.800  30.606  -5.846
  173    HG   LEU  20           HG       LEU  20  -2.507  32.618  -7.463
  174   HD11  LEU  20          HD11      LEU  20   0.369  32.059  -8.024
  175   HD12  LEU  20          HD12      LEU  20  -0.504  33.591  -8.039
  176   HD13  LEU  20          HD13      LEU  20  -0.725  32.438  -9.355
  177   HD21  LEU  20          HD21      LEU  20  -3.091  30.283  -7.772
  178   HD22  LEU  20          HD22      LEU  20  -1.458  29.928  -8.336
  179   HD23  LEU  20          HD23      LEU  20  -2.512  30.974  -9.288
  180    H    GLY  21           H        GLY  21  -1.504  32.086  -2.536
  181    HA2  GLY  21           HA2      GLY  21  -4.315  31.203  -2.516
  182    HA3  GLY  21           HA3      GLY  21  -3.104  30.754  -1.324
  183    H    LEU  22           H        LEU  22  -2.234  33.708  -1.439
  184    HA   LEU  22           HA       LEU  22  -4.342  34.697   0.366
  185    HB2  LEU  22           HB2      LEU  22  -1.701  34.209   0.955
  186    HB3  LEU  22           HB3      LEU  22  -1.718  35.942   0.635
  187    HG   LEU  22           HG       LEU  22  -1.965  35.574   2.993
  188   HD11  LEU  22          HD11      LEU  22  -4.734  36.243   2.070
  189   HD12  LEU  22          HD12      LEU  22  -3.376  37.315   1.728
  190   HD13  LEU  22          HD13      LEU  22  -3.803  36.937   3.397
  191   HD21  LEU  22          HD21      LEU  22  -3.553  33.355   2.148
  192   HD22  LEU  22          HD22      LEU  22  -4.506  34.373   3.228
  193   HD23  LEU  22          HD23      LEU  22  -2.948  33.739   3.759
  194    H    LYS  23           H        LYS  23  -2.363  35.348  -2.389
  195    HA   LYS  23           HA       LYS  23  -3.270  38.136  -2.490
  196    HB2  LYS  23           HB2      LYS  23  -0.816  37.022  -3.040
  197    HB3  LYS  23           HB3      LYS  23  -1.515  37.200  -4.644
  198    HG2  LYS  23           HG2      LYS  23  -0.241  39.157  -4.145
  199    HG3  LYS  23           HG3      LYS  23  -1.953  39.588  -4.132
  200    HD2  LYS  23           HD2      LYS  23  -1.210  40.632  -2.217
  201    HD3  LYS  23           HD3      LYS  23  -1.758  39.082  -1.573
  202    HE2  LYS  23           HE2      LYS  23   0.295  38.552  -0.889
  203    HE3  LYS  23           HE3      LYS  23   0.992  38.950  -2.459
  204    HZ1  LYS  23           HZ1      LYS  23   2.001  40.437  -1.025
  205    HZ2  LYS  23           HZ2      LYS  23   0.597  40.699  -0.118
  206    HZ3  LYS  23           HZ3      LYS  23   0.738  41.362  -1.668
  207    H    ASP  24           H        ASP  24  -4.375  35.223  -3.431
  208    HA   ASP  24           HA       ASP  24  -5.606  36.309  -5.879
  209    HB2  ASP  24           HB2      ASP  24  -4.005  34.118  -5.795
  210    HB3  ASP  24           HB3      ASP  24  -5.580  33.375  -5.533
  211    H    GLN  25           H        GLN  25  -6.068  34.572  -2.881
  212    HA   GLN  25           HA       GLN  25  -8.945  34.365  -3.372
  213    HB2  GLN  25           HB2      GLN  25  -7.045  33.080  -1.460
  214    HB3  GLN  25           HB3      GLN  25  -8.739  33.205  -1.008
  215    HG2  GLN  25           HG2      GLN  25  -7.824  31.986  -3.595
  216    HG3  GLN  25           HG3      GLN  25  -8.037  31.058  -2.111
  217   HE21  GLN  25          HE21      GLN  25  -9.530  32.313  -4.855
  218   HE22  GLN  25          HE22      GLN  25 -11.168  31.962  -4.434
  219    H    VAL  26           H        VAL  26  -7.471  36.902  -2.800
  220    HA   VAL  26           HA       VAL  26  -7.938  37.805  -0.197
  221    HB   VAL  26           HB       VAL  26  -8.012  40.110  -1.262
  222   HG11  VAL  26          HG11      VAL  26  -5.949  38.653  -0.531
  223   HG12  VAL  26          HG12      VAL  26  -5.607  38.666  -2.262
  224   HG13  VAL  26          HG13      VAL  26  -5.724  40.185  -1.374
  225   HG21  VAL  26          HG21      VAL  26  -8.686  38.736  -3.527
  226   HG22  VAL  26          HG22      VAL  26  -8.092  40.396  -3.484
  227   HG23  VAL  26          HG23      VAL  26  -6.974  39.067  -3.790
  228    HN1  NH2  27           HN1      NH2  27  -9.548  39.376   0.553
  229    HN2  NH2  27           HN2      NH2  27 -11.185  39.236   0.004
  Start of MODEL    9
    1    H1   ACE   1           H1       ACE   1   1.792   5.305  -7.974
    2    H2   ACE   1           H2       ACE   1   2.793   6.182  -9.158
    3    H3   ACE   1           H3       ACE   1   3.514   4.895  -8.161
    4    H    LYS   2           H        LYS   2   2.213   8.125  -8.203
    5    HA   LYS   2           HA       LYS   2   2.511   9.931  -6.853
    6    HB2  LYS   2           HB2      LYS   2   2.986   7.983  -4.599
    7    HB3  LYS   2           HB3      LYS   2   2.395   9.636  -4.486
    8    HG2  LYS   2           HG2      LYS   2   0.383   8.855  -5.815
    9    HG3  LYS   2           HG3      LYS   2   0.952   7.212  -5.511
   10    HD2  LYS   2           HD2      LYS   2  -0.025   7.254  -3.516
   11    HD3  LYS   2           HD3      LYS   2   1.007   8.606  -3.045
   12    HE2  LYS   2           HE2      LYS   2  -0.608  10.168  -4.022
   13    HE3  LYS   2           HE3      LYS   2  -1.638   8.814  -4.483
   14    HZ1  LYS   2           HZ1      LYS   2  -1.629  10.189  -2.075
   15    HZ2  LYS   2           HZ2      LYS   2  -1.019   8.649  -1.737
   16    HZ3  LYS   2           HZ3      LYS   2  -2.532   8.815  -2.473
   17    H    ARG   3           H        ARG   3   4.618   9.677  -8.282
   18    HA   ARG   3           HA       ARG   3   6.988   9.383  -6.597
   19    HB2  ARG   3           HB2      ARG   3   6.594   8.502  -9.083
   20    HB3  ARG   3           HB3      ARG   3   7.193  10.108  -9.477
   21    HG2  ARG   3           HG2      ARG   3   8.772   8.613  -7.494
   22    HG3  ARG   3           HG3      ARG   3   8.767   7.957  -9.133
   23    HD2  ARG   3           HD2      ARG   3   9.222  10.451  -9.798
   24    HD3  ARG   3           HD3      ARG   3   9.788  10.576  -8.133
   25    HE   ARG   3           HE       ARG   3  11.634   9.340  -8.700
   26   HH11  ARG   3          HH11      ARG   3  10.316   8.269 -12.325
   27   HH12  ARG   3          HH12      ARG   3   9.252   9.082 -11.226
   28   HH21  ARG   3          HH21      ARG   3  12.473   7.807 -11.705
   29   HH22  ARG   3          HH22      ARG   3  13.044   8.270 -10.138
   30    H    ILE   4           H        ILE   4   4.959  11.708  -6.714
   31    HA   ILE   4           HA       ILE   4   6.946  13.853  -7.088
   32    HB   ILE   4           HB       ILE   4   5.079  14.018  -8.676
   33   HG12  ILE   4          HG12      ILE   4   4.316  16.298  -7.075
   34   HG13  ILE   4          HG13      ILE   4   6.051  16.024  -6.962
   35   HG21  ILE   4          HG21      ILE   4   2.818  14.442  -7.927
   36   HG22  ILE   4          HG22      ILE   4   3.387  12.907  -7.274
   37   HG23  ILE   4          HG23      ILE   4   3.328  14.336  -6.243
   38   HD11  ILE   4          HD11      ILE   4   6.401  16.471  -9.175
   39   HD12  ILE   4          HD12      ILE   4   4.766  16.002  -9.643
   40   HD13  ILE   4          HD13      ILE   4   5.044  17.543  -8.832
   41    H    GLY   5           H        GLY   5   4.666  12.360  -4.956
   42    HA2  GLY   5           HA2      GLY   5   4.646  12.557  -2.627
   43    HA3  GLY   5           HA3      GLY   5   5.657  13.988  -2.762
   44    H    VAL   6           H        VAL   6   2.653  12.920  -1.934
   45    HA   VAL   6           HA       VAL   6   1.413  15.526  -2.535
   46    HB   VAL   6           HB       VAL   6  -0.029  12.935  -1.964
   47   HG11  VAL   6          HG11      VAL   6  -1.826  14.462  -3.216
   48   HG12  VAL   6          HG12      VAL   6  -1.615  14.480  -1.464
   49   HG13  VAL   6          HG13      VAL   6  -0.867  15.731  -2.457
   50   HG21  VAL   6          HG21      VAL   6   1.009  12.589  -4.044
   51   HG22  VAL   6          HG22      VAL   6  -0.626  13.122  -4.436
   52   HG23  VAL   6          HG23      VAL   6   0.724  14.251  -4.559
   53    H    ARG   7           H        ARG   7   2.375  13.314  -0.085
   54    HA   ARG   7           HA       ARG   7   0.800  14.671   1.968
   55    HB2  ARG   7           HB2      ARG   7   1.596  12.922   3.474
   56    HB3  ARG   7           HB3      ARG   7   0.891  12.220   2.024
   57    HG2  ARG   7           HG2      ARG   7   3.300  12.114   1.146
   58    HG3  ARG   7           HG3      ARG   7   3.770  12.374   2.827
   59    HD2  ARG   7           HD2      ARG   7   1.958  10.407   3.139
   60    HD3  ARG   7           HD3      ARG   7   2.562  10.014   1.530
   61    HE   ARG   7           HE       ARG   7   4.527   9.334   2.479
   62   HH11  ARG   7          HH11      ARG   7   3.871  10.961   6.078
   63   HH12  ARG   7          HH12      ARG   7   2.777  11.282   4.773
   64   HH21  ARG   7          HH21      ARG   7   5.691   9.610   5.743
   65   HH22  ARG   7          HH22      ARG   7   5.975   8.905   4.188
   66    H    LEU   8           H        LEU   8   2.646  16.337   0.810
   67    HA   LEU   8           HA       LEU   8   5.159  16.401   2.089
   68    HB2  LEU   8           HB2      LEU   8   3.503  18.384   0.594
   69    HB3  LEU   8           HB3      LEU   8   4.937  18.931   1.460
   70    HG   LEU   8           HG       LEU   8   5.379  18.547  -0.920
   71   HD11  LEU   8          HD11      LEU   8   6.749  16.570   0.896
   72   HD12  LEU   8          HD12      LEU   8   7.181  18.268   0.697
   73   HD13  LEU   8          HD13      LEU   8   7.360  17.149  -0.654
   74   HD21  LEU   8          HD21      LEU   8   5.049  15.608  -0.494
   75   HD22  LEU   8          HD22      LEU   8   5.080  16.528  -1.999
   76   HD23  LEU   8          HD23      LEU   8   3.661  16.595  -0.953
   77    HA   PRO   9           HA       PRO   9   4.383  18.101   6.059
   78    HB2  PRO   9           HB2      PRO   9   6.464  19.816   6.371
   79    HB3  PRO   9           HB3      PRO   9   6.652  18.059   6.414
   80    HG2  PRO   9           HG2      PRO   9   7.172  19.965   4.165
   81    HG3  PRO   9           HG3      PRO   9   8.143  18.584   4.708
   82    HD2  PRO   9           HD2      PRO   9   6.495  18.452   2.564
   83    HD3  PRO   9           HD3      PRO   9   6.811  17.055   3.613
   84    H    GLY  10           H        GLY  10   4.543  20.400   7.238
   85    HA2  GLY  10           HA2      GLY  10   2.660  22.077   5.808
   86    HA3  GLY  10           HA3      GLY  10   3.177  22.272   7.476
   87    H    HIS  11           H        HIS  11   6.033  21.994   6.233
   88    HA   HIS  11           HA       HIS  11   6.497  24.820   6.103
   89    HB2  HIS  11           HB2      HIS  11   8.034  22.772   6.908
   90    HB3  HIS  11           HB3      HIS  11   8.622  22.926   5.255
   91    HD1  HIS  11           HD1      HIS  11   8.739  25.918   4.889
   92    HD2  HIS  11           HD2      HIS  11   9.917  24.022   8.393
   93    HE1  HIS  11           HE1      HIS  11  10.322  27.514   6.017
   94    H    GLN  12           H        GLN  12   5.887  22.322   3.818
   95    HA   GLN  12           HA       GLN  12   6.811  24.013   1.604
   96    HB2  GLN  12           HB2      GLN  12   6.685  21.143   2.051
   97    HB3  GLN  12           HB3      GLN  12   5.930  21.601   0.530
   98    HG2  GLN  12           HG2      GLN  12   7.977  22.776  -0.124
   99    HG3  GLN  12           HG3      GLN  12   8.732  22.284   1.391
  100   HE21  GLN  12          HE21      GLN  12   9.777  20.412   1.445
  101   HE22  GLN  12          HE22      GLN  12   9.718  19.194   0.221
  102    H    LYS  13           H        LYS  13   3.983  22.608   3.062
  103    HA   LYS  13           HA       LYS  13   2.199  23.010   0.893
  104    HB2  LYS  13           HB2      LYS  13   2.072  21.955   3.528
  105    HB3  LYS  13           HB3      LYS  13   0.819  23.182   3.391
  106    HG2  LYS  13           HG2      LYS  13   0.010  22.047   1.337
  107    HG3  LYS  13           HG3      LYS  13   1.189  20.767   1.633
  108    HD2  LYS  13           HD2      LYS  13  -0.847  19.985   2.537
  109    HD3  LYS  13           HD3      LYS  13   0.118  20.507   3.919
  110    HE2  LYS  13           HE2      LYS  13  -1.369  22.740   2.991
  111    HE3  LYS  13           HE3      LYS  13  -2.473  21.372   3.127
  112    HZ1  LYS  13           HZ1      LYS  13  -2.225  22.737   5.181
  113    HZ2  LYS  13           HZ2      LYS  13  -0.626  22.197   5.296
  114    HZ3  LYS  13           HZ3      LYS  13  -1.902  21.091   5.395
  115    H    ARG  14           H        ARG  14   3.107  24.966   3.693
  116    HA   ARG  14           HA       ARG  14   1.217  27.003   3.411
  117    HB2  ARG  14           HB2      ARG  14   2.733  28.379   4.736
  118    HB3  ARG  14           HB3      ARG  14   2.651  26.748   5.389
  119    HG2  ARG  14           HG2      ARG  14   4.802  26.241   4.764
  120    HG3  ARG  14           HG3      ARG  14   4.822  27.440   3.470
  121    HD2  ARG  14           HD2      ARG  14   4.417  28.777   5.953
  122    HD3  ARG  14           HD3      ARG  14   5.793  27.688   6.118
  123    HE   ARG  14           HE       ARG  14   6.015  29.138   3.713
  124   HH11  ARG  14          HH11      ARG  14   7.370  30.876   7.055
  125   HH12  ARG  14          HH12      ARG  14   6.246  29.562   7.161
  126   HH21  ARG  14          HH21      ARG  14   8.079  31.619   5.007
  127   HH22  ARG  14          HH22      ARG  14   7.495  30.867   3.561
  128    H    ILE  15           H        ILE  15   3.997  26.250   1.530
  129    HA   ILE  15           HA       ILE  15   4.388  28.859   0.417
  130    HB   ILE  15           HB       ILE  15   5.309  26.168  -0.598
  131   HG12  ILE  15          HG12      ILE  15   6.856  28.274   0.924
  132   HG13  ILE  15          HG13      ILE  15   6.131  26.856   1.676
  133   HG21  ILE  15          HG21      ILE  15   5.441  28.813  -1.745
  134   HG22  ILE  15          HG22      ILE  15   7.052  28.152  -1.471
  135   HG23  ILE  15          HG23      ILE  15   5.887  27.259  -2.448
  136   HD11  ILE  15          HD11      ILE  15   7.548  25.402   0.369
  137   HD12  ILE  15          HD12      ILE  15   8.229  26.792  -0.480
  138   HD13  ILE  15          HD13      ILE  15   8.525  26.580   1.246
  139    H    ALA  16           H        ALA  16   3.224  25.821  -1.056
  140    HA   ALA  16           HA       ALA  16   2.296  26.921  -3.433
  141    HB1  ALA  16           HB1      ALA  16   1.724  24.429  -1.923
  142    HB2  ALA  16           HB2      ALA  16   0.640  24.865  -3.244
  143    HB3  ALA  16           HB3      ALA  16   2.362  24.646  -3.553
  144    H    TYR  17           H        TYR  17   0.791  26.768  -0.277
  145    HA   TYR  17           HA       TYR  17  -1.801  27.588  -1.218
  146    HB2  TYR  17           HB2      TYR  17  -1.734  26.235   0.760
  147    HB3  TYR  17           HB3      TYR  17  -0.612  27.338   1.548
  148    HD1  TYR  17           HD1      TYR  17  -1.654  28.292   3.375
  149    HD2  TYR  17           HD2      TYR  17  -3.841  27.894  -0.253
  150    HE1  TYR  17           HE1      TYR  17  -3.544  29.495   4.390
  151    HE2  TYR  17           HE2      TYR  17  -5.737  29.096   0.752
  152    HH   TYR  17           HH       TYR  17  -6.610  29.507   3.117
  153    H    SER  18           H        SER  18   1.103  29.141  -0.166
  154    HA   SER  18           HA       SER  18  -0.185  31.689   0.334
  155    HB2  SER  18           HB2      SER  18   1.655  31.349   1.749
  156    HB3  SER  18           HB3      SER  18   2.656  30.706   0.447
  157    HG   SER  18           HG       SER  18   3.189  32.673  -0.124
  158    H    LEU  19           H        LEU  19   1.515  30.073  -2.237
  159    HA   LEU  19           HA       LEU  19   2.056  32.411  -3.785
  160    HB2  LEU  19           HB2      LEU  19   3.142  31.021  -5.165
  161    HB3  LEU  19           HB3      LEU  19   2.943  29.860  -3.854
  162    HG   LEU  19           HG       LEU  19   0.715  29.293  -5.140
  163   HD11  LEU  19          HD11      LEU  19   2.269  30.917  -7.046
  164   HD12  LEU  19          HD12      LEU  19   0.534  30.616  -6.956
  165   HD13  LEU  19          HD13      LEU  19   1.601  29.410  -7.674
  166   HD21  LEU  19          HD21      LEU  19   3.334  28.230  -5.043
  167   HD22  LEU  19          HD22      LEU  19   2.752  28.056  -6.699
  168   HD23  LEU  19          HD23      LEU  19   1.820  27.383  -5.361
  169    H    LEU  20           H        LEU  20  -0.661  30.294  -3.402
  170    HA   LEU  20           HA       LEU  20  -1.974  31.237  -5.812
  171    HB2  LEU  20           HB2      LEU  20  -2.100  28.883  -4.599
  172    HB3  LEU  20           HB3      LEU  20  -3.416  29.675  -3.735
  173    HG   LEU  20           HG       LEU  20  -4.381  30.195  -6.047
  174   HD11  LEU  20          HD11      LEU  20  -2.350  28.096  -6.783
  175   HD12  LEU  20          HD12      LEU  20  -2.454  29.743  -7.403
  176   HD13  LEU  20          HD13      LEU  20  -3.712  28.571  -7.798
  177   HD21  LEU  20          HD21      LEU  20  -4.857  28.217  -4.298
  178   HD22  LEU  20          HD22      LEU  20  -4.384  27.262  -5.703
  179   HD23  LEU  20          HD23      LEU  20  -5.730  28.397  -5.819
  180    H    GLY  21           H        GLY  21  -1.888  31.956  -2.428
  181    HA2  GLY  21           HA2      GLY  21  -4.406  33.351  -2.363
  182    HA3  GLY  21           HA3      GLY  21  -3.180  33.347  -1.103
  183    H    LEU  22           H        LEU  22  -1.207  34.148  -3.322
  184    HA   LEU  22           HA       LEU  22  -1.805  37.021  -3.160
  185    HB2  LEU  22           HB2      LEU  22   0.430  35.682  -2.388
  186    HB3  LEU  22           HB3      LEU  22   0.875  36.179  -4.019
  187    HG   LEU  22           HG       LEU  22  -0.251  38.390  -2.545
  188   HD11  LEU  22          HD11      LEU  22   2.116  36.987  -1.316
  189   HD12  LEU  22          HD12      LEU  22   0.549  37.283  -0.564
  190   HD13  LEU  22          HD13      LEU  22   1.614  38.636  -0.942
  191   HD21  LEU  22          HD21      LEU  22   1.131  38.506  -4.593
  192   HD22  LEU  22          HD22      LEU  22   2.513  37.929  -3.661
  193   HD23  LEU  22          HD23      LEU  22   1.772  39.482  -3.271
  194    H    LYS  23           H        LYS  23  -0.922  34.430  -5.360
  195    HA   LYS  23           HA       LYS  23  -0.659  36.130  -7.653
  196    HB2  LYS  23           HB2      LYS  23   0.425  33.847  -7.318
  197    HB3  LYS  23           HB3      LYS  23  -1.151  33.155  -7.679
  198    HG2  LYS  23           HG2      LYS  23   0.095  33.107  -9.684
  199    HG3  LYS  23           HG3      LYS  23  -1.088  34.406  -9.856
  200    HD2  LYS  23           HD2      LYS  23   1.040  35.169 -10.687
  201    HD3  LYS  23           HD3      LYS  23   0.669  36.027  -9.190
  202    HE2  LYS  23           HE2      LYS  23   2.360  35.035  -8.046
  203    HE3  LYS  23           HE3      LYS  23   2.217  33.519  -8.935
  204    HZ1  LYS  23           HZ1      LYS  23   4.138  35.432  -9.289
  205    HZ2  LYS  23           HZ2      LYS  23   3.101  35.656 -10.606
  206    HZ3  LYS  23           HZ3      LYS  23   3.807  34.143 -10.333
  207    H    ASP  24           H        ASP  24  -3.283  34.811  -5.949
  208    HA   ASP  24           HA       ASP  24  -5.071  35.114  -8.264
  209    HB2  ASP  24           HB2      ASP  24  -4.973  32.968  -6.761
  210    HB3  ASP  24           HB3      ASP  24  -5.949  33.930  -5.655
  211    H    GLN  25           H        GLN  25  -4.272  36.383  -5.145
  212    HA   GLN  25           HA       GLN  25  -6.666  38.066  -5.110
  213    HB2  GLN  25           HB2      GLN  25  -5.623  36.755  -3.072
  214    HB3  GLN  25           HB3      GLN  25  -4.581  38.168  -2.973
  215    HG2  GLN  25           HG2      GLN  25  -7.254  39.068  -3.259
  216    HG3  GLN  25           HG3      GLN  25  -7.217  37.838  -1.997
  217   HE21  GLN  25          HE21      GLN  25  -6.075  38.219  -0.118
  218   HE22  GLN  25          HE22      GLN  25  -5.489  39.785   0.315
  219    H    VAL  26           H        VAL  26  -4.287  38.360  -6.941
  220    HA   VAL  26           HA       VAL  26  -3.977  41.230  -6.558
  221    HB   VAL  26           HB       VAL  26  -1.576  39.421  -6.867
  222   HG11  VAL  26          HG11      VAL  26  -1.728  42.420  -6.578
  223   HG12  VAL  26          HG12      VAL  26  -0.258  41.454  -6.718
  224   HG13  VAL  26          HG13      VAL  26  -1.381  41.554  -8.074
  225   HG21  VAL  26          HG21      VAL  26  -0.942  40.294  -4.638
  226   HG22  VAL  26          HG22      VAL  26  -2.516  41.080  -4.529
  227   HG23  VAL  26          HG23      VAL  26  -2.413  39.322  -4.606
  228    HN1  NH2  27           HN1      NH2  27  -5.078  41.680  -8.428
  229    HN2  NH2  27           HN2      NH2  27  -4.535  41.213 -10.005
  Start of MODEL   10
    1    H1   ACE   1           H1       ACE   1   0.933  11.210  -7.069
    2    H2   ACE   1           H2       ACE   1  -0.826  11.465  -7.182
    3    H3   ACE   1           H3       ACE   1   0.290  12.578  -8.010
    4    H    LYS   2           H        LYS   2  -1.803  12.726  -5.780
    5    HA   LYS   2           HA       LYS   2  -0.170  14.415  -4.012
    6    HB2  LYS   2           HB2      LYS   2  -2.929  14.600  -5.077
    7    HB3  LYS   2           HB3      LYS   2  -2.699  15.144  -3.421
    8    HG2  LYS   2           HG2      LYS   2  -2.457  17.049  -4.781
    9    HG3  LYS   2           HG3      LYS   2  -0.825  16.594  -4.283
   10    HD2  LYS   2           HD2      LYS   2  -0.532  15.429  -6.445
   11    HD3  LYS   2           HD3      LYS   2  -2.131  15.990  -6.937
   12    HE2  LYS   2           HE2      LYS   2   0.059  17.867  -6.086
   13    HE3  LYS   2           HE3      LYS   2  -0.146  17.343  -7.756
   14    HZ1  LYS   2           HZ1      LYS   2  -1.773  18.801  -8.035
   15    HZ2  LYS   2           HZ2      LYS   2  -1.422  19.440  -6.509
   16    HZ3  LYS   2           HZ3      LYS   2  -2.608  18.245  -6.672
   17    H    ARG   3           H        ARG   3  -2.159  11.610  -4.115
   18    HA   ARG   3           HA       ARG   3  -2.423  11.545  -1.199
   19    HB2  ARG   3           HB2      ARG   3  -4.117  10.749  -3.270
   20    HB3  ARG   3           HB3      ARG   3  -3.505   9.244  -2.596
   21    HG2  ARG   3           HG2      ARG   3  -4.787  11.439  -0.982
   22    HG3  ARG   3           HG3      ARG   3  -5.624  10.003  -1.576
   23    HD2  ARG   3           HD2      ARG   3  -4.090   8.585  -0.303
   24    HD3  ARG   3           HD3      ARG   3  -3.252  10.020   0.287
   25    HE   ARG   3           HE       ARG   3  -4.916  10.307   1.825
   26   HH11  ARG   3          HH11      ARG   3  -7.519   7.766   0.152
   27   HH12  ARG   3          HH12      ARG   3  -6.042   8.153  -0.667
   28   HH21  ARG   3          HH21      ARG   3  -7.981   8.707   2.189
   29   HH22  ARG   3          HH22      ARG   3  -6.857   9.805   2.915
   30    H    ILE   4           H        ILE   4   0.058  11.022  -2.930
   31    HA   ILE   4           HA       ILE   4   0.818   8.544  -1.550
   32    HB   ILE   4           HB       ILE   4   1.656   9.150  -4.383
   33   HG12  ILE   4          HG12      ILE   4  -0.771   8.685  -4.258
   34   HG13  ILE   4          HG13      ILE   4   0.107   7.411  -5.098
   35   HG21  ILE   4          HG21      ILE   4   1.977   6.475  -3.961
   36   HG22  ILE   4          HG22      ILE   4   3.251   7.685  -3.816
   37   HG23  ILE   4          HG23      ILE   4   2.380   7.146  -2.381
   38   HD11  ILE   4          HD11      ILE   4  -1.650   7.166  -2.923
   39   HD12  ILE   4          HD12      ILE   4  -0.700   5.902  -3.704
   40   HD13  ILE   4          HD13      ILE   4  -0.039   6.775  -2.322
   41    H    GLY   5           H        GLY   5   2.134   9.460  -0.050
   42    HA2  GLY   5           HA2      GLY   5   4.433   9.945   0.433
   43    HA3  GLY   5           HA3      GLY   5   4.532  10.810  -1.094
   44    H    VAL   6           H        VAL   6   4.416  11.196   2.169
   45    HA   VAL   6           HA       VAL   6   2.961  13.734   2.099
   46    HB   VAL   6           HB       VAL   6   2.458  12.199   3.950
   47   HG11  VAL   6          HG11      VAL   6   4.020  11.121   5.111
   48   HG12  VAL   6          HG12      VAL   6   5.206  11.763   3.973
   49   HG13  VAL   6          HG13      VAL   6   4.872  12.620   5.479
   50   HG21  VAL   6          HG21      VAL   6   3.923  14.578   5.059
   51   HG22  VAL   6          HG22      VAL   6   2.411  14.734   4.165
   52   HG23  VAL   6          HG23      VAL   6   2.456  13.811   5.668
   53    H    ARG   7           H        ARG   7   6.158  12.471   2.133
   54    HA   ARG   7           HA       ARG   7   7.269  15.099   2.833
   55    HB2  ARG   7           HB2      ARG   7   8.389  12.314   2.895
   56    HB3  ARG   7           HB3      ARG   7   9.462  13.706   2.855
   57    HG2  ARG   7           HG2      ARG   7   7.562  14.224   4.861
   58    HG3  ARG   7           HG3      ARG   7   8.083  12.551   5.072
   59    HD2  ARG   7           HD2      ARG   7   9.997  14.847   4.724
   60    HD3  ARG   7           HD3      ARG   7   9.438  14.288   6.299
   61    HE   ARG   7           HE       ARG   7  10.451  12.102   4.859
   62   HH11  ARG   7          HH11      ARG   7  13.109  14.394   6.784
   63   HH12  ARG   7          HH12      ARG   7  11.536  15.020   6.417
   64   HH21  ARG   7          HH21      ARG   7  13.667  12.259   6.168
   65   HH22  ARG   7          HH22      ARG   7  12.519  11.266   5.337
   66    H    LEU   8           H        LEU   8   6.051  14.478   0.253
   67    HA   LEU   8           HA       LEU   8   7.820  13.887  -1.780
   68    HB2  LEU   8           HB2      LEU   8   6.305  14.860  -3.255
   69    HB3  LEU   8           HB3      LEU   8   5.314  14.353  -1.889
   70    HG   LEU   8           HG       LEU   8   6.061  17.018  -1.377
   71   HD11  LEU   8          HD11      LEU   8   6.567  16.941  -3.902
   72   HD12  LEU   8          HD12      LEU   8   5.565  18.251  -3.279
   73   HD13  LEU   8          HD13      LEU   8   4.815  16.880  -4.096
   74   HD21  LEU   8          HD21      LEU   8   3.671  17.418  -1.550
   75   HD22  LEU   8          HD22      LEU   8   3.981  15.896  -0.714
   76   HD23  LEU   8          HD23      LEU   8   3.457  15.886  -2.398
   77    HA   PRO   9           HA       PRO   9  10.735  17.159  -2.032
   78    HB2  PRO   9           HB2      PRO   9  11.168  17.268  -4.710
   79    HB3  PRO   9           HB3      PRO   9  11.766  15.952  -3.692
   80    HG2  PRO   9           HG2      PRO   9   9.339  16.040  -5.443
   81    HG3  PRO   9           HG3      PRO   9  10.524  14.737  -5.239
   82    HD2  PRO   9           HD2      PRO   9   8.110  14.715  -4.014
   83    HD3  PRO   9           HD3      PRO   9   9.558  13.994  -3.283
   84    H    GLY  10           H        GLY  10  11.186  19.110  -3.756
   85    HA2  GLY  10           HA2      GLY  10  10.345  21.014  -4.821
   86    HA3  GLY  10           HA3      GLY  10   8.714  20.443  -4.506
   87    H    HIS  11           H        HIS  11  11.139  22.598  -3.578
   88    HA   HIS  11           HA       HIS  11   9.831  23.137  -1.000
   89    HB2  HIS  11           HB2      HIS  11  11.920  24.590  -0.640
   90    HB3  HIS  11           HB3      HIS  11  12.131  22.842  -0.608
   91    HD1  HIS  11           HD1      HIS  11  13.269  21.763  -2.735
   92    HD2  HIS  11           HD2      HIS  11  13.332  25.915  -2.599
   93    HE1  HIS  11           HE1      HIS  11  14.978  22.466  -4.441
   94    H    GLN  12           H        GLN  12  11.179  24.826  -3.831
   95    HA   GLN  12           HA       GLN  12  10.224  27.375  -3.215
   96    HB2  GLN  12           HB2      GLN  12  11.503  26.095  -5.424
   97    HB3  GLN  12           HB3      GLN  12  10.160  27.050  -6.038
   98    HG2  GLN  12           HG2      GLN  12  11.031  29.042  -5.098
   99    HG3  GLN  12           HG3      GLN  12  12.233  28.152  -4.165
  100   HE21  GLN  12          HE21      GLN  12  14.101  27.481  -5.139
  101   HE22  GLN  12          HE22      GLN  12  14.566  27.961  -6.732
  102    H    LYS  13           H        LYS  13   8.614  24.602  -4.549
  103    HA   LYS  13           HA       LYS  13   6.395  25.883  -5.715
  104    HB2  LYS  13           HB2      LYS  13   5.264  23.651  -5.376
  105    HB3  LYS  13           HB3      LYS  13   6.782  23.602  -6.263
  106    HG2  LYS  13           HG2      LYS  13   7.636  22.171  -4.808
  107    HG3  LYS  13           HG3      LYS  13   7.297  23.269  -3.468
  108    HD2  LYS  13           HD2      LYS  13   5.115  21.595  -4.658
  109    HD3  LYS  13           HD3      LYS  13   6.227  20.909  -3.470
  110    HE2  LYS  13           HE2      LYS  13   5.576  22.503  -1.826
  111    HE3  LYS  13           HE3      LYS  13   4.674  23.448  -3.011
  112    HZ1  LYS  13           HZ1      LYS  13   2.895  22.271  -2.474
  113    HZ2  LYS  13           HZ2      LYS  13   3.791  21.273  -1.445
  114    HZ3  LYS  13           HZ3      LYS  13   3.637  20.878  -3.082
  115    H    ARG  14           H        ARG  14   7.097  24.900  -2.419
  116    HA   ARG  14           HA       ARG  14   4.537  25.126  -1.321
  117    HB2  ARG  14           HB2      ARG  14   6.669  24.215  -0.239
  118    HB3  ARG  14           HB3      ARG  14   7.063  25.888   0.134
  119    HG2  ARG  14           HG2      ARG  14   4.468  25.617   1.034
  120    HG3  ARG  14           HG3      ARG  14   5.223  24.075   1.444
  121    HD2  ARG  14           HD2      ARG  14   5.829  25.238   3.295
  122    HD3  ARG  14           HD3      ARG  14   7.168  25.707   2.249
  123    HE   ARG  14           HE       ARG  14   5.313  27.616   1.769
  124   HH11  ARG  14          HH11      ARG  14   6.593  27.827   5.556
  125   HH12  ARG  14          HH12      ARG  14   6.737  26.340   4.678
  126   HH21  ARG  14          HH21      ARG  14   5.672  29.668   4.552
  127   HH22  ARG  14          HH22      ARG  14   5.119  29.579   2.914
  128    H    ILE  15           H        ILE  15   6.723  27.538  -2.428
  129    HA   ILE  15           HA       ILE  15   5.477  29.684  -0.925
  130    HB   ILE  15           HB       ILE  15   7.559  29.793  -3.111
  131   HG12  ILE  15          HG12      ILE  15   8.304  30.539  -0.374
  132   HG13  ILE  15          HG13      ILE  15   7.842  28.849  -0.541
  133   HG21  ILE  15          HG21      ILE  15   7.860  32.101  -1.783
  134   HG22  ILE  15          HG22      ILE  15   6.825  31.930  -3.200
  135   HG23  ILE  15          HG23      ILE  15   6.123  31.873  -1.584
  136   HD11  ILE  15          HD11      ILE  15   9.929  28.478  -1.185
  137   HD12  ILE  15          HD12      ILE  15   9.518  29.299  -2.691
  138   HD13  ILE  15          HD13      ILE  15  10.256  30.201  -1.368
  139    H    ALA  16           H        ALA  16   5.654  28.582  -4.290
  140    HA   ALA  16           HA       ALA  16   4.050  30.653  -5.365
  141    HB1  ALA  16           HB1      ALA  16   5.487  28.452  -6.360
  142    HB2  ALA  16           HB2      ALA  16   3.823  28.253  -6.908
  143    HB3  ALA  16           HB3      ALA  16   4.701  29.737  -7.277
  144    H    TYR  17           H        TYR  17   3.310  27.780  -3.625
  145    HA   TYR  17           HA       TYR  17   0.520  27.799  -4.496
  146    HB2  TYR  17           HB2      TYR  17   2.198  25.877  -2.909
  147    HB3  TYR  17           HB3      TYR  17   0.442  25.777  -2.870
  148    HD1  TYR  17           HD1      TYR  17   3.044  26.261  -5.520
  149    HD2  TYR  17           HD2      TYR  17  -0.417  24.143  -4.239
  150    HE1  TYR  17           HE1      TYR  17   3.079  24.955  -7.604
  151    HE2  TYR  17           HE2      TYR  17  -0.391  22.831  -6.319
  152    HH   TYR  17           HH       TYR  17   0.479  22.752  -8.436
  153    H    SER  18           H        SER  18   2.531  28.646  -1.792
  154    HA   SER  18           HA       SER  18   0.403  28.865   0.113
  155    HB2  SER  18           HB2      SER  18   2.565  28.478   1.019
  156    HB3  SER  18           HB3      SER  18   3.271  29.804   0.096
  157    HG   SER  18           HG       SER  18   2.541  31.205   1.518
  158    H    LEU  19           H        LEU  19   1.834  30.942  -2.270
  159    HA   LEU  19           HA       LEU  19   0.647  33.349  -1.180
  160    HB2  LEU  19           HB2      LEU  19   2.665  32.696  -3.120
  161    HB3  LEU  19           HB3      LEU  19   1.495  33.817  -3.813
  162    HG   LEU  19           HG       LEU  19   3.410  34.996  -2.874
  163   HD11  LEU  19          HD11      LEU  19   1.469  36.290  -2.837
  164   HD12  LEU  19          HD12      LEU  19   2.099  36.418  -1.196
  165   HD13  LEU  19          HD13      LEU  19   0.747  35.339  -1.539
  166   HD21  LEU  19          HD21      LEU  19   2.589  34.123  -0.131
  167   HD22  LEU  19          HD22      LEU  19   4.109  34.841  -0.668
  168   HD23  LEU  19          HD23      LEU  19   3.731  33.166  -1.075
  169    H    LEU  20           H        LEU  20   0.213  31.287  -4.039
  170    HA   LEU  20           HA       LEU  20  -1.992  32.758  -5.067
  171    HB2  LEU  20           HB2      LEU  20  -0.609  30.233  -5.681
  172    HB3  LEU  20           HB3      LEU  20  -2.305  30.299  -6.153
  173    HG   LEU  20           HG       LEU  20  -0.889  30.907  -8.018
  174   HD11  LEU  20          HD11      LEU  20  -2.192  33.411  -6.976
  175   HD12  LEU  20          HD12      LEU  20  -3.095  32.047  -7.635
  176   HD13  LEU  20          HD13      LEU  20  -1.956  32.926  -8.655
  177   HD21  LEU  20          HD21      LEU  20   0.334  33.177  -7.766
  178   HD22  LEU  20          HD22      LEU  20   1.098  31.713  -7.146
  179   HD23  LEU  20          HD23      LEU  20   0.285  32.820  -6.039
  180    H    GLY  21           H        GLY  21  -1.658  30.358  -2.620
  181    HA2  GLY  21           HA2      GLY  21  -4.353  29.390  -2.698
  182    HA3  GLY  21           HA3      GLY  21  -3.195  29.146  -1.398
  183    H    LEU  22           H        LEU  22  -2.699  31.977  -0.990
  184    HA   LEU  22           HA       LEU  22  -5.126  32.577   0.528
  185    HB2  LEU  22           HB2      LEU  22  -2.522  32.619   1.268
  186    HB3  LEU  22           HB3      LEU  22  -2.763  34.308   0.825
  187    HG   LEU  22           HG       LEU  22  -4.864  34.057   2.410
  188   HD11  LEU  22          HD11      LEU  22  -4.890  32.351   3.857
  189   HD12  LEU  22          HD12      LEU  22  -3.140  32.377   4.072
  190   HD13  LEU  22          HD13      LEU  22  -3.845  31.545   2.687
  191   HD21  LEU  22          HD21      LEU  22  -2.652  35.444   2.567
  192   HD22  LEU  22          HD22      LEU  22  -2.229  34.252   3.796
  193   HD23  LEU  22          HD23      LEU  22  -3.679  35.239   3.986
  194    H    LYS  23           H        LYS  23  -3.158  33.780  -2.081
  195    HA   LYS  23           HA       LYS  23  -4.365  36.380  -2.171
  196    HB2  LYS  23           HB2      LYS  23  -2.611  34.849  -4.088
  197    HB3  LYS  23           HB3      LYS  23  -3.240  36.450  -4.457
  198    HG2  LYS  23           HG2      LYS  23  -1.597  35.846  -2.012
  199    HG3  LYS  23           HG3      LYS  23  -0.906  36.383  -3.545
  200    HD2  LYS  23           HD2      LYS  23  -1.446  38.505  -3.127
  201    HD3  LYS  23           HD3      LYS  23  -3.114  38.068  -2.748
  202    HE2  LYS  23           HE2      LYS  23  -2.746  38.136  -0.537
  203    HE3  LYS  23           HE3      LYS  23  -1.196  37.308  -0.677
  204    HZ1  LYS  23           HZ1      LYS  23  -0.274  39.470  -1.482
  205    HZ2  LYS  23           HZ2      LYS  23  -0.766  39.470   0.136
  206    HZ3  LYS  23           HZ3      LYS  23  -1.736  40.200  -1.043
  207    H    ASP  24           H        ASP  24  -5.264  33.271  -3.229
  208    HA   ASP  24           HA       ASP  24  -6.921  34.136  -5.422
  209    HB2  ASP  24           HB2      ASP  24  -5.951  31.919  -5.513
  210    HB3  ASP  24           HB3      ASP  24  -6.708  31.485  -3.983
  211    H    GLN  25           H        GLN  25  -7.278  33.620  -2.010
  212    HA   GLN  25           HA       GLN  25 -10.187  33.977  -2.231
  213    HB2  GLN  25           HB2      GLN  25 -10.155  33.250   0.207
  214    HB3  GLN  25           HB3      GLN  25  -9.743  32.023  -0.983
  215    HG2  GLN  25           HG2      GLN  25  -7.402  32.266  -0.498
  216    HG3  GLN  25           HG3      GLN  25  -7.731  33.614   0.589
  217   HE21  GLN  25          HE21      GLN  25  -6.483  30.924   0.976
  218   HE22  GLN  25          HE22      GLN  25  -7.338  30.232   2.308
  219    H    VAL  26           H        VAL  26  -7.334  35.601  -1.474
  220    HA   VAL  26           HA       VAL  26  -7.958  37.264   0.635
  221    HB   VAL  26           HB       VAL  26  -5.765  37.197  -0.553
  222   HG11  VAL  26          HG11      VAL  26  -5.421  38.038  -2.631
  223   HG12  VAL  26          HG12      VAL  26  -7.120  37.599  -2.819
  224   HG13  VAL  26          HG13      VAL  26  -6.673  39.268  -2.461
  225   HG21  VAL  26          HG21      VAL  26  -5.375  39.699  -0.389
  226   HG22  VAL  26          HG22      VAL  26  -7.092  39.841  -0.012
  227   HG23  VAL  26          HG23      VAL  26  -6.031  38.911   1.046
  228    HN1  NH2  27           HN1      NH2  27  -9.136  37.334  -2.665
  229    HN2  NH2  27           HN2      NH2  27 -10.184  38.702  -2.488
  Start of MODEL   11
    1    H1   ACE   1           H1       ACE   1  -2.929   9.854   3.941
    2    H2   ACE   1           H2       ACE   1  -3.554  11.447   3.448
    3    H3   ACE   1           H3       ACE   1  -3.398  10.141   2.248
    4    H    LYS   2           H        LYS   2  -1.082   9.162   2.344
    5    HA   LYS   2           HA       LYS   2   0.891  11.335   2.462
    6    HB2  LYS   2           HB2      LYS   2   1.296   8.340   2.355
    7    HB3  LYS   2           HB3      LYS   2   2.586   9.534   2.432
    8    HG2  LYS   2           HG2      LYS   2   0.763  10.024   4.564
    9    HG3  LYS   2           HG3      LYS   2   1.198   8.314   4.562
   10    HD2  LYS   2           HD2      LYS   2   3.333   8.730   5.154
   11    HD3  LYS   2           HD3      LYS   2   3.440  10.167   4.135
   12    HE2  LYS   2           HE2      LYS   2   3.202  11.448   5.932
   13    HE3  LYS   2           HE3      LYS   2   1.619  10.733   6.229
   14    HZ1  LYS   2           HZ1      LYS   2   3.100  10.505   8.136
   15    HZ2  LYS   2           HZ2      LYS   2   4.202   9.632   7.196
   16    HZ3  LYS   2           HZ3      LYS   2   2.669   8.992   7.513
   17    H    ARG   3           H        ARG   3  -0.799   9.245   0.316
   18    HA   ARG   3           HA       ARG   3   1.045   9.756  -1.888
   19    HB2  ARG   3           HB2      ARG   3  -0.508   7.579  -1.249
   20    HB3  ARG   3           HB3      ARG   3  -1.459   8.362  -2.504
   21    HG2  ARG   3           HG2      ARG   3   1.451   7.664  -2.807
   22    HG3  ARG   3           HG3      ARG   3   0.125   6.616  -3.316
   23    HD2  ARG   3           HD2      ARG   3  -0.704   8.488  -4.744
   24    HD3  ARG   3           HD3      ARG   3   0.757   9.384  -4.328
   25    HE   ARG   3           HE       ARG   3   1.465   6.855  -5.339
   26   HH11  ARG   3          HH11      ARG   3   0.739   9.760  -7.996
   27   HH12  ARG   3          HH12      ARG   3   0.136   9.901  -6.378
   28   HH21  ARG   3          HH21      ARG   3   1.949   7.916  -8.614
   29   HH22  ARG   3          HH22      ARG   3   2.265   6.659  -7.466
   30    H    ILE   4           H        ILE   4  -0.862  11.743  -0.525
   31    HA   ILE   4           HA       ILE   4  -2.686  12.470  -2.641
   32    HB   ILE   4           HB       ILE   4  -3.374  12.872  -0.355
   33   HG12  ILE   4          HG12      ILE   4  -4.028  15.228  -0.537
   34   HG13  ILE   4          HG13      ILE   4  -2.802  15.483  -1.774
   35   HG21  ILE   4          HG21      ILE   4  -1.986  13.609   1.212
   36   HG22  ILE   4          HG22      ILE   4  -0.714  13.698  -0.004
   37   HG23  ILE   4          HG23      ILE   4  -1.719  15.109   0.324
   38   HD11  ILE   4          HD11      ILE   4  -4.817  13.369  -2.259
   39   HD12  ILE   4          HD12      ILE   4  -5.339  15.051  -2.365
   40   HD13  ILE   4          HD13      ILE   4  -4.027  14.469  -3.389
   41    H    GLY   5           H        GLY   5   0.542  13.247  -1.694
   42    HA2  GLY   5           HA2      GLY   5   1.846  14.232  -3.590
   43    HA3  GLY   5           HA3      GLY   5   0.575  15.443  -3.673
   44    H    VAL   6           H        VAL   6   1.173  14.569  -0.489
   45    HA   VAL   6           HA       VAL   6   2.392  17.126   0.060
   46    HB   VAL   6           HB       VAL   6   0.643  16.160   1.536
   47   HG11  VAL   6          HG11      VAL   6   0.896  14.235   2.742
   48   HG12  VAL   6          HG12      VAL   6   1.833  13.813   1.307
   49   HG13  VAL   6          HG13      VAL   6   2.655  14.353   2.771
   50   HG21  VAL   6          HG21      VAL   6   2.271  17.871   2.312
   51   HG22  VAL   6          HG22      VAL   6   1.656  16.842   3.605
   52   HG23  VAL   6          HG23      VAL   6   3.272  16.568   2.955
   53    H    ARG   7           H        ARG   7   3.457  13.904  -0.436
   54    HA   ARG   7           HA       ARG   7   6.018  14.392   0.890
   55    HB2  ARG   7           HB2      ARG   7   6.466  12.039   0.554
   56    HB3  ARG   7           HB3      ARG   7   4.866  12.230   1.258
   57    HG2  ARG   7           HG2      ARG   7   3.796  11.718  -0.776
   58    HG3  ARG   7           HG3      ARG   7   5.292  11.899  -1.694
   59    HD2  ARG   7           HD2      ARG   7   4.543   9.529  -1.275
   60    HD3  ARG   7           HD3      ARG   7   6.196   9.907  -0.793
   61    HE   ARG   7           HE       ARG   7   4.374  10.245   1.366
   62   HH11  ARG   7          HH11      ARG   7   6.145   6.695   0.828
   63   HH12  ARG   7          HH12      ARG   7   6.106   7.845  -0.467
   64   HH21  ARG   7          HH21      ARG   7   5.184   7.205   2.844
   65   HH22  ARG   7          HH22      ARG   7   4.418   8.740   3.079
   66    H    LEU   8           H        LEU   8   4.960  15.540  -1.765
   67    HA   LEU   8           HA       LEU   8   6.764  14.486  -3.742
   68    HB2  LEU   8           HB2      LEU   8   5.138  17.023  -3.796
   69    HB3  LEU   8           HB3      LEU   8   5.912  16.246  -5.176
   70    HG   LEU   8           HG       LEU   8   3.706  14.967  -3.571
   71   HD11  LEU   8          HD11      LEU   8   3.469  16.436  -6.191
   72   HD12  LEU   8          HD12      LEU   8   2.959  17.077  -4.630
   73   HD13  LEU   8          HD13      LEU   8   2.173  15.645  -5.293
   74   HD21  LEU   8          HD21      LEU   8   4.997  13.352  -4.756
   75   HD22  LEU   8          HD22      LEU   8   5.006  14.342  -6.216
   76   HD23  LEU   8          HD23      LEU   8   3.503  13.603  -5.660
   77    HA   PRO   9           HA       PRO   9  10.300  16.975  -2.978
   78    HB2  PRO   9           HB2      PRO   9  11.245  17.321  -5.499
   79    HB3  PRO   9           HB3      PRO   9  11.347  15.781  -4.638
   80    HG2  PRO   9           HG2      PRO   9   9.371  16.667  -6.704
   81    HG3  PRO   9           HG3      PRO   9  10.194  15.105  -6.540
   82    HD2  PRO   9           HD2      PRO   9   7.641  15.500  -5.727
   83    HD3  PRO   9           HD3      PRO   9   8.739  14.368  -4.911
   84    H    GLY  10           H        GLY  10  11.076  19.094  -3.041
   85    HA2  GLY  10           HA2      GLY  10  11.097  21.300  -4.051
   86    HA3  GLY  10           HA3      GLY  10   9.432  21.029  -4.544
   87    H    HIS  11           H        HIS  11  11.362  22.593  -2.364
   88    HA   HIS  11           HA       HIS  11   9.278  22.654  -0.290
   89    HB2  HIS  11           HB2      HIS  11  11.137  23.815   1.052
   90    HB3  HIS  11           HB3      HIS  11  11.318  22.092   0.737
   91    HD1  HIS  11           HD1      HIS  11  13.091  21.421  -1.105
   92    HD2  HIS  11           HD2      HIS  11  13.123  25.421   0.019
   93    HE1  HIS  11           HE1      HIS  11  15.271  22.342  -1.957
   94    H    GLN  12           H        GLN  12  11.493  24.811  -2.058
   95    HA   GLN  12           HA       GLN  12  10.379  27.227  -1.198
   96    HB2  GLN  12           HB2      GLN  12  12.171  26.357  -3.367
   97    HB3  GLN  12           HB3      GLN  12  11.290  27.845  -3.690
   98    HG2  GLN  12           HG2      GLN  12  12.171  28.296  -1.167
   99    HG3  GLN  12           HG3      GLN  12  13.480  27.313  -1.820
  100   HE21  GLN  12          HE21      GLN  12  15.069  28.628  -2.357
  101   HE22  GLN  12          HE22      GLN  12  14.914  30.089  -3.267
  102    H    LYS  13           H        LYS  13   9.331  24.951  -3.595
  103    HA   LYS  13           HA       LYS  13   7.604  26.693  -5.035
  104    HB2  LYS  13           HB2      LYS  13   7.731  23.691  -4.776
  105    HB3  LYS  13           HB3      LYS  13   6.547  24.505  -5.790
  106    HG2  LYS  13           HG2      LYS  13   9.258  25.422  -6.287
  107    HG3  LYS  13           HG3      LYS  13   9.060  23.688  -6.552
  108    HD2  LYS  13           HD2      LYS  13   7.274  24.064  -8.104
  109    HD3  LYS  13           HD3      LYS  13   7.239  25.787  -7.721
  110    HE2  LYS  13           HE2      LYS  13   9.845  24.768  -8.615
  111    HE3  LYS  13           HE3      LYS  13   8.566  24.691  -9.826
  112    HZ1  LYS  13           HZ1      LYS  13   9.862  27.010  -8.641
  113    HZ2  LYS  13           HZ2      LYS  13   8.199  27.149  -8.916
  114    HZ3  LYS  13           HZ3      LYS  13   9.242  26.794 -10.200
  115    H    ARG  14           H        ARG  14   7.174  24.541  -2.272
  116    HA   ARG  14           HA       ARG  14   4.388  24.646  -2.080
  117    HB2  ARG  14           HB2      ARG  14   6.372  23.409  -0.677
  118    HB3  ARG  14           HB3      ARG  14   5.847  24.626   0.479
  119    HG2  ARG  14           HG2      ARG  14   4.013  22.660  -0.876
  120    HG3  ARG  14           HG3      ARG  14   4.706  22.447   0.733
  121    HD2  ARG  14           HD2      ARG  14   2.803  24.595  -0.183
  122    HD3  ARG  14           HD3      ARG  14   2.496  23.316   0.992
  123    HE   ARG  14           HE       ARG  14   3.856  25.810   1.453
  124   HH11  ARG  14          HH11      ARG  14   3.891  22.875   4.175
  125   HH12  ARG  14          HH12      ARG  14   3.409  22.535   2.547
  126   HH21  ARG  14          HH21      ARG  14   4.507  25.000   4.771
  127   HH22  ARG  14          HH22      ARG  14   4.493  26.270   3.594
  128    H    ILE  15           H        ILE  15   6.771  27.030  -1.407
  129    HA   ILE  15           HA       ILE  15   5.044  28.610   0.304
  130    HB   ILE  15           HB       ILE  15   7.741  29.274  -0.883
  131   HG12  ILE  15          HG12      ILE  15   7.494  28.884   2.015
  132   HG13  ILE  15          HG13      ILE  15   7.160  27.433   1.076
  133   HG21  ILE  15          HG21      ILE  15   5.800  30.840   0.643
  134   HG22  ILE  15          HG22      ILE  15   7.425  30.849   1.326
  135   HG23  ILE  15          HG23      ILE  15   7.166  31.369  -0.339
  136   HD11  ILE  15          HD11      ILE  15   9.653  28.494   1.802
  137   HD12  ILE  15          HD12      ILE  15   9.321  27.098   0.775
  138   HD13  ILE  15          HD13      ILE  15   9.506  28.697   0.056
  139    H    ALA  16           H        ALA  16   6.394  28.810  -2.970
  140    HA   ALA  16           HA       ALA  16   5.199  31.287  -3.635
  141    HB1  ALA  16           HB1      ALA  16   7.115  29.893  -4.790
  142    HB2  ALA  16           HB2      ALA  16   5.771  29.280  -5.754
  143    HB3  ALA  16           HB3      ALA  16   6.109  31.011  -5.713
  144    H    TYR  17           H        TYR  17   3.982  28.072  -3.471
  145    HA   TYR  17           HA       TYR  17   1.657  28.712  -5.120
  146    HB2  TYR  17           HB2      TYR  17   2.816  26.511  -5.367
  147    HB3  TYR  17           HB3      TYR  17   2.328  26.115  -3.723
  148    HD1  TYR  17           HD1      TYR  17   0.877  27.153  -7.001
  149    HD2  TYR  17           HD2      TYR  17   0.327  24.994  -3.376
  150    HE1  TYR  17           HE1      TYR  17  -1.258  26.277  -7.854
  151    HE2  TYR  17           HE2      TYR  17  -1.808  24.111  -4.219
  152    HH   TYR  17           HH       TYR  17  -3.348  24.252  -5.838
  153    H    SER  18           H        SER  18   2.608  28.357  -1.809
  154    HA   SER  18           HA       SER  18  -0.066  28.103  -0.778
  155    HB2  SER  18           HB2      SER  18   1.691  27.121   0.524
  156    HB3  SER  18           HB3      SER  18   2.598  28.633   0.549
  157    HG   SER  18           HG       SER  18   0.724  27.790   2.250
  158    H    LEU  19           H        LEU  19   2.087  30.687  -1.591
  159    HA   LEU  19           HA       LEU  19   0.595  32.669  -0.086
  160    HB2  LEU  19           HB2      LEU  19   3.152  32.527  -1.459
  161    HB3  LEU  19           HB3      LEU  19   2.284  34.020  -1.811
  162    HG   LEU  19           HG       LEU  19   3.906  34.186   0.072
  163   HD11  LEU  19          HD11      LEU  19   2.606  35.675   1.221
  164   HD12  LEU  19          HD12      LEU  19   1.198  34.613   1.230
  165   HD13  LEU  19          HD13      LEU  19   1.639  35.479  -0.241
  166   HD21  LEU  19          HD21      LEU  19   2.135  32.921   2.001
  167   HD22  LEU  19          HD22      LEU  19   3.886  32.804   1.823
  168   HD23  LEU  19          HD23      LEU  19   2.830  31.773   0.856
  169    H    LEU  20           H        LEU  20   1.209  31.869  -3.492
  170    HA   LEU  20           HA       LEU  20  -0.476  33.901  -4.538
  171    HB2  LEU  20           HB2      LEU  20   1.048  31.619  -5.570
  172    HB3  LEU  20           HB3      LEU  20  -0.402  32.003  -6.495
  173    HG   LEU  20           HG       LEU  20   1.522  33.084  -7.477
  174   HD11  LEU  20          HD11      LEU  20   0.575  35.156  -7.801
  175   HD12  LEU  20          HD12      LEU  20   0.091  35.320  -6.114
  176   HD13  LEU  20          HD13      LEU  20  -0.797  34.236  -7.184
  177   HD21  LEU  20          HD21      LEU  20   3.047  34.381  -6.361
  178   HD22  LEU  20          HD22      LEU  20   2.652  33.202  -5.110
  179   HD23  LEU  20          HD23      LEU  20   1.915  34.804  -5.077
  180    H    GLY  21           H        GLY  21  -1.064  30.776  -3.219
  181    HA2  GLY  21           HA2      GLY  21  -3.563  30.296  -4.534
  182    HA3  GLY  21           HA3      GLY  21  -2.949  29.448  -3.123
  183    H    LEU  22           H        LEU  22  -2.611  31.780  -1.483
  184    HA   LEU  22           HA       LEU  22  -5.409  32.176  -0.752
  185    HB2  LEU  22           HB2      LEU  22  -3.237  31.584   0.751
  186    HB3  LEU  22           HB3      LEU  22  -3.289  33.336   0.930
  187    HG   LEU  22           HG       LEU  22  -5.815  31.854   1.399
  188   HD11  LEU  22          HD11      LEU  22  -5.166  31.322   3.698
  189   HD12  LEU  22          HD12      LEU  22  -3.513  31.825   3.346
  190   HD13  LEU  22          HD13      LEU  22  -4.202  30.425   2.525
  191   HD21  LEU  22          HD21      LEU  22  -6.200  34.027   1.869
  192   HD22  LEU  22          HD22      LEU  22  -4.502  34.370   2.202
  193   HD23  LEU  22          HD23      LEU  22  -5.502  33.590   3.429
  194    H    LYS  23           H        LYS  23  -2.643  33.925  -1.933
  195    HA   LYS  23           HA       LYS  23  -3.753  36.531  -1.425
  196    HB2  LYS  23           HB2      LYS  23  -1.384  35.590  -3.041
  197    HB3  LYS  23           HB3      LYS  23  -1.841  37.283  -2.906
  198    HG2  LYS  23           HG2      LYS  23  -1.355  35.630  -0.460
  199    HG3  LYS  23           HG3      LYS  23  -0.016  36.359  -1.349
  200    HD2  LYS  23           HD2      LYS  23  -0.384  38.177  -0.100
  201    HD3  LYS  23           HD3      LYS  23  -1.807  38.436  -1.113
  202    HE2  LYS  23           HE2      LYS  23  -3.082  36.993   0.513
  203    HE3  LYS  23           HE3      LYS  23  -1.667  37.059   1.563
  204    HZ1  LYS  23           HZ1      LYS  23  -3.164  38.744   2.254
  205    HZ2  LYS  23           HZ2      LYS  23  -3.354  39.333   0.679
  206    HZ3  LYS  23           HZ3      LYS  23  -1.876  39.524   1.481
  207    H    ASP  24           H        ASP  24  -4.176  34.141  -3.793
  208    HA   ASP  24           HA       ASP  24  -4.713  35.778  -6.048
  209    HB2  ASP  24           HB2      ASP  24  -4.257  33.523  -6.537
  210    HB3  ASP  24           HB3      ASP  24  -5.393  32.938  -5.325
  211    H    GLN  25           H        GLN  25  -6.653  34.618  -3.370
  212    HA   GLN  25           HA       GLN  25  -9.061  35.802  -4.538
  213    HB2  GLN  25           HB2      GLN  25  -8.539  33.834  -2.353
  214    HB3  GLN  25           HB3      GLN  25 -10.023  34.777  -2.301
  215    HG2  GLN  25           HG2      GLN  25  -9.266  33.316  -4.791
  216    HG3  GLN  25           HG3      GLN  25 -10.006  32.453  -3.444
  217   HE21  GLN  25          HE21      GLN  25 -10.646  33.949  -6.267
  218   HE22  GLN  25          HE22      GLN  25 -12.294  34.397  -6.006
  219    H    VAL  26           H        VAL  26  -6.752  37.335  -3.420
  220    HA   VAL  26           HA       VAL  26  -7.529  38.474  -0.939
  221    HB   VAL  26           HB       VAL  26  -5.213  38.566  -1.855
  222   HG11  VAL  26          HG11      VAL  26  -6.312  40.732  -3.642
  223   HG12  VAL  26          HG12      VAL  26  -4.631  40.207  -3.527
  224   HG13  VAL  26          HG13      VAL  26  -5.854  39.116  -4.179
  225   HG21  VAL  26          HG21      VAL  26  -5.739  39.999  -0.025
  226   HG22  VAL  26          HG22      VAL  26  -4.802  40.947  -1.178
  227   HG23  VAL  26          HG23      VAL  26  -6.550  41.153  -1.083
  228    HN1  NH2  27           HN1      NH2  27  -8.726  40.258  -0.442
  229    HN2  NH2  27           HN2      NH2  27  -9.627  41.180  -1.598
  Start of MODEL   12
    1    H1   ACE   1           H1       ACE   1  -6.600   8.362   2.769
    2    H2   ACE   1           H2       ACE   1  -5.342   7.124   2.536
    3    H3   ACE   1           H3       ACE   1  -5.380   8.084   4.035
    4    H    LYS   2           H        LYS   2  -3.144   8.461   3.436
    5    HA   LYS   2           HA       LYS   2  -2.930  10.744   1.585
    6    HB2  LYS   2           HB2      LYS   2  -2.506  10.993   4.150
    7    HB3  LYS   2           HB3      LYS   2  -0.966  10.223   3.792
    8    HG2  LYS   2           HG2      LYS   2  -0.232  12.003   2.496
    9    HG3  LYS   2           HG3      LYS   2  -1.866  12.625   2.252
   10    HD2  LYS   2           HD2      LYS   2  -1.225  14.104   3.840
   11    HD3  LYS   2           HD3      LYS   2  -1.709  12.801   4.928
   12    HE2  LYS   2           HE2      LYS   2   0.823  12.065   4.460
   13    HE3  LYS   2           HE3      LYS   2   0.987  13.805   4.235
   14    HZ1  LYS   2           HZ1      LYS   2  -0.453  12.864   6.600
   15    HZ2  LYS   2           HZ2      LYS   2   0.532  14.225   6.408
   16    HZ3  LYS   2           HZ3      LYS   2   1.230  12.694   6.588
   17    H    ARG   3           H        ARG   3  -2.759   8.427   0.315
   18    HA   ARG   3           HA       ARG   3   0.079   7.715   0.124
   19    HB2  ARG   3           HB2      ARG   3  -2.177   6.138   0.139
   20    HB3  ARG   3           HB3      ARG   3  -1.799   6.243  -1.575
   21    HG2  ARG   3           HG2      ARG   3   0.154   5.395   0.554
   22    HG3  ARG   3           HG3      ARG   3  -0.786   4.290  -0.451
   23    HD2  ARG   3           HD2      ARG   3   0.256   5.246  -2.456
   24    HD3  ARG   3           HD3      ARG   3   1.207   6.327  -1.438
   25    HE   ARG   3           HE       ARG   3   2.607   4.579  -0.936
   26   HH11  ARG   3          HH11      ARG   3   0.342   1.751  -2.640
   27   HH12  ARG   3          HH12      ARG   3  -0.277   3.359  -2.458
   28   HH21  ARG   3          HH21      ARG   3   2.453   1.244  -1.907
   29   HH22  ARG   3          HH22      ARG   3   3.433   2.465  -1.170
   30    H    ILE   4           H        ILE   4  -1.427  10.146  -1.005
   31    HA   ILE   4           HA       ILE   4  -1.119   9.801  -3.864
   32    HB   ILE   4           HB       ILE   4  -2.960  11.171  -3.097
   33   HG12  ILE   4          HG12      ILE   4  -2.537  13.202  -4.421
   34   HG13  ILE   4          HG13      ILE   4  -0.810  12.864  -4.391
   35   HG21  ILE   4          HG21      ILE   4  -1.034  12.168  -1.264
   36   HG22  ILE   4          HG22      ILE   4  -1.657  13.524  -2.201
   37   HG23  ILE   4          HG23      ILE   4  -2.769  12.479  -1.316
   38   HD11  ILE   4          HD11      ILE   4  -2.613  12.088  -6.329
   39   HD12  ILE   4          HD12      ILE   4  -0.970  11.482  -6.116
   40   HD13  ILE   4          HD13      ILE   4  -2.329  10.619  -5.396
   41    H    GLY   5           H        GLY   5   0.723  11.004  -1.196
   42    HA2  GLY   5           HA2      GLY   5   3.188  11.007  -1.908
   43    HA3  GLY   5           HA3      GLY   5   2.658  12.242  -3.041
   44    H    VAL   6           H        VAL   6   4.078  11.754  -0.110
   45    HA   VAL   6           HA       VAL   6   3.070  14.263   1.040
   46    HB   VAL   6           HB       VAL   6   3.047  12.260   2.502
   47   HG11  VAL   6          HG11      VAL   6   5.888  12.251   3.070
   48   HG12  VAL   6          HG12      VAL   6   4.797  10.902   2.742
   49   HG13  VAL   6          HG13      VAL   6   5.548  11.776   1.406
   50   HG21  VAL   6          HG21      VAL   6   3.629  14.787   3.166
   51   HG22  VAL   6          HG22      VAL   6   3.507  13.487   4.352
   52   HG23  VAL   6          HG23      VAL   6   5.089  13.993   3.757
   53    H    ARG   7           H        ARG   7   5.802  12.831  -0.480
   54    HA   ARG   7           HA       ARG   7   7.444  15.180   0.204
   55    HB2  ARG   7           HB2      ARG   7   8.206  12.342  -0.452
   56    HB3  ARG   7           HB3      ARG   7   9.365  13.660  -0.570
   57    HG2  ARG   7           HG2      ARG   7   9.156  14.134   1.769
   58    HG3  ARG   7           HG3      ARG   7   7.836  12.974   1.930
   59    HD2  ARG   7           HD2      ARG   7  10.362  11.936   0.806
   60    HD3  ARG   7           HD3      ARG   7  10.401  12.406   2.505
   61    HE   ARG   7           HE       ARG   7   9.105  10.122   1.384
   62   HH11  ARG   7          HH11      ARG   7   8.098  11.404   5.041
   63   HH12  ARG   7          HH12      ARG   7   8.963  12.453   3.966
   64   HH21  ARG   7          HH21      ARG   7   7.534   9.287   4.371
   65   HH22  ARG   7          HH22      ARG   7   7.967   8.731   2.790
   66    H    LEU   8           H        LEU   8   5.707  15.751  -1.687
   67    HA   LEU   8           HA       LEU   8   6.513  15.063  -4.331
   68    HB2  LEU   8           HB2      LEU   8   4.975  17.542  -3.678
   69    HB3  LEU   8           HB3      LEU   8   4.828  16.475  -5.073
   70    HG   LEU   8           HG       LEU   8   4.081  14.828  -3.026
   71   HD11  LEU   8          HD11      LEU   8   2.260  16.482  -1.996
   72   HD12  LEU   8          HD12      LEU   8   3.578  17.631  -2.229
   73   HD13  LEU   8          HD13      LEU   8   3.827  16.193  -1.238
   74   HD21  LEU   8          HD21      LEU   8   2.990  15.162  -5.219
   75   HD22  LEU   8          HD22      LEU   8   2.263  16.646  -4.602
   76   HD23  LEU   8          HD23      LEU   8   1.843  15.091  -3.882
   77    HA   PRO   9           HA       PRO   9   9.780  17.896  -5.095
   78    HB2  PRO   9           HB2      PRO   9   9.384  18.454  -7.722
   79    HB3  PRO   9           HB3      PRO   9  10.001  16.898  -7.153
   80    HG2  PRO   9           HG2      PRO   9   7.219  17.650  -7.963
   81    HG3  PRO   9           HG3      PRO   9   8.138  16.183  -8.346
   82    HD2  PRO   9           HD2      PRO   9   6.257  16.257  -6.400
   83    HD3  PRO   9           HD3      PRO   9   7.693  15.219  -6.300
   84    H    GLY  10           H        GLY  10  10.286  20.106  -5.631
   85    HA2  GLY  10           HA2      GLY  10   9.624  22.323  -6.256
   86    HA3  GLY  10           HA3      GLY  10   7.965  21.898  -5.865
   87    H    HIS  11           H        HIS  11  10.831  23.325  -4.753
   88    HA   HIS  11           HA       HIS  11   9.895  23.302  -1.969
   89    HB2  HIS  11           HB2      HIS  11  12.220  24.301  -1.543
   90    HB3  HIS  11           HB3      HIS  11  12.144  22.607  -2.019
   91    HD1  HIS  11           HD1      HIS  11  13.377  25.925  -3.129
   92    HD2  HIS  11           HD2      HIS  11  13.100  22.061  -4.632
   93    HE1  HIS  11           HE1      HIS  11  14.860  25.886  -5.159
   94    H    GLN  12           H        GLN  12  11.199  25.529  -4.422
   95    HA   GLN  12           HA       GLN  12  10.394  27.847  -2.916
   96    HB2  GLN  12           HB2      GLN  12  11.830  27.329  -5.458
   97    HB3  GLN  12           HB3      GLN  12  10.987  28.867  -5.332
   98    HG2  GLN  12           HG2      GLN  12  12.212  29.125  -3.093
   99    HG3  GLN  12           HG3      GLN  12  13.251  27.825  -3.676
  100   HE21  GLN  12          HE21      GLN  12  15.077  29.062  -3.845
  101   HE22  GLN  12          HE22      GLN  12  15.265  30.318  -5.016
  102    H    LYS  13           H        LYS  13   9.096  25.904  -5.495
  103    HA   LYS  13           HA       LYS  13   7.190  27.745  -6.478
  104    HB2  LYS  13           HB2      LYS  13   7.298  24.729  -6.520
  105    HB3  LYS  13           HB3      LYS  13   6.029  25.651  -7.315
  106    HG2  LYS  13           HG2      LYS  13   8.173  26.871  -8.356
  107    HG3  LYS  13           HG3      LYS  13   8.854  25.268  -8.069
  108    HD2  LYS  13           HD2      LYS  13   7.739  24.402  -9.794
  109    HD3  LYS  13           HD3      LYS  13   6.215  25.098  -9.239
  110    HE2  LYS  13           HE2      LYS  13   6.642  26.008 -11.388
  111    HE3  LYS  13           HE3      LYS  13   6.980  27.284 -10.220
  112    HZ1  LYS  13           HZ1      LYS  13   9.100  27.367 -10.843
  113    HZ2  LYS  13           HZ2      LYS  13   8.653  26.449 -12.191
  114    HZ3  LYS  13           HZ3      LYS  13   9.282  25.685 -10.819
  115    H    ARG  14           H        ARG  14   7.206  25.542  -3.765
  116    HA   ARG  14           HA       ARG  14   4.410  25.614  -3.254
  117    HB2  ARG  14           HB2      ARG  14   6.126  23.909  -2.409
  118    HB3  ARG  14           HB3      ARG  14   6.539  25.105  -1.187
  119    HG2  ARG  14           HG2      ARG  14   3.783  24.941  -1.046
  120    HG3  ARG  14           HG3      ARG  14   4.301  23.275  -1.311
  121    HD2  ARG  14           HD2      ARG  14   4.563  23.271   0.926
  122    HD3  ARG  14           HD3      ARG  14   6.097  24.054   0.546
  123    HE   ARG  14           HE       ARG  14   5.291  26.006   1.444
  124   HH11  ARG  14          HH11      ARG  14   1.514  24.739   1.841
  125   HH12  ARG  14          HH12      ARG  14   2.661  23.773   0.974
  126   HH21  ARG  14          HH21      ARG  14   2.157  26.738   2.758
  127   HH22  ARG  14          HH22      ARG  14   3.790  27.287   2.588
  128    H    ILE  15           H        ILE  15   6.961  27.821  -2.701
  129    HA   ILE  15           HA       ILE  15   5.624  29.207  -0.530
  130    HB   ILE  15           HB       ILE  15   8.113  29.955  -2.070
  131   HG12  ILE  15          HG12      ILE  15   8.366  27.878  -0.783
  132   HG13  ILE  15          HG13      ILE  15   9.317  29.181  -0.077
  133   HG21  ILE  15          HG21      ILE  15   8.110  31.166   0.449
  134   HG22  ILE  15          HG22      ILE  15   7.911  31.950  -1.117
  135   HG23  ILE  15          HG23      ILE  15   6.494  31.428  -0.206
  136   HD11  ILE  15          HD11      ILE  15   7.298  27.562   1.122
  137   HD12  ILE  15          HD12      ILE  15   8.359  28.759   1.866
  138   HD13  ILE  15          HD13      ILE  15   6.811  29.256   1.184
  139    H    ALA  16           H        ALA  16   6.512  29.880  -3.908
  140    HA   ALA  16           HA       ALA  16   5.216  32.405  -4.006
  141    HB1  ALA  16           HB1      ALA  16   5.439  32.092  -6.504
  142    HB2  ALA  16           HB2      ALA  16   6.938  32.019  -5.578
  143    HB3  ALA  16           HB3      ALA  16   6.183  30.532  -6.151
  144    H    TYR  17           H        TYR  17   4.092  29.170  -4.230
  145    HA   TYR  17           HA       TYR  17   1.619  29.935  -5.573
  146    HB2  TYR  17           HB2      TYR  17   2.781  27.806  -6.163
  147    HB3  TYR  17           HB3      TYR  17   2.458  27.221  -4.535
  148    HD1  TYR  17           HD1      TYR  17   0.683  28.565  -7.531
  149    HD2  TYR  17           HD2      TYR  17   0.522  26.009  -4.134
  150    HE1  TYR  17           HE1      TYR  17  -1.505  27.724  -8.275
  151    HE2  TYR  17           HE2      TYR  17  -1.666  25.160  -4.869
  152    HH   TYR  17           HH       TYR  17  -3.181  26.334  -7.862
  153    H    SER  18           H        SER  18   2.854  29.327  -2.410
  154    HA   SER  18           HA       SER  18   0.316  28.806  -1.174
  155    HB2  SER  18           HB2      SER  18   1.671  29.238   0.960
  156    HB3  SER  18           HB3      SER  18   2.180  27.882  -0.046
  157    HG   SER  18           HG       SER  18   3.672  29.845   0.758
  158    H    LEU  19           H        LEU  19   2.467  31.603  -1.462
  159    HA   LEU  19           HA       LEU  19   0.874  33.332   0.136
  160    HB2  LEU  19           HB2      LEU  19   3.345  33.452  -1.274
  161    HB3  LEU  19           HB3      LEU  19   2.363  34.837  -1.749
  162    HG   LEU  19           HG       LEU  19   3.839  35.429   0.078
  163   HD11  LEU  19          HD11      LEU  19   1.755  36.584   0.050
  164   HD12  LEU  19          HD12      LEU  19   2.120  36.180   1.727
  165   HD13  LEU  19          HD13      LEU  19   0.931  35.235   0.832
  166   HD21  LEU  19          HD21      LEU  19   4.288  34.090   1.795
  167   HD22  LEU  19          HD22      LEU  19   3.343  32.845   0.978
  168   HD23  LEU  19          HD23      LEU  19   2.577  33.892   2.173
  169    H    LEU  20           H        LEU  20   1.210  32.891  -3.372
  170    HA   LEU  20           HA       LEU  20  -0.727  34.870  -4.039
  171    HB2  LEU  20           HB2      LEU  20   0.856  32.833  -5.465
  172    HB3  LEU  20           HB3      LEU  20  -0.667  33.290  -6.227
  173    HG   LEU  20           HG       LEU  20   1.163  34.575  -7.155
  174   HD11  LEU  20          HD11      LEU  20  -0.398  36.420  -5.370
  175   HD12  LEU  20          HD12      LEU  20  -1.124  35.590  -6.746
  176   HD13  LEU  20          HD13      LEU  20   0.207  36.719  -7.000
  177   HD21  LEU  20          HD21      LEU  20   2.824  34.639  -5.532
  178   HD22  LEU  20          HD22      LEU  20   1.718  35.199  -4.278
  179   HD23  LEU  20          HD23      LEU  20   2.228  36.299  -5.560
  180    H    GLY  21           H        GLY  21  -0.924  31.620  -2.981
  181    HA2  GLY  21           HA2      GLY  21  -3.480  31.036  -4.169
  182    HA3  GLY  21           HA3      GLY  21  -2.654  30.081  -2.947
  183    H    LEU  22           H        LEU  22  -2.370  32.435  -1.171
  184    HA   LEU  22           HA       LEU  22  -5.106  32.396  -0.111
  185    HB2  LEU  22           HB2      LEU  22  -2.763  31.803   1.118
  186    HB3  LEU  22           HB3      LEU  22  -2.942  33.504   1.544
  187    HG   LEU  22           HG       LEU  22  -5.391  32.617   2.202
  188   HD11  LEU  22          HD11      LEU  22  -4.270  30.398   3.511
  189   HD12  LEU  22          HD12      LEU  22  -3.842  30.244   1.807
  190   HD13  LEU  22          HD13      LEU  22  -5.533  30.407   2.279
  191   HD21  LEU  22          HD21      LEU  22  -3.106  32.210   4.099
  192   HD22  LEU  22          HD22      LEU  22  -4.724  32.831   4.426
  193   HD23  LEU  22          HD23      LEU  22  -3.561  33.820   3.542
  194    H    LYS  23           H        LYS  23  -2.605  34.494  -1.295
  195    HA   LYS  23           HA       LYS  23  -3.826  36.920  -0.339
  196    HB2  LYS  23           HB2      LYS  23  -1.576  36.376  -2.276
  197    HB3  LYS  23           HB3      LYS  23  -2.132  37.999  -1.889
  198    HG2  LYS  23           HG2      LYS  23  -1.082  36.019   0.122
  199    HG3  LYS  23           HG3      LYS  23  -0.139  37.319  -0.610
  200    HD2  LYS  23           HD2      LYS  23  -0.917  38.769   0.885
  201    HD3  LYS  23           HD3      LYS  23  -2.580  38.388   0.433
  202    HE2  LYS  23           HE2      LYS  23  -2.440  36.395   1.940
  203    HE3  LYS  23           HE3      LYS  23  -0.872  36.988   2.485
  204    HZ1  LYS  23           HZ1      LYS  23  -3.547  38.064   3.000
  205    HZ2  LYS  23           HZ2      LYS  23  -2.254  39.151   2.916
  206    HZ3  LYS  23           HZ3      LYS  23  -2.232  37.897   4.051
  207    H    ASP  24           H        ASP  24  -4.336  34.820  -2.951
  208    HA   ASP  24           HA       ASP  24  -5.694  36.916  -4.506
  209    HB2  ASP  24           HB2      ASP  24  -3.896  35.312  -5.517
  210    HB3  ASP  24           HB3      ASP  24  -5.210  34.139  -5.534
  211    H    GLN  25           H        GLN  25  -6.148  33.937  -2.764
  212    HA   GLN  25           HA       GLN  25  -8.962  33.817  -3.573
  213    HB2  GLN  25           HB2      GLN  25  -7.129  31.820  -3.267
  214    HB3  GLN  25           HB3      GLN  25  -7.944  31.779  -1.709
  215    HG2  GLN  25           HG2      GLN  25  -9.852  31.974  -3.854
  216    HG3  GLN  25           HG3      GLN  25  -8.775  30.598  -4.088
  217   HE21  GLN  25          HE21      GLN  25 -11.674  31.249  -3.026
  218   HE22  GLN  25          HE22      GLN  25 -11.821  30.148  -1.703
  219    H    VAL  26           H        VAL  26  -7.746  35.813  -1.695
  220    HA   VAL  26           HA       VAL  26  -8.334  35.357   0.960
  221    HB   VAL  26           HB       VAL  26  -8.737  37.944  -0.547
  222   HG11  VAL  26          HG11      VAL  26  -9.476  38.772   1.377
  223   HG12  VAL  26          HG12      VAL  26  -9.203  37.231   2.193
  224   HG13  VAL  26          HG13      VAL  26  -7.902  38.418   2.089
  225   HG21  VAL  26          HG21      VAL  26  -6.484  37.015  -0.814
  226   HG22  VAL  26          HG22      VAL  26  -6.469  38.489   0.154
  227   HG23  VAL  26          HG23      VAL  26  -6.320  36.917   0.939
  228    HN1  NH2  27           HN1      NH2  27 -10.508  36.833  -1.478
  229    HN2  NH2  27           HN2      NH2  27 -11.984  36.434  -0.664
  Start of MODEL   13
    1    H1   ACE   1           H1       ACE   1  -3.391   8.214  -1.887
    2    H2   ACE   1           H2       ACE   1  -3.431   9.993  -1.935
    3    H3   ACE   1           H3       ACE   1  -4.024   9.052  -3.324
    4    H    LYS   2           H        LYS   2  -2.592  10.250  -4.614
    5    HA   LYS   2           HA       LYS   2   0.089   9.079  -4.655
    6    HB2  LYS   2           HB2      LYS   2  -1.786   9.610  -6.654
    7    HB3  LYS   2           HB3      LYS   2  -0.541  10.831  -6.883
    8    HG2  LYS   2           HG2      LYS   2   1.010   8.665  -6.580
    9    HG3  LYS   2           HG3      LYS   2  -0.430   7.911  -7.268
   10    HD2  LYS   2           HD2      LYS   2  -0.242   9.054  -9.259
   11    HD3  LYS   2           HD3      LYS   2   0.657  10.387  -8.530
   12    HE2  LYS   2           HE2      LYS   2   2.154   9.134  -9.921
   13    HE3  LYS   2           HE3      LYS   2   2.585   8.843  -8.236
   14    HZ1  LYS   2           HZ1      LYS   2   1.910   6.693  -8.337
   15    HZ2  LYS   2           HZ2      LYS   2   2.342   6.889  -9.960
   16    HZ3  LYS   2           HZ3      LYS   2   0.717   6.984  -9.501
   17    H    ARG   3           H        ARG   3  -1.545  12.037  -4.013
   18    HA   ARG   3           HA       ARG   3   0.947  13.571  -4.179
   19    HB2  ARG   3           HB2      ARG   3  -1.638  14.842  -3.414
   20    HB3  ARG   3           HB3      ARG   3  -0.313  15.485  -4.375
   21    HG2  ARG   3           HG2      ARG   3  -1.804  15.193  -6.042
   22    HG3  ARG   3           HG3      ARG   3  -1.129  13.563  -6.033
   23    HD2  ARG   3           HD2      ARG   3  -3.003  12.646  -5.142
   24    HD3  ARG   3           HD3      ARG   3  -3.376  14.077  -4.183
   25    HE   ARG   3           HE       ARG   3  -4.671  14.853  -5.905
   26   HH11  ARG   3          HH11      ARG   3  -3.438  12.167  -8.605
   27   HH12  ARG   3          HH12      ARG   3  -2.652  12.265  -7.064
   28   HH21  ARG   3          HH21      ARG   3  -5.179  13.572  -9.097
   29   HH22  ARG   3          HH22      ARG   3  -5.714  14.734  -7.930
   30    H    ILE   4           H        ILE   4  -0.326  11.621  -2.011
   31    HA   ILE   4           HA       ILE   4   0.618  13.245   0.247
   32    HB   ILE   4           HB       ILE   4  -1.770  11.422   0.478
   33   HG12  ILE   4          HG12      ILE   4  -1.734  14.429   0.135
   34   HG13  ILE   4          HG13      ILE   4  -2.321  13.265  -1.048
   35   HG21  ILE   4          HG21      ILE   4  -0.185  12.238   2.436
   36   HG22  ILE   4          HG22      ILE   4  -1.201  13.674   2.327
   37   HG23  ILE   4          HG23      ILE   4  -1.931  12.101   2.649
   38   HD11  ILE   4          HD11      ILE   4  -3.712  12.704   1.305
   39   HD12  ILE   4          HD12      ILE   4  -3.688  14.463   1.165
   40   HD13  ILE   4          HD13      ILE   4  -4.328  13.482  -0.153
   41    H    GLY   5           H        GLY   5   2.566  12.111   0.268
   42    HA2  GLY   5           HA2      GLY   5   2.438   9.556   1.625
   43    HA3  GLY   5           HA3      GLY   5   3.140   9.488   0.015
   44    H    VAL   6           H        VAL   6   5.272   9.645  -0.059
   45    HA   VAL   6           HA       VAL   6   6.686  10.760   2.251
   46    HB   VAL   6           HB       VAL   6   7.226   8.448   1.336
   47   HG11  VAL   6          HG11      VAL   6   8.216   8.145  -0.688
   48   HG12  VAL   6          HG12      VAL   6   7.248   9.568  -1.077
   49   HG13  VAL   6          HG13      VAL   6   8.960   9.743  -0.689
   50   HG21  VAL   6          HG21      VAL   6   9.654  10.192   1.294
   51   HG22  VAL   6          HG22      VAL   6   8.700  10.040   2.769
   52   HG23  VAL   6          HG23      VAL   6   9.426   8.609   2.037
   53    H    ARG   7           H        ARG   7   5.385  12.339   0.047
   54    HA   ARG   7           HA       ARG   7   7.781  13.808  -0.842
   55    HB2  ARG   7           HB2      ARG   7   5.167  13.287  -2.234
   56    HB3  ARG   7           HB3      ARG   7   6.175  14.658  -2.681
   57    HG2  ARG   7           HG2      ARG   7   7.945  12.546  -2.663
   58    HG3  ARG   7           HG3      ARG   7   6.465  11.845  -3.322
   59    HD2  ARG   7           HD2      ARG   7   7.301  14.494  -4.358
   60    HD3  ARG   7           HD3      ARG   7   8.264  13.098  -4.838
   61    HE   ARG   7           HE       ARG   7   5.615  12.413  -5.255
   62   HH11  ARG   7          HH11      ARG   7   7.124  14.924  -7.983
   63   HH12  ARG   7          HH12      ARG   7   7.867  14.797  -6.423
   64   HH21  ARG   7          HH21      ARG   7   5.281  13.659  -8.483
   65   HH22  ARG   7          HH22      ARG   7   4.628  12.572  -7.305
   66    H    LEU   8           H        LEU   8   6.581  14.247   1.662
   67    HA   LEU   8           HA       LEU   8   4.648  16.218   1.815
   68    HB2  LEU   8           HB2      LEU   8   6.926  15.391   3.530
   69    HB3  LEU   8           HB3      LEU   8   6.145  16.929   3.892
   70    HG   LEU   8           HG       LEU   8   3.966  15.637   4.009
   71   HD11  LEU   8          HD11      LEU   8   5.843  13.284   4.166
   72   HD12  LEU   8          HD12      LEU   8   4.771  13.641   2.812
   73   HD13  LEU   8          HD13      LEU   8   4.094  13.256   4.394
   74   HD21  LEU   8          HD21      LEU   8   4.219  15.500   6.244
   75   HD22  LEU   8          HD22      LEU   8   5.768  16.274   5.910
   76   HD23  LEU   8          HD23      LEU   8   5.684  14.525   6.127
   77    HA   PRO   9           HA       PRO   9   6.370  19.984   0.365
   78    HB2  PRO   9           HB2      PRO   9   5.466  21.788   2.181
   79    HB3  PRO   9           HB3      PRO   9   4.414  21.014   0.990
   80    HG2  PRO   9           HG2      PRO   9   4.826  20.337   3.877
   81    HG3  PRO   9           HG3      PRO   9   3.316  20.415   2.950
   82    HD2  PRO   9           HD2      PRO   9   4.562  18.077   3.510
   83    HD3  PRO   9           HD3      PRO   9   3.632  18.330   2.020
   84    H    GLY  10           H        GLY  10   8.176  21.247   0.540
   85    HA2  GLY  10           HA2      GLY  10   9.749  20.911   3.015
   86    HA3  GLY  10           HA3      GLY  10  10.440  21.140   1.415
   87    H    HIS  11           H        HIS  11  11.331  23.068   1.181
   88    HA   HIS  11           HA       HIS  11  10.304  25.315   2.756
   89    HB2  HIS  11           HB2      HIS  11  12.940  24.535   1.722
   90    HB3  HIS  11           HB3      HIS  11  12.569  26.244   1.519
   91    HD1  HIS  11           HD1      HIS  11  12.235  23.736   4.374
   92    HD2  HIS  11           HD2      HIS  11  13.430  27.648   3.648
   93    HE1  HIS  11           HE1      HIS  11  12.983  24.635   6.601
   94    H    GLN  12           H        GLN  12  10.501  24.114  -0.461
   95    HA   GLN  12           HA       GLN  12   9.953  26.700  -1.671
   96    HB2  GLN  12           HB2      GLN  12  10.985  24.172  -2.572
   97    HB3  GLN  12           HB3      GLN  12   9.621  24.646  -3.576
   98    HG2  GLN  12           HG2      GLN  12  10.773  26.267  -4.576
   99    HG3  GLN  12           HG3      GLN  12  11.481  26.826  -3.061
  100   HE21  GLN  12          HE21      GLN  12  13.464  26.058  -2.424
  101   HE22  GLN  12          HE22      GLN  12  14.490  25.129  -3.457
  102    H    LYS  13           H        LYS  13   8.275  23.813  -0.703
  103    HA   LYS  13           HA       LYS  13   5.924  24.154  -2.226
  104    HB2  LYS  13           HB2      LYS  13   6.717  22.581   0.163
  105    HB3  LYS  13           HB3      LYS  13   4.994  22.846  -0.070
  106    HG2  LYS  13           HG2      LYS  13   5.357  20.840  -1.152
  107    HG3  LYS  13           HG3      LYS  13   5.424  22.007  -2.474
  108    HD2  LYS  13           HD2      LYS  13   8.035  21.796  -1.411
  109    HD3  LYS  13           HD3      LYS  13   7.418  20.154  -1.609
  110    HE2  LYS  13           HE2      LYS  13   6.628  21.183  -3.943
  111    HE3  LYS  13           HE3      LYS  13   8.017  22.226  -3.642
  112    HZ1  LYS  13           HZ1      LYS  13   8.513  19.418  -3.191
  113    HZ2  LYS  13           HZ2      LYS  13   9.444  20.563  -4.018
  114    HZ3  LYS  13           HZ3      LYS  13   8.148  19.806  -4.798
  115    H    ARG  14           H        ARG  14   6.866  25.286   0.990
  116    HA   ARG  14           HA       ARG  14   4.413  26.363   1.781
  117    HB2  ARG  14           HB2      ARG  14   6.717  26.078   3.041
  118    HB3  ARG  14           HB3      ARG  14   6.956  27.742   2.524
  119    HG2  ARG  14           HG2      ARG  14   4.376  27.656   3.595
  120    HG3  ARG  14           HG3      ARG  14   5.385  26.712   4.692
  121    HD2  ARG  14           HD2      ARG  14   5.350  29.046   5.364
  122    HD3  ARG  14           HD3      ARG  14   6.966  28.580   4.833
  123    HE   ARG  14           HE       ARG  14   5.505  29.692   2.682
  124   HH11  ARG  14          HH11      ARG  14   7.526  32.175   5.085
  125   HH12  ARG  14          HH12      ARG  14   7.143  30.573   5.624
  126   HH21  ARG  14          HH21      ARG  14   6.876  32.870   3.002
  127   HH22  ARG  14          HH22      ARG  14   6.003  31.798   1.961
  128    H    ILE  15           H        ILE  15   6.681  27.443  -0.565
  129    HA   ILE  15           HA       ILE  15   5.714  30.177  -0.585
  130    HB   ILE  15           HB       ILE  15   7.615  28.772  -2.466
  131   HG12  ILE  15          HG12      ILE  15   8.470  28.952  -0.166
  132   HG13  ILE  15          HG13      ILE  15   9.368  29.993  -1.265
  133   HG21  ILE  15          HG21      ILE  15   6.369  31.411  -2.513
  134   HG22  ILE  15          HG22      ILE  15   8.127  31.457  -2.633
  135   HG23  ILE  15          HG23      ILE  15   7.188  30.520  -3.795
  136   HD11  ILE  15          HD11      ILE  15   8.935  31.108   0.842
  137   HD12  ILE  15          HD12      ILE  15   8.089  31.917  -0.478
  138   HD13  ILE  15          HD13      ILE  15   7.201  30.870   0.629
  139    H    ALA  16           H        ALA  16   5.561  27.321  -2.685
  140    HA   ALA  16           HA       ALA  16   4.020  28.533  -4.725
  141    HB1  ALA  16           HB1      ALA  16   4.724  25.738  -3.984
  142    HB2  ALA  16           HB2      ALA  16   3.418  26.005  -5.140
  143    HB3  ALA  16           HB3      ALA  16   5.035  26.625  -5.477
  144    H    TYR  17           H        TYR  17   3.219  27.281  -1.620
  145    HA   TYR  17           HA       TYR  17   0.379  27.078  -2.272
  146    HB2  TYR  17           HB2      TYR  17   1.486  25.321  -0.881
  147    HB3  TYR  17           HB3      TYR  17   1.759  26.535   0.364
  148    HD1  TYR  17           HD1      TYR  17  -1.107  25.334  -1.727
  149    HD2  TYR  17           HD2      TYR  17   0.281  26.495   2.124
  150    HE1  TYR  17           HE1      TYR  17  -3.332  24.864  -0.791
  151    HE2  TYR  17           HE2      TYR  17  -1.940  26.027   3.071
  152    HH   TYR  17           HH       TYR  17  -4.023  25.391   2.655
  153    H    SER  18           H        SER  18   2.644  29.161  -0.683
  154    HA   SER  18           HA       SER  18   0.665  30.660   0.772
  155    HB2  SER  18           HB2      SER  18   2.864  30.587   1.719
  156    HB3  SER  18           HB3      SER  18   3.597  31.136   0.213
  157    HG   SER  18           HG       SER  18   2.352  32.579   2.208
  158    H    LEU  19           H        LEU  19   2.095  30.762  -2.376
  159    HA   LEU  19           HA       LEU  19   1.226  33.482  -2.897
  160    HB2  LEU  19           HB2      LEU  19   2.929  31.492  -4.214
  161    HB3  LEU  19           HB3      LEU  19   1.963  32.469  -5.318
  162    HG   LEU  19           HG       LEU  19   3.491  33.921  -3.237
  163   HD11  LEU  19          HD11      LEU  19   5.585  33.674  -4.191
  164   HD12  LEU  19          HD12      LEU  19   4.938  33.004  -5.688
  165   HD13  LEU  19          HD13      LEU  19   4.952  32.028  -4.220
  166   HD21  LEU  19          HD21      LEU  19   1.988  34.810  -5.174
  167   HD22  LEU  19          HD22      LEU  19   3.418  34.513  -6.163
  168   HD23  LEU  19          HD23      LEU  19   3.508  35.620  -4.793
  169    H    LEU  20           H        LEU  20   0.344  30.189  -3.817
  170    HA   LEU  20           HA       LEU  20  -1.767  31.052  -5.571
  171    HB2  LEU  20           HB2      LEU  20  -0.579  28.502  -4.720
  172    HB3  LEU  20           HB3      LEU  20  -2.301  28.436  -5.089
  173    HG   LEU  20           HG       LEU  20  -1.002  27.791  -7.025
  174   HD11  LEU  20          HD11      LEU  20  -1.897  30.514  -7.791
  175   HD12  LEU  20          HD12      LEU  20  -3.086  29.425  -7.078
  176   HD13  LEU  20          HD13      LEU  20  -2.229  28.955  -8.546
  177   HD21  LEU  20          HD21      LEU  20   0.603  29.195  -8.069
  178   HD22  LEU  20          HD22      LEU  20   1.030  29.112  -6.360
  179   HD23  LEU  20          HD23      LEU  20   0.219  30.543  -6.998
  180    H    GLY  21           H        GLY  21  -1.473  31.063  -2.299
  181    HA2  GLY  21           HA2      GLY  21  -4.292  30.362  -1.818
  182    HA3  GLY  21           HA3      GLY  21  -3.048  30.483  -0.583
  183    H    LEU  22           H        LEU  22  -2.101  33.036  -1.909
  184    HA   LEU  22           HA       LEU  22  -4.163  34.777  -0.733
  185    HB2  LEU  22           HB2      LEU  22  -1.509  34.559  -0.078
  186    HB3  LEU  22           HB3      LEU  22  -1.519  35.944  -1.168
  187    HG   LEU  22           HG       LEU  22  -3.332  35.765   1.226
  188   HD11  LEU  22          HD11      LEU  22  -0.634  35.742   1.471
  189   HD12  LEU  22          HD12      LEU  22  -1.737  36.476   2.634
  190   HD13  LEU  22          HD13      LEU  22  -0.955  37.475   1.409
  191   HD21  LEU  22          HD21      LEU  22  -4.148  37.645   0.378
  192   HD22  LEU  22          HD22      LEU  22  -2.971  37.609  -0.935
  193   HD23  LEU  22          HD23      LEU  22  -2.565  38.394   0.592
  194    H    LYS  23           H        LYS  23  -2.305  34.081  -3.562
  195    HA   LYS  23           HA       LYS  23  -3.214  36.539  -4.875
  196    HB2  LYS  23           HB2      LYS  23  -0.778  35.536  -4.955
  197    HB3  LYS  23           HB3      LYS  23  -1.462  34.522  -6.218
  198    HG2  LYS  23           HG2      LYS  23  -0.989  36.162  -7.632
  199    HG3  LYS  23           HG3      LYS  23  -2.303  37.073  -6.884
  200    HD2  LYS  23           HD2      LYS  23   0.452  37.101  -5.703
  201    HD3  LYS  23           HD3      LYS  23   0.037  38.162  -7.052
  202    HE2  LYS  23           HE2      LYS  23  -1.918  38.955  -5.670
  203    HE3  LYS  23           HE3      LYS  23  -1.217  38.071  -4.315
  204    HZ1  LYS  23           HZ1      LYS  23   0.877  39.427  -4.858
  205    HZ2  LYS  23           HZ2      LYS  23  -0.392  40.198  -4.049
  206    HZ3  LYS  23           HZ3      LYS  23  -0.170  40.449  -5.708
  207    H    ASP  24           H        ASP  24  -4.356  33.527  -4.356
  208    HA   ASP  24           HA       ASP  24  -5.805  33.504  -6.920
  209    HB2  ASP  24           HB2      ASP  24  -4.053  31.539  -6.056
  210    HB3  ASP  24           HB3      ASP  24  -5.635  30.898  -5.618
  211    H    GLN  25           H        GLN  25  -5.869  32.818  -3.469
  212    HA   GLN  25           HA       GLN  25  -8.764  32.433  -3.549
  213    HB2  GLN  25           HB2      GLN  25  -6.805  31.218  -2.061
  214    HB3  GLN  25           HB3      GLN  25  -7.447  32.398  -0.926
  215    HG2  GLN  25           HG2      GLN  25  -8.954  30.830  -0.448
  216    HG3  GLN  25           HG3      GLN  25  -9.727  31.325  -1.953
  217   HE21  GLN  25          HE21      GLN  25 -10.559  29.400  -2.562
  218   HE22  GLN  25          HE22      GLN  25  -9.608  28.011  -2.950
  219    H    VAL  26           H        VAL  26  -7.373  35.048  -3.988
  220    HA   VAL  26           HA       VAL  26  -7.757  36.708  -1.732
  221    HB   VAL  26           HB       VAL  26  -6.329  37.379  -3.603
  222   HG11  VAL  26          HG11      VAL  26  -7.189  38.017  -5.732
  223   HG12  VAL  26          HG12      VAL  26  -7.813  36.406  -5.373
  224   HG13  VAL  26          HG13      VAL  26  -8.853  37.818  -5.185
  225   HG21  VAL  26          HG21      VAL  26  -6.995  39.694  -3.723
  226   HG22  VAL  26          HG22      VAL  26  -8.647  39.280  -3.265
  227   HG23  VAL  26          HG23      VAL  26  -7.334  39.077  -2.106
  228    HN1  NH2  27           HN1      NH2  27  -9.431  38.070  -1.136
  229    HN2  NH2  27           HN2      NH2  27 -11.033  37.939  -1.781
  Start of MODEL   14
    1    H1   ACE   1           H1       ACE   1   9.976   3.274  -2.621
    2    H2   ACE   1           H2       ACE   1   8.934   1.855  -2.358
    3    H3   ACE   1           H3       ACE   1   9.343   2.364  -4.014
    4    H    LYS   2           H        LYS   2   7.929   3.518  -5.029
    5    HA   LYS   2           HA       LYS   2   6.171   4.884  -5.502
    6    HB2  LYS   2           HB2      LYS   2   5.079   4.078  -2.807
    7    HB3  LYS   2           HB3      LYS   2   4.173   4.581  -4.229
    8    HG2  LYS   2           HG2      LYS   2   5.424   2.452  -5.252
    9    HG3  LYS   2           HG3      LYS   2   5.355   1.961  -3.558
   10    HD2  LYS   2           HD2      LYS   2   2.841   2.809  -3.841
   11    HD3  LYS   2           HD3      LYS   2   3.165   2.362  -5.518
   12    HE2  LYS   2           HE2      LYS   2   3.044   0.185  -5.051
   13    HE3  LYS   2           HE3      LYS   2   4.112   0.351  -3.658
   14    HZ1  LYS   2           HZ1      LYS   2   1.541  -0.309  -3.477
   15    HZ2  LYS   2           HZ2      LYS   2   1.418   1.369  -3.306
   16    HZ3  LYS   2           HZ3      LYS   2   2.388   0.480  -2.243
   17    H    ARG   3           H        ARG   3   7.524   6.756  -5.338
   18    HA   ARG   3           HA       ARG   3   7.102   8.336  -2.890
   19    HB2  ARG   3           HB2      ARG   3   9.456   7.764  -4.300
   20    HB3  ARG   3           HB3      ARG   3   9.082   9.438  -4.686
   21    HG2  ARG   3           HG2      ARG   3   9.252   8.342  -1.889
   22    HG3  ARG   3           HG3      ARG   3  10.573   9.159  -2.727
   23    HD2  ARG   3           HD2      ARG   3   9.192  11.164  -2.948
   24    HD3  ARG   3           HD3      ARG   3   7.867  10.346  -2.121
   25    HE   ARG   3           HE       ARG   3  10.268  10.379  -0.572
   26   HH11  ARG   3          HH11      ARG   3   7.518  13.246  -0.082
   27   HH12  ARG   3          HH12      ARG   3   7.488  12.256  -1.503
   28   HH21  ARG   3          HH21      ARG   3   9.128  12.917   1.513
   29   HH22  ARG   3          HH22      ARG   3  10.317  11.676   1.304
   30    H    ILE   4           H        ILE   4   5.432   7.970  -5.439
   31    HA   ILE   4           HA       ILE   4   4.904  10.827  -5.805
   32    HB   ILE   4           HB       ILE   4   4.993   8.925  -8.144
   33   HG12  ILE   4          HG12      ILE   4   6.994  10.614  -8.683
   34   HG13  ILE   4          HG13      ILE   4   7.091  10.652  -6.926
   35   HG21  ILE   4          HG21      ILE   4   4.521  11.875  -7.850
   36   HG22  ILE   4          HG22      ILE   4   5.009  11.154  -9.383
   37   HG23  ILE   4          HG23      ILE   4   3.495  10.666  -8.621
   38   HD11  ILE   4          HD11      ILE   4   8.228   8.783  -8.633
   39   HD12  ILE   4          HD12      ILE   4   8.107   8.688  -6.876
   40   HD13  ILE   4          HD13      ILE   4   6.865   7.948  -7.887
   41    H    GLY   5           H        GLY   5   2.950  10.881  -4.832
   42    HA2  GLY   5           HA2      GLY   5   0.697   9.822  -6.194
   43    HA3  GLY   5           HA3      GLY   5   1.036   8.870  -4.756
   44    H    VAL   6           H        VAL   6   0.091   9.501  -2.936
   45    HA   VAL   6           HA       VAL   6  -1.009  12.229  -2.823
   46    HB   VAL   6           HB       VAL   6  -2.583  10.236  -2.671
   47   HG11  VAL   6          HG11      VAL   6  -0.811   9.244  -0.896
   48   HG12  VAL   6          HG12      VAL   6  -1.980   9.982   0.201
   49   HG13  VAL   6          HG13      VAL   6  -2.507   8.766  -0.963
   50   HG21  VAL   6          HG21      VAL   6  -3.273  11.492  -0.223
   51   HG22  VAL   6          HG22      VAL   6  -2.530  12.706  -1.265
   52   HG23  VAL   6          HG23      VAL   6  -3.927  11.792  -1.833
   53    H    ARG   7           H        ARG   7   1.748  11.280  -2.086
   54    HA   ARG   7           HA       ARG   7   1.726  12.002   0.767
   55    HB2  ARG   7           HB2      ARG   7   3.689  10.420  -0.884
   56    HB3  ARG   7           HB3      ARG   7   4.092  11.045   0.709
   57    HG2  ARG   7           HG2      ARG   7   1.948   9.808   1.467
   58    HG3  ARG   7           HG3      ARG   7   2.136   8.920  -0.046
   59    HD2  ARG   7           HD2      ARG   7   4.056   7.887   0.638
   60    HD3  ARG   7           HD3      ARG   7   4.518   9.213   1.703
   61    HE   ARG   7           HE       ARG   7   3.013   6.902   2.408
   62   HH11  ARG   7          HH11      ARG   7   2.804  10.166   4.716
   63   HH12  ARG   7          HH12      ARG   7   3.402  10.293   3.095
   64   HH21  ARG   7          HH21      ARG   7   2.135   8.135   5.538
   65   HH22  ARG   7          HH22      ARG   7   2.224   6.723   4.541
   66    H    LEU   8           H        LEU   8   1.374  14.137  -0.765
   67    HA   LEU   8           HA       LEU   8   3.774  15.340  -1.715
   68    HB2  LEU   8           HB2      LEU   8   1.373  16.911  -0.876
   69    HB3  LEU   8           HB3      LEU   8   2.490  17.209  -2.207
   70    HG   LEU   8           HG       LEU   8   1.307  14.810  -2.891
   71   HD11  LEU   8          HD11      LEU   8  -1.036  16.495  -2.283
   72   HD12  LEU   8          HD12      LEU   8  -0.307  15.650  -0.918
   73   HD13  LEU   8          HD13      LEU   8  -0.873  14.739  -2.317
   74   HD21  LEU   8          HD21      LEU   8   0.548  17.618  -3.691
   75   HD22  LEU   8          HD22      LEU   8   0.142  16.153  -4.585
   76   HD23  LEU   8          HD23      LEU   8   1.829  16.636  -4.403
   77    HA   PRO   9           HA       PRO   9   5.519  17.002   1.955
   78    HB2  PRO   9           HB2      PRO   9   6.591  19.316   1.023
   79    HB3  PRO   9           HB3      PRO   9   7.268  17.726   0.652
   80    HG2  PRO   9           HG2      PRO   9   5.483  19.460  -1.011
   81    HG3  PRO   9           HG3      PRO   9   6.908  18.526  -1.501
   82    HD2  PRO   9           HD2      PRO   9   4.380  17.656  -1.927
   83    HD3  PRO   9           HD3      PRO   9   5.730  16.548  -1.611
   84    H    GLY  10           H        GLY  10   5.681  19.185   3.191
   85    HA2  GLY  10           HA2      GLY  10   3.132  20.652   2.952
   86    HA3  GLY  10           HA3      GLY  10   3.664  20.025   4.505
   87    H    HIS  11           H        HIS  11   6.194  21.101   2.503
   88    HA   HIS  11           HA       HIS  11   6.454  23.521   4.149
   89    HB2  HIS  11           HB2      HIS  11   8.869  23.429   3.287
   90    HB3  HIS  11           HB3      HIS  11   8.377  22.195   4.443
   91    HD1  HIS  11           HD1      HIS  11   9.512  22.665   0.943
   92    HD2  HIS  11           HD2      HIS  11   8.123  19.585   3.361
   93    HE1  HIS  11           HE1      HIS  11  10.039  20.543  -0.300
   94    H    GLN  12           H        GLN  12   6.965  22.385   0.813
   95    HA   GLN  12           HA       GLN  12   7.339  24.968  -0.280
   96    HB2  GLN  12           HB2      GLN  12   7.314  22.269  -1.224
   97    HB3  GLN  12           HB3      GLN  12   6.295  23.242  -2.276
   98    HG2  GLN  12           HG2      GLN  12   8.955  24.328  -1.555
   99    HG3  GLN  12           HG3      GLN  12   8.897  22.966  -2.673
  100   HE21  GLN  12          HE21      GLN  12   9.599  25.860  -2.986
  101   HE22  GLN  12          HE22      GLN  12   8.634  26.402  -4.312
  102    H    LYS  13           H        LYS  13   4.527  23.110   0.512
  103    HA   LYS  13           HA       LYS  13   2.650  24.367  -1.169
  104    HB2  LYS  13           HB2      LYS  13   2.568  22.676   1.250
  105    HB3  LYS  13           HB3      LYS  13   1.161  23.702   1.004
  106    HG2  LYS  13           HG2      LYS  13   1.206  22.736  -1.407
  107    HG3  LYS  13           HG3      LYS  13   2.188  21.462  -0.679
  108    HD2  LYS  13           HD2      LYS  13   0.275  20.478  -0.094
  109    HD3  LYS  13           HD3      LYS  13   0.066  21.779   1.081
  110    HE2  LYS  13           HE2      LYS  13  -1.840  22.217  -0.003
  111    HE3  LYS  13           HE3      LYS  13  -0.812  22.933  -1.243
  112    HZ1  LYS  13           HZ1      LYS  13  -2.447  20.619  -1.393
  113    HZ2  LYS  13           HZ2      LYS  13  -0.845  20.232  -1.773
  114    HZ3  LYS  13           HZ3      LYS  13  -1.650  21.445  -2.635
  115    H    ARG  14           H        ARG  14   3.885  25.182   2.031
  116    HA   ARG  14           HA       ARG  14   2.081  27.213   2.686
  117    HB2  ARG  14           HB2      ARG  14   4.259  26.083   3.897
  118    HB3  ARG  14           HB3      ARG  14   4.861  27.691   3.515
  119    HG2  ARG  14           HG2      ARG  14   2.283  27.198   4.980
  120    HG3  ARG  14           HG3      ARG  14   3.836  27.432   5.784
  121    HD2  ARG  14           HD2      ARG  14   2.400  29.383   3.991
  122    HD3  ARG  14           HD3      ARG  14   2.655  29.527   5.729
  123    HE   ARG  14           HE       ARG  14   4.546  30.118   3.639
  124   HH11  ARG  14          HH11      ARG  14   5.640  29.997   7.488
  125   HH12  ARG  14          HH12      ARG  14   4.125  29.313   7.000
  126   HH21  ARG  14          HH21      ARG  14   7.015  30.970   5.934
  127   HH22  ARG  14          HH22      ARG  14   6.543  31.022   4.269
  128    H    ILE  15           H        ILE  15   4.621  27.134   0.370
  129    HA   ILE  15           HA       ILE  15   4.853  30.019   0.184
  130    HB   ILE  15           HB       ILE  15   6.049  27.853  -1.549
  131   HG12  ILE  15          HG12      ILE  15   7.777  29.502   0.173
  132   HG13  ILE  15          HG13      ILE  15   6.678  28.439   1.046
  133   HG21  ILE  15          HG21      ILE  15   7.630  29.999  -1.922
  134   HG22  ILE  15          HG22      ILE  15   6.274  29.589  -2.972
  135   HG23  ILE  15          HG23      ILE  15   6.072  30.796  -1.703
  136   HD11  ILE  15          HD11      ILE  15   7.949  26.682   0.617
  137   HD12  ILE  15          HD12      ILE  15   7.948  27.030  -1.112
  138   HD13  ILE  15          HD13      ILE  15   9.145  27.787  -0.061
  139    H    ALA  16           H        ALA  16   3.568  27.350  -1.766
  140    HA   ALA  16           HA       ALA  16   2.692  28.956  -3.927
  141    HB1  ALA  16           HB1      ALA  16   2.049  27.020  -4.862
  142    HB2  ALA  16           HB2      ALA  16   2.924  26.285  -3.519
  143    HB3  ALA  16           HB3      ALA  16   1.176  26.495  -3.422
  144    H    TYR  17           H        TYR  17   1.408  28.340  -0.795
  145    HA   TYR  17           HA       TYR  17  -1.258  29.271  -1.546
  146    HB2  TYR  17           HB2      TYR  17  -1.001  27.302  -0.036
  147    HB3  TYR  17           HB3      TYR  17  -0.257  28.359   1.158
  148    HD1  TYR  17           HD1      TYR  17  -3.358  28.250  -0.935
  149    HD2  TYR  17           HD2      TYR  17  -1.619  29.131   2.846
  150    HE1  TYR  17           HE1      TYR  17  -5.584  28.801  -0.047
  151    HE2  TYR  17           HE2      TYR  17  -3.840  29.684   3.746
  152    HH   TYR  17           HH       TYR  17  -6.209  29.156   3.255
  153    H    SER  18           H        SER  18   1.638  30.336   0.027
  154    HA   SER  18           HA       SER  18   0.428  32.593   1.339
  155    HB2  SER  18           HB2      SER  18   3.243  31.626   0.948
  156    HB3  SER  18           HB3      SER  18   2.947  33.262   1.536
  157    HG   SER  18           HG       SER  18   2.649  32.393   3.413
  158    H    LEU  19           H        LEU  19   1.813  31.924  -1.761
  159    HA   LEU  19           HA       LEU  19   2.142  34.725  -2.441
  160    HB2  LEU  19           HB2      LEU  19   3.155  32.261  -3.398
  161    HB3  LEU  19           HB3      LEU  19   2.275  33.020  -4.724
  162    HG   LEU  19           HG       LEU  19   3.673  35.016  -4.510
  163   HD11  LEU  19          HD11      LEU  19   4.338  33.840  -1.995
  164   HD12  LEU  19          HD12      LEU  19   4.744  35.438  -2.618
  165   HD13  LEU  19          HD13      LEU  19   5.810  34.070  -2.939
  166   HD21  LEU  19          HD21      LEU  19   5.331  34.153  -5.775
  167   HD22  LEU  19          HD22      LEU  19   4.336  32.699  -5.699
  168   HD23  LEU  19          HD23      LEU  19   5.711  32.885  -4.609
  169    H    LEU  20           H        LEU  20   0.077  32.008  -3.424
  170    HA   LEU  20           HA       LEU  20  -1.487  33.523  -5.245
  171    HB2  LEU  20           HB2      LEU  20  -1.516  30.824  -4.105
  172    HB3  LEU  20           HB3      LEU  20  -3.111  31.461  -4.501
  173    HG   LEU  20           HG       LEU  20  -2.266  30.132  -6.333
  174   HD11  LEU  20          HD11      LEU  20  -2.008  32.990  -7.207
  175   HD12  LEU  20          HD12      LEU  20  -3.553  32.310  -6.698
  176   HD13  LEU  20          HD13      LEU  20  -2.699  31.622  -8.080
  177   HD21  LEU  20          HD21      LEU  20   0.206  31.370  -5.659
  178   HD22  LEU  20          HD22      LEU  20  -0.166  31.738  -7.343
  179   HD23  LEU  20          HD23      LEU  20  -0.100  30.061  -6.800
  180    H    GLY  21           H        GLY  21  -1.511  33.168  -1.821
  181    HA2  GLY  21           HA2      GLY  21  -4.254  33.878  -1.405
  182    HA3  GLY  21           HA3      GLY  21  -2.988  33.855  -0.187
  183    H    LEU  22           H        LEU  22  -1.222  35.669  -1.543
  184    HA   LEU  22           HA       LEU  22  -2.610  38.154  -0.893
  185    HB2  LEU  22           HB2      LEU  22  -0.146  37.257  -0.223
  186    HB3  LEU  22           HB3      LEU  22   0.237  38.231  -1.640
  187    HG   LEU  22           HG       LEU  22   0.545  39.560   0.335
  188   HD11  LEU  22          HD11      LEU  22  -2.002  40.340  -1.078
  189   HD12  LEU  22          HD12      LEU  22  -0.363  40.693  -1.624
  190   HD13  LEU  22          HD13      LEU  22  -0.970  41.414  -0.134
  191   HD21  LEU  22          HD21      LEU  22  -0.815  38.401   1.920
  192   HD22  LEU  22          HD22      LEU  22  -2.282  38.760   1.008
  193   HD23  LEU  22          HD23      LEU  22  -1.404  40.061   1.815
  194    H    LYS  23           H        LYS  23  -1.196  36.463  -3.585
  195    HA   LYS  23           HA       LYS  23  -1.183  38.743  -5.341
  196    HB2  LYS  23           HB2      LYS  23  -0.801  35.787  -5.815
  197    HB3  LYS  23           HB3      LYS  23  -0.744  36.980  -7.105
  198    HG2  LYS  23           HG2      LYS  23   0.994  37.411  -4.739
  199    HG3  LYS  23           HG3      LYS  23   1.436  36.137  -5.878
  200    HD2  LYS  23           HD2      LYS  23   2.453  37.772  -7.025
  201    HD3  LYS  23           HD3      LYS  23   0.827  38.222  -7.545
  202    HE2  LYS  23           HE2      LYS  23   0.655  39.831  -5.757
  203    HE3  LYS  23           HE3      LYS  23   2.203  39.313  -5.093
  204    HZ1  LYS  23           HZ1      LYS  23   2.420  40.075  -7.834
  205    HZ2  LYS  23           HZ2      LYS  23   3.290  40.628  -6.493
  206    HZ3  LYS  23           HZ3      LYS  23   1.805  41.336  -6.888
  207    H    ASP  24           H        ASP  24  -3.524  36.548  -4.243
  208    HA   ASP  24           HA       ASP  24  -5.188  36.420  -6.538
  209    HB2  ASP  24           HB2      ASP  24  -5.586  34.759  -4.922
  210    HB3  ASP  24           HB3      ASP  24  -5.641  35.928  -3.605
  211    H    GLN  25           H        GLN  25  -4.886  38.682  -3.877
  212    HA   GLN  25           HA       GLN  25  -7.292  40.113  -4.479
  213    HB2  GLN  25           HB2      GLN  25  -5.109  40.301  -2.529
  214    HB3  GLN  25           HB3      GLN  25  -5.749  41.861  -3.031
  215    HG2  GLN  25           HG2      GLN  25  -7.188  41.497  -1.349
  216    HG3  GLN  25           HG3      GLN  25  -8.047  40.564  -2.573
  217   HE21  GLN  25          HE21      GLN  25  -5.236  39.996  -0.478
  218   HE22  GLN  25          HE22      GLN  25  -5.795  38.487   0.149
  219    H    VAL  26           H        VAL  26  -4.271  39.963  -5.931
  220    HA   VAL  26           HA       VAL  26  -4.430  42.697  -6.982
  221    HB   VAL  26           HB       VAL  26  -2.213  40.683  -7.369
  222   HG11  VAL  26          HG11      VAL  26  -1.285  42.160  -8.744
  223   HG12  VAL  26          HG12      VAL  26  -2.773  43.105  -8.665
  224   HG13  VAL  26          HG13      VAL  26  -1.451  43.445  -7.548
  225   HG21  VAL  26          HG21      VAL  26  -0.994  42.049  -5.681
  226   HG22  VAL  26          HG22      VAL  26  -2.503  42.895  -5.340
  227   HG23  VAL  26          HG23      VAL  26  -2.371  41.165  -5.023
  228    HN1  NH2  27           HN1      NH2  27  -6.074  42.555  -8.495
  229    HN2  NH2  27           HN2      NH2  27  -5.958  41.597  -9.933
  Start of MODEL   15
    1    H1   ACE   1           H1       ACE   1   5.080  15.032  -4.197
    2    H2   ACE   1           H2       ACE   1   5.212  16.617  -4.997
    3    H3   ACE   1           H3       ACE   1   3.609  15.922  -4.658
    4    H    LYS   2           H        LYS   2   5.112  13.293  -5.381
    5    HA   LYS   2           HA       LYS   2   4.290  13.357  -8.170
    6    HB2  LYS   2           HB2      LYS   2   7.103  12.786  -7.262
    7    HB3  LYS   2           HB3      LYS   2   6.476  12.143  -8.773
    8    HG2  LYS   2           HG2      LYS   2   6.133  14.339  -9.647
    9    HG3  LYS   2           HG3      LYS   2   6.514  15.073  -8.088
   10    HD2  LYS   2           HD2      LYS   2   8.756  13.624  -8.511
   11    HD3  LYS   2           HD3      LYS   2   8.304  14.006 -10.174
   12    HE2  LYS   2           HE2      LYS   2   7.987  16.357  -8.617
   13    HE3  LYS   2           HE3      LYS   2   9.566  15.669  -8.240
   14    HZ1  LYS   2           HZ1      LYS   2   8.797  17.106 -10.518
   15    HZ2  LYS   2           HZ2      LYS   2   9.202  15.539 -11.007
   16    HZ3  LYS   2           HZ3      LYS   2  10.320  16.470 -10.144
   17    H    ARG   3           H        ARG   3   2.656  12.057  -6.936
   18    HA   ARG   3           HA       ARG   3   1.671  10.057  -6.484
   19    HB2  ARG   3           HB2      ARG   3   2.794   9.587  -8.757
   20    HB3  ARG   3           HB3      ARG   3   3.990   8.693  -7.828
   21    HG2  ARG   3           HG2      ARG   3   1.414   7.849  -6.989
   22    HG3  ARG   3           HG3      ARG   3   1.461   7.826  -8.753
   23    HD2  ARG   3           HD2      ARG   3   3.864   6.726  -8.161
   24    HD3  ARG   3           HD3      ARG   3   2.900   6.169  -6.794
   25    HE   ARG   3           HE       ARG   3   2.728   5.264  -9.492
   26   HH11  ARG   3          HH11      ARG   3  -0.320   4.612  -6.980
   27   HH12  ARG   3          HH12      ARG   3   0.874   5.807  -6.596
   28   HH21  ARG   3          HH21      ARG   3  -0.154   3.405  -8.920
   29   HH22  ARG   3          HH22      ARG   3   1.163   3.687 -10.008
   30    H    ILE   4           H        ILE   4   3.997  11.182  -4.828
   31    HA   ILE   4           HA       ILE   4   4.557   8.718  -3.309
   32    HB   ILE   4           HB       ILE   4   6.220  11.239  -3.392
   33   HG12  ILE   4          HG12      ILE   4   7.504   8.792  -4.280
   34   HG13  ILE   4          HG13      ILE   4   6.086   9.161  -5.256
   35   HG21  ILE   4          HG21      ILE   4   7.864   9.564  -2.252
   36   HG22  ILE   4          HG22      ILE   4   6.632  10.385  -1.295
   37   HG23  ILE   4          HG23      ILE   4   6.383   8.716  -1.808
   38   HD11  ILE   4          HD11      ILE   4   7.077  11.511  -5.454
   39   HD12  ILE   4          HD12      ILE   4   8.571  10.778  -4.868
   40   HD13  ILE   4          HD13      ILE   4   7.836  10.206  -6.366
   41    H    GLY   5           H        GLY   5   3.285  11.933  -3.238
   42    HA2  GLY   5           HA2      GLY   5   1.679  11.751  -1.087
   43    HA3  GLY   5           HA3      GLY   5   3.235  12.092  -0.344
   44    H    VAL   6           H        VAL   6   0.457  13.464  -1.483
   45    HA   VAL   6           HA       VAL   6   1.783  16.039  -2.026
   46    HB   VAL   6           HB       VAL   6  -1.009  15.220  -2.834
   47   HG11  VAL   6          HG11      VAL   6   0.673  17.631  -3.504
   48   HG12  VAL   6          HG12      VAL   6  -0.860  17.230  -4.281
   49   HG13  VAL   6          HG13      VAL   6  -0.815  17.603  -2.557
   50   HG21  VAL   6          HG21      VAL   6   0.091  13.967  -4.348
   51   HG22  VAL   6          HG22      VAL   6   0.341  15.514  -5.159
   52   HG23  VAL   6          HG23      VAL   6   1.606  14.843  -4.129
   53    H    ARG   7           H        ARG   7  -0.372  14.334   0.040
   54    HA   ARG   7           HA       ARG   7  -1.377  16.796   1.257
   55    HB2  ARG   7           HB2      ARG   7  -2.858  15.324   2.544
   56    HB3  ARG   7           HB3      ARG   7  -3.006  15.031   0.816
   57    HG2  ARG   7           HG2      ARG   7  -1.517  13.075   1.057
   58    HG3  ARG   7           HG3      ARG   7  -1.493  13.348   2.800
   59    HD2  ARG   7           HD2      ARG   7  -3.160  11.773   2.610
   60    HD3  ARG   7           HD3      ARG   7  -4.089  13.271   2.561
   61    HE   ARG   7           HE       ARG   7  -4.703  12.766   0.420
   62   HH11  ARG   7          HH11      ARG   7  -1.953   9.920  -0.185
   63   HH12  ARG   7          HH12      ARG   7  -1.914  10.862   1.269
   64   HH21  ARG   7          HH21      ARG   7  -3.574  10.303  -1.758
   65   HH22  ARG   7          HH22      ARG   7  -4.764  11.532  -1.497
   66    H    LEU   8           H        LEU   8   1.434  15.933   1.477
   67    HA   LEU   8           HA       LEU   8   1.621  15.362   4.352
   68    HB2  LEU   8           HB2      LEU   8   3.402  14.908   2.021
   69    HB3  LEU   8           HB3      LEU   8   4.160  15.213   3.582
   70    HG   LEU   8           HG       LEU   8   2.238  13.252   4.084
   71   HD11  LEU   8          HD11      LEU   8   3.766  12.609   1.566
   72   HD12  LEU   8          HD12      LEU   8   2.028  12.887   1.673
   73   HD13  LEU   8          HD13      LEU   8   2.750  11.497   2.483
   74   HD21  LEU   8          HD21      LEU   8   5.208  12.991   3.625
   75   HD22  LEU   8          HD22      LEU   8   4.190  11.832   4.479
   76   HD23  LEU   8          HD23      LEU   8   4.427  13.451   5.138
   77    HA   PRO   9           HA       PRO   9   3.055  19.377   5.387
   78    HB2  PRO   9           HB2      PRO   9   5.026  18.859   7.181
   79    HB3  PRO   9           HB3      PRO   9   3.311  18.630   7.545
   80    HG2  PRO   9           HG2      PRO   9   5.362  16.604   6.740
   81    HG3  PRO   9           HG3      PRO   9   4.108  16.491   7.988
   82    HD2  PRO   9           HD2      PRO   9   3.838  15.357   5.544
   83    HD3  PRO   9           HD3      PRO   9   2.456  15.991   6.460
   84    H    GLY  10           H        GLY  10   5.156  20.703   5.682
   85    HA2  GLY  10           HA2      GLY  10   7.632  20.229   4.804
   86    HA3  GLY  10           HA3      GLY  10   6.749  20.270   3.285
   87    H    HIS  11           H        HIS  11   8.471  22.089   5.468
   88    HA   HIS  11           HA       HIS  11   7.221  24.546   5.596
   89    HB2  HIS  11           HB2      HIS  11   9.570  25.498   5.669
   90    HB3  HIS  11           HB3      HIS  11   9.225  24.228   6.839
   91    HD1  HIS  11           HD1      HIS  11  10.373  21.921   6.455
   92    HD2  HIS  11           HD2      HIS  11  11.515  24.887   3.778
   93    HE1  HIS  11           HE1      HIS  11  12.432  21.039   5.311
   94    H    GLN  12           H        GLN  12   9.386  23.344   3.043
   95    HA   GLN  12           HA       GLN  12   9.412  25.606   1.432
   96    HB2  GLN  12           HB2      GLN  12   9.866  22.705   0.998
   97    HB3  GLN  12           HB3      GLN  12   9.581  23.684  -0.435
   98    HG2  GLN  12           HG2      GLN  12  11.573  24.641   1.548
   99    HG3  GLN  12           HG3      GLN  12  12.002  23.279   0.514
  100   HE21  GLN  12          HE21      GLN  12  10.980  23.827  -1.856
  101   HE22  GLN  12          HE22      GLN  12  11.595  25.310  -2.494
  102    H    LYS  13           H        LYS  13   6.919  23.256   1.934
  103    HA   LYS  13           HA       LYS  13   5.426  23.856  -0.434
  104    HB2  LYS  13           HB2      LYS  13   5.308  21.939   1.639
  105    HB3  LYS  13           HB3      LYS  13   3.776  22.802   1.671
  106    HG2  LYS  13           HG2      LYS  13   4.284  22.275  -1.028
  107    HG3  LYS  13           HG3      LYS  13   4.703  20.796  -0.159
  108    HD2  LYS  13           HD2      LYS  13   2.415  20.590  -0.678
  109    HD3  LYS  13           HD3      LYS  13   2.468  21.041   1.028
  110    HE2  LYS  13           HE2      LYS  13   1.890  23.295   0.530
  111    HE3  LYS  13           HE3      LYS  13   2.113  23.036  -1.199
  112    HZ1  LYS  13           HZ1      LYS  13  -0.251  22.926   0.054
  113    HZ2  LYS  13           HZ2      LYS  13   0.177  21.290   0.051
  114    HZ3  LYS  13           HZ3      LYS  13   0.084  22.143  -1.407
  115    H    ARG  14           H        ARG  14   5.444  25.006   2.885
  116    HA   ARG  14           HA       ARG  14   3.023  26.397   2.901
  117    HB2  ARG  14           HB2      ARG  14   4.249  26.042   4.946
  118    HB3  ARG  14           HB3      ARG  14   5.616  26.967   4.340
  119    HG2  ARG  14           HG2      ARG  14   3.121  28.470   4.339
  120    HG3  ARG  14           HG3      ARG  14   3.617  27.924   5.942
  121    HD2  ARG  14           HD2      ARG  14   5.470  29.236   5.964
  122    HD3  ARG  14           HD3      ARG  14   5.718  29.099   4.224
  123    HE   ARG  14           HE       ARG  14   4.561  31.044   3.969
  124   HH11  ARG  14          HH11      ARG  14   2.740  30.995   7.534
  125   HH12  ARG  14          HH12      ARG  14   3.717  29.650   7.046
  126   HH21  ARG  14          HH21      ARG  14   2.491  32.798   6.143
  127   HH22  ARG  14          HH22      ARG  14   3.278  32.821   4.601
  128    H    ILE  15           H        ILE  15   5.988  27.078   1.293
  129    HA   ILE  15           HA       ILE  15   5.394  29.891   0.906
  130    HB   ILE  15           HB       ILE  15   7.594  28.186  -0.268
  131   HG12  ILE  15          HG12      ILE  15   8.751  30.009   1.429
  132   HG13  ILE  15          HG13      ILE  15   7.262  29.611   2.279
  133   HG21  ILE  15          HG21      ILE  15   6.807  31.012  -0.644
  134   HG22  ILE  15          HG22      ILE  15   8.529  30.680  -0.466
  135   HG23  ILE  15          HG23      ILE  15   7.610  29.899  -1.752
  136   HD11  ILE  15          HD11      ILE  15   9.643  27.963   1.747
  137   HD12  ILE  15          HD12      ILE  15   8.550  27.976   3.131
  138   HD13  ILE  15          HD13      ILE  15   8.084  27.145   1.647
  139    H    ALA  16           H        ALA  16   5.504  26.928  -1.035
  140    HA   ALA  16           HA       ALA  16   4.805  28.156  -3.490
  141    HB1  ALA  16           HB1      ALA  16   5.124  25.421  -2.482
  142    HB2  ALA  16           HB2      ALA  16   3.964  25.592  -3.799
  143    HB3  ALA  16           HB3      ALA  16   5.628  26.135  -4.014
  144    H    TYR  17           H        TYR  17   2.977  27.231  -0.728
  145    HA   TYR  17           HA       TYR  17   0.453  27.289  -2.202
  146    HB2  TYR  17           HB2      TYR  17   0.826  25.504  -0.523
  147    HB3  TYR  17           HB3      TYR  17   0.959  26.733   0.729
  148    HD1  TYR  17           HD1      TYR  17  -1.347  25.093  -1.634
  149    HD2  TYR  17           HD2      TYR  17  -0.987  27.782   1.644
  150    HE1  TYR  17           HE1      TYR  17  -3.784  25.016  -1.310
  151    HE2  TYR  17           HE2      TYR  17  -3.423  27.711   1.977
  152    HH   TYR  17           HH       TYR  17  -5.471  25.535   0.111
  153    H    SER  18           H        SER  18   2.377  29.191  -0.028
  154    HA   SER  18           HA       SER  18   0.272  30.985   0.736
  155    HB2  SER  18           HB2      SER  18   3.246  30.914   1.109
  156    HB3  SER  18           HB3      SER  18   2.367  32.409   1.428
  157    HG   SER  18           HG       SER  18   2.617  30.972   3.268
  158    H    LEU  19           H        LEU  19   2.537  30.758  -1.877
  159    HA   LEU  19           HA       LEU  19   2.170  33.510  -2.708
  160    HB2  LEU  19           HB2      LEU  19   3.974  31.339  -3.323
  161    HB3  LEU  19           HB3      LEU  19   3.361  32.093  -4.793
  162    HG   LEU  19           HG       LEU  19   5.527  33.018  -4.023
  163   HD11  LEU  19          HD11      LEU  19   4.993  35.253  -4.496
  164   HD12  LEU  19          HD12      LEU  19   3.379  35.104  -3.803
  165   HD13  LEU  19          HD13      LEU  19   3.761  34.304  -5.327
  166   HD21  LEU  19          HD21      LEU  19   4.452  32.876  -1.519
  167   HD22  LEU  19          HD22      LEU  19   4.308  34.596  -1.881
  168   HD23  LEU  19          HD23      LEU  19   5.884  33.808  -1.958
  169    H    LEU  20           H        LEU  20   1.307  30.280  -3.911
  170    HA   LEU  20           HA       LEU  20  -0.158  31.242  -6.150
  171    HB2  LEU  20           HB2      LEU  20   0.370  28.658  -4.866
  172    HB3  LEU  20           HB3      LEU  20  -1.191  28.767  -5.677
  173    HG   LEU  20           HG       LEU  20   0.452  27.790  -7.156
  174   HD11  LEU  20          HD11      LEU  20  -1.307  29.518  -7.932
  175   HD12  LEU  20          HD12      LEU  20  -0.026  29.040  -9.045
  176   HD13  LEU  20          HD13      LEU  20   0.083  30.575  -8.184
  177   HD21  LEU  20          HD21      LEU  20   2.038  30.296  -7.299
  178   HD22  LEU  20          HD22      LEU  20   2.528  28.626  -7.586
  179   HD23  LEU  20          HD23      LEU  20   2.323  29.214  -5.936
  180    H    GLY  21           H        GLY  21  -0.882  30.874  -2.808
  181    HA2  GLY  21           HA2      GLY  21  -3.729  30.674  -3.083
  182    HA3  GLY  21           HA3      GLY  21  -2.847  31.030  -1.605
  183    H    LEU  22           H        LEU  22  -1.446  33.317  -2.746
  184    HA   LEU  22           HA       LEU  22  -3.645  35.239  -2.553
  185    HB2  LEU  22           HB2      LEU  22  -1.264  35.151  -1.265
  186    HB3  LEU  22           HB3      LEU  22  -0.869  36.215  -2.613
  187    HG   LEU  22           HG       LEU  22  -3.271  36.773  -0.918
  188   HD11  LEU  22          HD11      LEU  22  -0.633  37.981  -0.236
  189   HD12  LEU  22          HD12      LEU  22  -1.059  36.402   0.422
  190   HD13  LEU  22          HD13      LEU  22  -2.080  37.800   0.755
  191   HD21  LEU  22          HD21      LEU  22  -1.381  38.420  -2.587
  192   HD22  LEU  22          HD22      LEU  22  -2.615  39.113  -1.535
  193   HD23  LEU  22          HD23      LEU  22  -3.086  38.090  -2.893
  194    H    LYS  23           H        LYS  23  -1.161  34.110  -4.714
  195    HA   LYS  23           HA       LYS  23  -1.377  36.295  -6.561
  196    HB2  LYS  23           HB2      LYS  23  -0.100  33.568  -6.726
  197    HB3  LYS  23           HB3      LYS  23  -0.100  34.693  -8.078
  198    HG2  LYS  23           HG2      LYS  23   0.863  35.743  -5.491
  199    HG3  LYS  23           HG3      LYS  23   1.880  34.544  -6.294
  200    HD2  LYS  23           HD2      LYS  23   2.390  35.934  -8.017
  201    HD3  LYS  23           HD3      LYS  23   0.815  36.730  -7.982
  202    HE2  LYS  23           HE2      LYS  23   2.441  37.208  -5.598
  203    HE3  LYS  23           HE3      LYS  23   3.166  37.812  -7.087
  204    HZ1  LYS  23           HZ1      LYS  23   0.345  38.399  -6.716
  205    HZ2  LYS  23           HZ2      LYS  23   1.584  39.375  -7.328
  206    HZ3  LYS  23           HZ3      LYS  23   1.403  39.186  -5.656
  207    H    ASP  24           H        ASP  24  -3.198  33.488  -5.924
  208    HA   ASP  24           HA       ASP  24  -4.418  33.530  -8.594
  209    HB2  ASP  24           HB2      ASP  24  -3.580  31.363  -7.462
  210    HB3  ASP  24           HB3      ASP  24  -5.018  31.503  -6.454
  211    H    GLN  25           H        GLN  25  -5.010  34.241  -5.257
  212    HA   GLN  25           HA       GLN  25  -7.865  34.656  -5.777
  213    HB2  GLN  25           HB2      GLN  25  -6.646  33.488  -3.647
  214    HB3  GLN  25           HB3      GLN  25  -6.819  35.138  -3.062
  215    HG2  GLN  25           HG2      GLN  25  -9.286  34.545  -4.177
  216    HG3  GLN  25           HG3      GLN  25  -8.803  33.061  -3.357
  217   HE21  GLN  25          HE21      GLN  25  -7.505  33.871  -1.183
  218   HE22  GLN  25          HE22      GLN  25  -8.520  34.826  -0.163
  219    H    VAL  26           H        VAL  26  -5.608  36.403  -6.695
  220    HA   VAL  26           HA       VAL  26  -5.477  38.772  -5.218
  221    HB   VAL  26           HB       VAL  26  -4.949  39.858  -7.453
  222   HG11  VAL  26          HG11      VAL  26  -2.776  39.107  -7.374
  223   HG12  VAL  26          HG12      VAL  26  -3.365  38.602  -5.789
  224   HG13  VAL  26          HG13      VAL  26  -3.251  37.431  -7.103
  225   HG21  VAL  26          HG21      VAL  26  -4.868  37.068  -8.539
  226   HG22  VAL  26          HG22      VAL  26  -6.329  38.046  -8.672
  227   HG23  VAL  26          HG23      VAL  26  -4.826  38.603  -9.407
  228    HN1  NH2  27           HN1      NH2  27  -7.954  37.516  -7.331
  229    HN2  NH2  27           HN2      NH2  27  -9.024  38.875  -7.246
  Start of MODEL   16
    1    H1   ACE   1           H1       ACE   1  12.303   1.638  -5.007
    2    H2   ACE   1           H2       ACE   1  11.869   2.572  -6.458
    3    H3   ACE   1           H3       ACE   1  13.106   3.192  -5.338
    4    H    LYS   2           H        LYS   2  11.573   5.047  -5.592
    5    HA   LYS   2           HA       LYS   2   9.439   4.853  -3.568
    6    HB2  LYS   2           HB2      LYS   2  11.679   6.250  -3.174
    7    HB3  LYS   2           HB3      LYS   2  10.779   7.463  -4.075
    8    HG2  LYS   2           HG2      LYS   2   9.543   7.971  -2.306
    9    HG3  LYS   2           HG3      LYS   2   9.145   6.276  -2.015
   10    HD2  LYS   2           HD2      LYS   2  10.273   6.882  -0.078
   11    HD3  LYS   2           HD3      LYS   2  11.539   6.125  -1.047
   12    HE2  LYS   2           HE2      LYS   2  12.724   8.009  -1.100
   13    HE3  LYS   2           HE3      LYS   2  11.327   8.943  -1.632
   14    HZ1  LYS   2           HZ1      LYS   2  10.858   8.420   1.015
   15    HZ2  LYS   2           HZ2      LYS   2  11.378   9.889   0.360
   16    HZ3  LYS   2           HZ3      LYS   2  12.509   8.781   0.956
   17    H    ARG   3           H        ARG   3   8.770   4.318  -6.135
   18    HA   ARG   3           HA       ARG   3   7.695   6.795  -7.270
   19    HB2  ARG   3           HB2      ARG   3   8.795   4.489  -8.422
   20    HB3  ARG   3           HB3      ARG   3   7.075   4.406  -8.776
   21    HG2  ARG   3           HG2      ARG   3   8.818   6.787  -9.366
   22    HG3  ARG   3           HG3      ARG   3   8.409   5.528 -10.532
   23    HD2  ARG   3           HD2      ARG   3   6.041   6.057 -10.286
   24    HD3  ARG   3           HD3      ARG   3   6.433   7.292  -9.090
   25    HE   ARG   3           HE       ARG   3   7.859   7.915 -11.382
   26   HH11  ARG   3          HH11      ARG   3   3.956   8.788 -11.558
   27   HH12  ARG   3          HH12      ARG   3   4.527   7.611 -10.421
   28   HH21  ARG   3          HH21      ARG   3   5.432   9.842 -12.957
   29   HH22  ARG   3          HH22      ARG   3   7.120   9.466 -12.882
   30    H    ILE   4           H        ILE   4   6.699   5.173  -4.863
   31    HA   ILE   4           HA       ILE   4   3.882   5.250  -5.657
   32    HB   ILE   4           HB       ILE   4   5.001   2.974  -4.024
   33   HG12  ILE   4          HG12      ILE   4   4.189   1.751  -6.258
   34   HG13  ILE   4          HG13      ILE   4   4.637   3.301  -6.961
   35   HG21  ILE   4          HG21      ILE   4   2.293   3.718  -5.045
   36   HG22  ILE   4          HG22      ILE   4   2.702   2.024  -4.777
   37   HG23  ILE   4          HG23      ILE   4   2.775   3.171  -3.439
   38   HD11  ILE   4          HD11      ILE   4   6.700   2.505  -7.082
   39   HD12  ILE   4          HD12      ILE   4   6.773   2.664  -5.327
   40   HD13  ILE   4          HD13      ILE   4   6.306   1.127  -6.054
   41    H    GLY   5           H        GLY   5   3.518   7.092  -4.460
   42    HA2  GLY   5           HA2      GLY   5   2.526   7.163  -2.032
   43    HA3  GLY   5           HA3      GLY   5   4.231   7.065  -1.619
   44    H    VAL   6           H        VAL   6   1.722   9.145  -2.040
   45    HA   VAL   6           HA       VAL   6   3.546  11.419  -2.254
   46    HB   VAL   6           HB       VAL   6   1.029  11.243  -3.915
   47   HG11  VAL   6          HG11      VAL   6   1.287  13.491  -3.560
   48   HG12  VAL   6          HG12      VAL   6   3.039  13.375  -3.382
   49   HG13  VAL   6          HG13      VAL   6   2.305  13.281  -4.984
   50   HG21  VAL   6          HG21      VAL   6   2.511   9.795  -4.992
   51   HG22  VAL   6          HG22      VAL   6   2.750  11.333  -5.821
   52   HG23  VAL   6          HG23      VAL   6   3.913  10.794  -4.610
   53    H    ARG   7           H        ARG   7   3.024  11.410   0.057
   54    HA   ARG   7           HA       ARG   7   0.483  12.807   0.564
   55    HB2  ARG   7           HB2      ARG   7   1.703  10.500   2.028
   56    HB3  ARG   7           HB3      ARG   7   0.755  11.679   2.925
   57    HG2  ARG   7           HG2      ARG   7  -0.465  10.604   0.460
   58    HG3  ARG   7           HG3      ARG   7  -0.294   9.490   1.817
   59    HD2  ARG   7           HD2      ARG   7  -1.740  10.670   3.146
   60    HD3  ARG   7           HD3      ARG   7  -1.400  12.201   2.340
   61    HE   ARG   7           HE       ARG   7  -3.164  11.787   0.962
   62   HH11  ARG   7          HH11      ARG   7  -3.340   7.833   1.563
   63   HH12  ARG   7          HH12      ARG   7  -2.068   8.760   2.287
   64   HH21  ARG   7          HH21      ARG   7  -4.918   8.868   0.263
   65   HH22  ARG   7          HH22      ARG   7  -4.844  10.578   0.004
   66    H    LEU   8           H        LEU   8   2.383  14.453   0.047
   67    HA   LEU   8           HA       LEU   8   4.361  15.074   1.865
   68    HB2  LEU   8           HB2      LEU   8   3.905  17.494   1.111
   69    HB3  LEU   8           HB3      LEU   8   4.422  16.308  -0.085
   70    HG   LEU   8           HG       LEU   8   1.535  16.454   0.082
   71   HD11  LEU   8          HD11      LEU   8   1.464  18.678   0.553
   72   HD12  LEU   8          HD12      LEU   8   1.700  18.771  -1.192
   73   HD13  LEU   8          HD13      LEU   8   3.071  18.985  -0.105
   74   HD21  LEU   8          HD21      LEU   8   2.964  17.334  -2.334
   75   HD22  LEU   8          HD22      LEU   8   1.707  16.112  -2.136
   76   HD23  LEU   8          HD23      LEU   8   3.385  15.724  -1.750
   77    HA   PRO   9           HA       PRO   9   2.468  16.542   5.541
   78    HB2  PRO   9           HB2      PRO   9   4.138  18.557   6.262
   79    HB3  PRO   9           HB3      PRO   9   4.584  16.851   6.381
   80    HG2  PRO   9           HG2      PRO   9   5.276  18.847   4.260
   81    HG3  PRO   9           HG3      PRO   9   6.310  17.628   5.029
   82    HD2  PRO   9           HD2      PRO   9   5.208  17.269   2.581
   83    HD3  PRO   9           HD3      PRO   9   5.503  15.924   3.703
   84    H    GLY  10           H        GLY  10   3.083  18.830   2.966
   85    HA2  GLY  10           HA2      GLY  10   1.532  20.403   2.171
   86    HA3  GLY  10           HA3      GLY  10   0.636  20.248   3.675
   87    H    HIS  11           H        HIS  11   3.987  20.645   4.092
   88    HA   HIS  11           HA       HIS  11   3.636  23.156   5.397
   89    HB2  HIS  11           HB2      HIS  11   5.684  21.149   5.197
   90    HB3  HIS  11           HB3      HIS  11   6.390  22.738   4.919
   91    HD1  HIS  11           HD1      HIS  11   7.586  22.996   7.124
   92    HD2  HIS  11           HD2      HIS  11   3.554  22.098   7.569
   93    HE1  HIS  11           HE1      HIS  11   7.099  23.289   9.573
   94    H    GLN  12           H        GLN  12   4.412  22.202   2.183
   95    HA   GLN  12           HA       GLN  12   5.655  24.704   1.455
   96    HB2  GLN  12           HB2      GLN  12   4.929  22.186   0.017
   97    HB3  GLN  12           HB3      GLN  12   5.235  23.643  -0.920
   98    HG2  GLN  12           HG2      GLN  12   7.382  23.630   0.732
   99    HG3  GLN  12           HG3      GLN  12   7.093  21.902   0.531
  100   HE21  GLN  12          HE21      GLN  12   7.387  24.899  -1.331
  101   HE22  GLN  12          HE22      GLN  12   8.170  24.181  -2.694
  102    H    LYS  13           H        LYS  13   2.474  23.329   1.466
  103    HA   LYS  13           HA       LYS  13   1.235  24.955  -0.457
  104    HB2  LYS  13           HB2      LYS  13  -0.006  23.827   2.058
  105    HB3  LYS  13           HB3      LYS  13  -0.861  24.340   0.609
  106    HG2  LYS  13           HG2      LYS  13   1.065  22.433  -0.186
  107    HG3  LYS  13           HG3      LYS  13   0.234  21.791   1.233
  108    HD2  LYS  13           HD2      LYS  13  -1.932  22.401   0.079
  109    HD3  LYS  13           HD3      LYS  13  -0.973  22.701  -1.372
  110    HE2  LYS  13           HE2      LYS  13  -0.141  20.205  -0.431
  111    HE3  LYS  13           HE3      LYS  13  -1.896  20.205  -0.259
  112    HZ1  LYS  13           HZ1      LYS  13  -2.207  20.285  -2.480
  113    HZ2  LYS  13           HZ2      LYS  13  -0.684  19.552  -2.508
  114    HZ3  LYS  13           HZ3      LYS  13  -0.825  21.217  -2.773
  115    H    ARG  14           H        ARG  14   2.224  25.579   2.811
  116    HA   ARG  14           HA       ARG  14   0.579  27.791   3.374
  117    HB2  ARG  14           HB2      ARG  14   1.661  26.945   5.244
  118    HB3  ARG  14           HB3      ARG  14   3.205  26.804   4.414
  119    HG2  ARG  14           HG2      ARG  14   3.253  28.560   6.098
  120    HG3  ARG  14           HG3      ARG  14   3.479  29.220   4.477
  121    HD2  ARG  14           HD2      ARG  14   0.739  29.289   4.843
  122    HD3  ARG  14           HD3      ARG  14   1.384  29.731   6.424
  123    HE   ARG  14           HE       ARG  14   1.539  31.268   3.986
  124   HH11  ARG  14          HH11      ARG  14   3.503  32.345   7.304
  125   HH12  ARG  14          HH12      ARG  14   2.844  30.748   7.171
  126   HH21  ARG  14          HH21      ARG  14   3.250  33.838   5.585
  127   HH22  ARG  14          HH22      ARG  14   2.401  33.373   4.149
  128    H    ILE  15           H        ILE  15   3.711  27.522   1.768
  129    HA   ILE  15           HA       ILE  15   3.922  30.392   1.429
  130    HB   ILE  15           HB       ILE  15   5.656  28.158   0.368
  131   HG12  ILE  15          HG12      ILE  15   7.205  29.481   2.123
  132   HG13  ILE  15          HG13      ILE  15   5.634  29.776   2.859
  133   HG21  ILE  15          HG21      ILE  15   5.742  31.113   0.032
  134   HG22  ILE  15          HG22      ILE  15   7.264  30.237   0.192
  135   HG23  ILE  15          HG23      ILE  15   6.147  29.833  -1.111
  136   HD11  ILE  15          HD11      ILE  15   5.803  27.799   3.830
  137   HD12  ILE  15          HD12      ILE  15   5.672  27.055   2.236
  138   HD13  ILE  15          HD13      ILE  15   7.259  27.418   2.912
  139    H    ALA  16           H        ALA  16   2.792  27.648  -0.351
  140    HA   ALA  16           HA       ALA  16   2.808  29.023  -2.902
  141    HB1  ALA  16           HB1      ALA  16   1.217  26.590  -2.766
  142    HB2  ALA  16           HB2      ALA  16   2.588  26.993  -3.801
  143    HB3  ALA  16           HB3      ALA  16   2.864  26.370  -2.174
  144    H    TYR  17           H        TYR  17   0.817  28.951  -0.200
  145    HA   TYR  17           HA       TYR  17  -1.579  29.618  -1.769
  146    HB2  TYR  17           HB2      TYR  17  -1.731  27.776  -0.063
  147    HB3  TYR  17           HB3      TYR  17  -1.431  28.982   1.182
  148    HD1  TYR  17           HD1      TYR  17  -3.177  30.353   1.994
  149    HD2  TYR  17           HD2      TYR  17  -3.806  27.968  -1.473
  150    HE1  TYR  17           HE1      TYR  17  -5.582  30.858   2.091
  151    HE2  TYR  17           HE2      TYR  17  -6.213  28.468  -1.387
  152    HH   TYR  17           HH       TYR  17  -7.762  29.911  -0.474
  153    H    SER  18           H        SER  18   0.773  30.869   0.432
  154    HA   SER  18           HA       SER  18  -0.768  33.220   1.114
  155    HB2  SER  18           HB2      SER  18   0.651  32.590   2.862
  156    HB3  SER  18           HB3      SER  18   1.992  32.233   1.774
  157    HG   SER  18           HG       SER  18   2.634  34.163   2.299
  158    H    LEU  19           H        LEU  19   1.520  32.258  -1.286
  159    HA   LEU  19           HA       LEU  19   2.173  34.980  -2.051
  160    HB2  LEU  19           HB2      LEU  19   3.210  32.327  -2.580
  161    HB3  LEU  19           HB3      LEU  19   3.059  33.276  -4.057
  162    HG   LEU  19           HG       LEU  19   5.303  33.410  -3.050
  163   HD11  LEU  19          HD11      LEU  19   3.566  35.772  -3.470
  164   HD12  LEU  19          HD12      LEU  19   5.016  35.259  -4.333
  165   HD13  LEU  19          HD13      LEU  19   5.158  36.048  -2.762
  166   HD21  LEU  19          HD21      LEU  19   4.237  35.101  -0.846
  167   HD22  LEU  19          HD22      LEU  19   5.731  34.168  -0.934
  168   HD23  LEU  19          HD23      LEU  19   4.193  33.347  -0.663
  169    H    LEU  20           H        LEU  20   0.441  32.205  -3.440
  170    HA   LEU  20           HA       LEU  20  -0.396  33.589  -5.778
  171    HB2  LEU  20           HB2      LEU  20  -0.395  30.978  -4.938
  172    HB3  LEU  20           HB3      LEU  20  -2.108  31.390  -4.896
  173    HG   LEU  20           HG       LEU  20  -1.781  32.195  -7.308
  174   HD11  LEU  20          HD11      LEU  20   0.085  31.614  -8.495
  175   HD12  LEU  20          HD12      LEU  20   0.502  30.289  -7.409
  176   HD13  LEU  20          HD13      LEU  20   0.807  31.956  -6.922
  177   HD21  LEU  20          HD21      LEU  20  -2.341  29.661  -6.176
  178   HD22  LEU  20          HD22      LEU  20  -1.392  29.396  -7.639
  179   HD23  LEU  20          HD23      LEU  20  -2.893  30.320  -7.716
  180    H    GLY  21           H        GLY  21  -1.530  33.506  -2.535
  181    HA2  GLY  21           HA2      GLY  21  -4.246  34.243  -3.095
  182    HA3  GLY  21           HA3      GLY  21  -3.453  34.293  -1.527
  183    H    LEU  22           H        LEU  22  -1.274  35.992  -2.422
  184    HA   LEU  22           HA       LEU  22  -2.731  38.529  -2.395
  185    HB2  LEU  22           HB2      LEU  22  -0.656  37.665  -0.884
  186    HB3  LEU  22           HB3      LEU  22   0.201  38.541  -2.150
  187    HG   LEU  22           HG       LEU  22  -0.135  39.993  -0.264
  188   HD11  LEU  22          HD11      LEU  22  -2.205  40.937  -2.195
  189   HD12  LEU  22          HD12      LEU  22  -0.534  40.746  -2.726
  190   HD13  LEU  22          HD13      LEU  22  -0.917  41.838  -1.394
  191   HD21  LEU  22          HD21      LEU  22  -2.226  38.654   0.468
  192   HD22  LEU  22          HD22      LEU  22  -3.107  39.786  -0.558
  193   HD23  LEU  22          HD23      LEU  22  -2.155  40.384   0.802
  194    H    LYS  23           H        LYS  23  -0.561  36.637  -4.345
  195    HA   LYS  23           HA       LYS  23   0.117  38.784  -6.137
  196    HB2  LYS  23           HB2      LYS  23   0.524  35.796  -6.263
  197    HB3  LYS  23           HB3      LYS  23   1.043  36.887  -7.542
  198    HG2  LYS  23           HG2      LYS  23   1.930  37.257  -4.702
  199    HG3  LYS  23           HG3      LYS  23   2.772  36.172  -5.811
  200    HD2  LYS  23           HD2      LYS  23   3.324  37.952  -7.276
  201    HD3  LYS  23           HD3      LYS  23   2.217  39.059  -6.460
  202    HE2  LYS  23           HE2      LYS  23   4.204  39.740  -5.555
  203    HE3  LYS  23           HE3      LYS  23   3.737  38.511  -4.381
  204    HZ1  LYS  23           HZ1      LYS  23   5.148  37.253  -6.439
  205    HZ2  LYS  23           HZ2      LYS  23   5.607  37.441  -4.822
  206    HZ3  LYS  23           HZ3      LYS  23   6.044  38.608  -5.966
  207    H    ASP  24           H        ASP  24  -2.535  36.703  -5.748
  208    HA   ASP  24           HA       ASP  24  -3.341  36.510  -8.479
  209    HB2  ASP  24           HB2      ASP  24  -4.202  34.852  -7.019
  210    HB3  ASP  24           HB3      ASP  24  -4.766  36.055  -5.862
  211    H    GLN  25           H        GLN  25  -3.885  38.799  -5.891
  212    HA   GLN  25           HA       GLN  25  -5.796  40.291  -7.528
  213    HB2  GLN  25           HB2      GLN  25  -5.501  39.868  -4.744
  214    HB3  GLN  25           HB3      GLN  25  -5.213  41.578  -5.034
  215    HG2  GLN  25           HG2      GLN  25  -7.517  40.614  -6.493
  216    HG3  GLN  25           HG3      GLN  25  -7.664  40.331  -4.759
  217   HE21  GLN  25          HE21      GLN  25  -8.070  42.006  -3.432
  218   HE22  GLN  25          HE22      GLN  25  -8.249  43.644  -3.952
  219    H    VAL  26           H        VAL  26  -2.872  40.099  -8.080
  220    HA   VAL  26           HA       VAL  26  -2.388  42.982  -8.285
  221    HB   VAL  26           HB       VAL  26  -0.295  41.013  -7.349
  222   HG11  VAL  26          HG11      VAL  26  -0.172  43.964  -7.939
  223   HG12  VAL  26          HG12      VAL  26   1.068  43.093  -7.035
  224   HG13  VAL  26          HG13      VAL  26   0.739  42.670  -8.716
  225   HG21  VAL  26          HG21      VAL  26  -1.917  41.548  -5.600
  226   HG22  VAL  26          HG22      VAL  26  -0.341  42.256  -5.246
  227   HG23  VAL  26          HG23      VAL  26  -1.644  43.269  -5.867
  228    HN1  NH2  27           HN1      NH2  27  -1.257  43.640 -10.104
  229    HN2  NH2  27           HN2      NH2  27  -0.839  42.566 -11.397
  Start of MODEL   17
    1    H1   ACE   1           H1       ACE   1  -1.505   8.684  -0.074
    2    H2   ACE   1           H2       ACE   1  -2.139  10.301   0.316
    3    H3   ACE   1           H3       ACE   1  -2.853   9.362  -1.018
    4    H    LYS   2           H        LYS   2  -0.121  11.207   0.076
    5    HA   LYS   2           HA       LYS   2   1.555  10.965  -2.144
    6    HB2  LYS   2           HB2      LYS   2   1.018  13.227  -3.201
    7    HB3  LYS   2           HB3      LYS   2  -0.079  11.899  -3.560
    8    HG2  LYS   2           HG2      LYS   2  -1.711  12.737  -2.041
    9    HG3  LYS   2           HG3      LYS   2  -0.587  13.944  -1.412
   10    HD2  LYS   2           HD2      LYS   2  -0.850  15.319  -3.206
   11    HD3  LYS   2           HD3      LYS   2  -1.118  13.983  -4.328
   12    HE2  LYS   2           HE2      LYS   2  -3.220  14.893  -4.248
   13    HE3  LYS   2           HE3      LYS   2  -3.338  13.698  -2.958
   14    HZ1  LYS   2           HZ1      LYS   2  -2.350  16.247  -2.071
   15    HZ2  LYS   2           HZ2      LYS   2  -3.579  15.280  -1.426
   16    HZ3  LYS   2           HZ3      LYS   2  -3.915  16.328  -2.711
   17    H    ARG   3           H        ARG   3   0.251  13.038   0.369
   18    HA   ARG   3           HA       ARG   3   2.812  14.428   0.625
   19    HB2  ARG   3           HB2      ARG   3   0.217  15.315   0.865
   20    HB3  ARG   3           HB3      ARG   3   0.705  15.110   2.542
   21    HG2  ARG   3           HG2      ARG   3   2.234  16.714   0.505
   22    HG3  ARG   3           HG3      ARG   3   1.088  17.388   1.665
   23    HD2  ARG   3           HD2      ARG   3   2.464  16.493   3.503
   24    HD3  ARG   3           HD3      ARG   3   3.622  15.889   2.319
   25    HE   ARG   3           HE       ARG   3   4.425  18.024   2.051
   26   HH11  ARG   3          HH11      ARG   3   1.578  19.790   4.242
   27   HH12  ARG   3          HH12      ARG   3   1.430  18.116   3.823
   28   HH21  ARG   3          HH21      ARG   3   3.399  20.992   3.544
   29   HH22  ARG   3          HH22      ARG   3   4.631  20.230   2.597
   30    H    ILE   4           H        ILE   4   2.084  11.559   1.454
   31    HA   ILE   4           HA       ILE   4   2.984  11.778   4.252
   32    HB   ILE   4           HB       ILE   4   1.507   9.435   3.058
   33   HG12  ILE   4          HG12      ILE   4   0.071  11.431   3.041
   34   HG13  ILE   4          HG13      ILE   4  -0.481  10.258   4.233
   35   HG21  ILE   4          HG21      ILE   4   2.068   8.410   4.943
   36   HG22  ILE   4          HG22      ILE   4   2.910   9.853   5.504
   37   HG23  ILE   4          HG23      ILE   4   1.195   9.641   5.855
   38   HD11  ILE   4          HD11      ILE   4  -0.324  11.756   5.849
   39   HD12  ILE   4          HD12      ILE   4   1.356  12.102   5.435
   40   HD13  ILE   4          HD13      ILE   4   0.052  12.967   4.623
   41    H    GLY   5           H        GLY   5   3.587  10.448   1.119
   42    HA2  GLY   5           HA2      GLY   5   5.764   8.779   2.191
   43    HA3  GLY   5           HA3      GLY   5   5.047   8.612   0.595
   44    H    VAL   6           H        VAL   6   6.373   9.202  -0.973
   45    HA   VAL   6           HA       VAL   6   8.120  11.532  -0.531
   46    HB   VAL   6           HB       VAL   6   9.328   9.294  -0.492
   47   HG11  VAL   6          HG11      VAL   6   7.840   8.682  -2.648
   48   HG12  VAL   6          HG12      VAL   6   9.310   9.252  -3.441
   49   HG13  VAL   6          HG13      VAL   6   9.388   7.922  -2.285
   50   HG21  VAL   6          HG21      VAL   6  11.125  10.496  -1.018
   51   HG22  VAL   6          HG22      VAL   6  10.638  10.591  -2.710
   52   HG23  VAL   6          HG23      VAL   6  10.036  11.777  -1.552
   53    H    ARG   7           H        ARG   7   5.467  11.121  -1.886
   54    HA   ARG   7           HA       ARG   7   6.241  12.006  -4.587
   55    HB2  ARG   7           HB2      ARG   7   3.891  10.423  -3.601
   56    HB3  ARG   7           HB3      ARG   7   3.770  11.354  -5.088
   57    HG2  ARG   7           HG2      ARG   7   5.912  10.102  -5.785
   58    HG3  ARG   7           HG3      ARG   7   5.495   8.988  -4.481
   59    HD2  ARG   7           HD2      ARG   7   3.118   9.134  -5.698
   60    HD3  ARG   7           HD3      ARG   7   4.161   9.466  -7.080
   61    HE   ARG   7           HE       ARG   7   4.793   7.272  -7.071
   62   HH11  ARG   7          HH11      ARG   7   3.406   6.411  -3.416
   63   HH12  ARG   7          HH12      ARG   7   3.381   8.047  -3.985
   64   HH21  ARG   7          HH21      ARG   7   4.232   4.743  -4.752
   65   HH22  ARG   7          HH22      ARG   7   4.832   5.114  -6.333
   66    H    LEU   8           H        LEU   8   6.358  13.902  -2.670
   67    HA   LEU   8           HA       LEU   8   3.974  15.294  -2.136
   68    HB2  LEU   8           HB2      LEU   8   6.872  15.935  -2.071
   69    HB3  LEU   8           HB3      LEU   8   5.735  17.281  -2.042
   70    HG   LEU   8           HG       LEU   8   4.676  16.225  -0.030
   71   HD11  LEU   8          HD11      LEU   8   5.812  14.502   1.157
   72   HD12  LEU   8          HD12      LEU   8   7.162  14.529   0.023
   73   HD13  LEU   8          HD13      LEU   8   5.584  13.942  -0.500
   74   HD21  LEU   8          HD21      LEU   8   6.443  18.060  -0.032
   75   HD22  LEU   8          HD22      LEU   8   7.590  16.799   0.419
   76   HD23  LEU   8          HD23      LEU   8   6.220  17.161   1.470
   77    HA   PRO   9           HA       PRO   9   2.996  17.463  -5.822
   78    HB2  PRO   9           HB2      PRO   9   2.283  19.914  -4.897
   79    HB3  PRO   9           HB3      PRO   9   1.286  18.473  -4.667
   80    HG2  PRO   9           HG2      PRO   9   3.177  19.791  -2.758
   81    HG3  PRO   9           HG3      PRO   9   1.558  19.134  -2.454
   82    HD2  PRO   9           HD2      PRO   9   3.820  17.787  -1.820
   83    HD3  PRO   9           HD3      PRO   9   2.327  16.965  -2.318
   84    H    GLY  10           H        GLY  10   5.371  18.891  -3.685
   85    HA2  GLY  10           HA2      GLY  10   7.442  19.415  -5.150
   86    HA3  GLY  10           HA3      GLY  10   6.357  20.597  -5.867
   87    H    HIS  11           H        HIS  11   8.756  20.204  -3.657
   88    HA   HIS  11           HA       HIS  11   8.040  21.629  -1.406
   89    HB2  HIS  11           HB2      HIS  11  10.493  22.334  -1.358
   90    HB3  HIS  11           HB3      HIS  11  10.171  20.603  -1.412
   91    HD1  HIS  11           HD1      HIS  11  11.637  23.395  -3.393
   92    HD2  HIS  11           HD2      HIS  11  10.908  19.326  -3.812
   93    HE1  HIS  11           HE1      HIS  11  12.952  22.680  -5.415
   94    H    GLN  12           H        GLN  12   9.359  22.915  -4.451
   95    HA   GLN  12           HA       GLN  12   9.141  25.637  -3.618
   96    HB2  GLN  12           HB2      GLN  12  10.176  24.193  -5.883
   97    HB3  GLN  12           HB3      GLN  12   9.194  25.543  -6.434
   98    HG2  GLN  12           HG2      GLN  12  10.641  26.775  -4.540
   99    HG3  GLN  12           HG3      GLN  12  11.783  25.526  -5.033
  100   HE21  GLN  12          HE21      GLN  12  12.902  25.795  -6.858
  101   HE22  GLN  12          HE22      GLN  12  12.664  27.079  -7.988
  102    H    LYS  13           H        LYS  13   7.020  23.361  -5.138
  103    HA   LYS  13           HA       LYS  13   5.212  25.236  -6.284
  104    HB2  LYS  13           HB2      LYS  13   5.408  22.356  -5.997
  105    HB3  LYS  13           HB3      LYS  13   3.762  22.914  -5.731
  106    HG2  LYS  13           HG2      LYS  13   4.000  24.191  -7.911
  107    HG3  LYS  13           HG3      LYS  13   5.466  23.245  -8.179
  108    HD2  LYS  13           HD2      LYS  13   4.127  21.715  -9.108
  109    HD3  LYS  13           HD3      LYS  13   3.610  21.338  -7.462
  110    HE2  LYS  13           HE2      LYS  13   2.011  23.431  -7.966
  111    HE3  LYS  13           HE3      LYS  13   2.214  22.822  -9.607
  112    HZ1  LYS  13           HZ1      LYS  13   0.796  21.197  -9.177
  113    HZ2  LYS  13           HZ2      LYS  13   0.512  21.855  -7.645
  114    HZ3  LYS  13           HZ3      LYS  13   1.707  20.675  -7.849
  115    H    ARG  14           H        ARG  14   5.308  23.484  -3.209
  116    HA   ARG  14           HA       ARG  14   2.813  24.254  -2.221
  117    HB2  ARG  14           HB2      ARG  14   4.878  22.720  -1.295
  118    HB3  ARG  14           HB3      ARG  14   4.966  24.110  -0.222
  119    HG2  ARG  14           HG2      ARG  14   2.556  22.365  -0.681
  120    HG3  ARG  14           HG3      ARG  14   3.593  22.370   0.747
  121    HD2  ARG  14           HD2      ARG  14   1.890  24.659  -0.233
  122    HD3  ARG  14           HD3      ARG  14   1.549  23.627   1.155
  123    HE   ARG  14           HE       ARG  14   4.087  24.984   1.282
  124   HH11  ARG  14          HH11      ARG  14   0.882  26.325   3.271
  125   HH12  ARG  14          HH12      ARG  14   0.687  25.152   2.010
  126   HH21  ARG  14          HH21      ARG  14   2.969  27.107   3.798
  127   HH22  ARG  14          HH22      ARG  14   4.356  26.528   2.939
  128    H    ILE  15           H        ILE  15   5.714  26.060  -2.628
  129    HA   ILE  15           HA       ILE  15   4.955  28.137  -0.752
  130    HB   ILE  15           HB       ILE  15   7.230  28.034  -2.735
  131   HG12  ILE  15          HG12      ILE  15   7.578  27.900   0.229
  132   HG13  ILE  15          HG13      ILE  15   7.046  26.451  -0.618
  133   HG21  ILE  15          HG21      ILE  15   8.145  29.925  -1.434
  134   HG22  ILE  15          HG22      ILE  15   6.640  30.324  -2.260
  135   HG23  ILE  15          HG23      ILE  15   6.635  29.998  -0.527
  136   HD11  ILE  15          HD11      ILE  15   9.417  27.908  -1.654
  137   HD12  ILE  15          HD12      ILE  15   9.586  26.931  -0.196
  138   HD13  ILE  15          HD13      ILE  15   9.036  26.187  -1.697
  139    H    ALA  16           H        ALA  16   5.199  27.720  -4.262
  140    HA   ALA  16           HA       ALA  16   4.393  30.354  -4.928
  141    HB1  ALA  16           HB1      ALA  16   5.387  29.436  -6.740
  142    HB2  ALA  16           HB2      ALA  16   4.795  27.814  -6.381
  143    HB3  ALA  16           HB3      ALA  16   3.726  28.995  -7.138
  144    H    TYR  17           H        TYR  17   2.666  27.555  -3.921
  145    HA   TYR  17           HA       TYR  17   0.120  28.595  -4.911
  146    HB2  TYR  17           HB2      TYR  17   1.081  26.027  -4.673
  147    HB3  TYR  17           HB3      TYR  17   0.038  26.172  -3.263
  148    HD1  TYR  17           HD1      TYR  17  -2.282  25.951  -3.479
  149    HD2  TYR  17           HD2      TYR  17   0.080  26.613  -6.955
  150    HE1  TYR  17           HE1      TYR  17  -4.254  25.538  -4.889
  151    HE2  TYR  17           HE2      TYR  17  -1.886  26.204  -8.376
  152    HH   TYR  17           HH       TYR  17  -4.520  26.420  -7.981
  153    H    SER  18           H        SER  18   1.987  28.323  -2.015
  154    HA   SER  18           HA       SER  18  -0.234  28.804  -0.234
  155    HB2  SER  18           HB2      SER  18   1.655  27.470   0.550
  156    HB3  SER  18           HB3      SER  18   2.754  28.819   0.264
  157    HG   SER  18           HG       SER  18   2.268  29.451   2.196
  158    H    LEU  19           H        LEU  19   2.035  30.682  -2.026
  159    HA   LEU  19           HA       LEU  19   1.613  33.078  -0.440
  160    HB2  LEU  19           HB2      LEU  19   3.443  32.213  -2.556
  161    HB3  LEU  19           HB3      LEU  19   2.916  33.889  -2.702
  162    HG   LEU  19           HG       LEU  19   3.703  34.237  -0.340
  163   HD11  LEU  19          HD11      LEU  19   3.832  31.500  -0.264
  164   HD12  LEU  19          HD12      LEU  19   4.588  32.598   0.890
  165   HD13  LEU  19          HD13      LEU  19   5.522  31.962  -0.463
  166   HD21  LEU  19          HD21      LEU  19   6.038  33.321  -1.935
  167   HD22  LEU  19          HD22      LEU  19   5.788  34.829  -1.055
  168   HD23  LEU  19          HD23      LEU  19   5.003  34.578  -2.615
  169    H    LEU  20           H        LEU  20   0.806  31.848  -3.662
  170    HA   LEU  20           HA       LEU  20  -0.673  34.209  -4.376
  171    HB2  LEU  20           HB2      LEU  20   0.465  32.110  -5.762
  172    HB3  LEU  20           HB3      LEU  20  -1.266  31.812  -5.916
  173    HG   LEU  20           HG       LEU  20  -1.433  34.226  -6.736
  174   HD11  LEU  20          HD11      LEU  20   0.388  35.475  -7.034
  175   HD12  LEU  20          HD12      LEU  20   1.294  34.140  -7.746
  176   HD13  LEU  20          HD13      LEU  20   1.213  34.314  -5.993
  177   HD21  LEU  20          HD21      LEU  20  -1.315  33.495  -8.897
  178   HD22  LEU  20          HD22      LEU  20  -1.322  31.943  -8.059
  179   HD23  LEU  20          HD23      LEU  20   0.198  32.626  -8.640
  180    H    GLY  21           H        GLY  21  -1.312  31.753  -2.287
  181    HA2  GLY  21           HA2      GLY  21  -4.192  31.693  -2.898
  182    HA3  GLY  21           HA3      GLY  21  -3.344  30.533  -1.886
  183    H    LEU  22           H        LEU  22  -1.908  32.979  -0.685
  184    HA   LEU  22           HA       LEU  22  -4.089  33.713   1.156
  185    HB2  LEU  22           HB2      LEU  22  -1.755  32.386   1.742
  186    HB3  LEU  22           HB3      LEU  22  -1.368  34.054   2.157
  187    HG   LEU  22           HG       LEU  22  -3.765  33.760   3.394
  188   HD11  LEU  22          HD11      LEU  22  -4.013  31.434   2.868
  189   HD12  LEU  22          HD12      LEU  22  -3.653  31.586   4.587
  190   HD13  LEU  22          HD13      LEU  22  -2.391  31.079   3.464
  191   HD21  LEU  22          HD21      LEU  22  -0.932  33.607   4.185
  192   HD22  LEU  22          HD22      LEU  22  -2.091  33.001   5.368
  193   HD23  LEU  22          HD23      LEU  22  -2.222  34.656   4.771
  194    H    LYS  23           H        LYS  23  -1.539  34.836  -0.886
  195    HA   LYS  23           HA       LYS  23  -1.839  37.583   0.092
  196    HB2  LYS  23           HB2      LYS  23   0.405  36.211  -0.608
  197    HB3  LYS  23           HB3      LYS  23   0.045  37.045  -2.114
  198    HG2  LYS  23           HG2      LYS  23   0.944  38.898  -1.313
  199    HG3  LYS  23           HG3      LYS  23  -0.223  38.908   0.011
  200    HD2  LYS  23           HD2      LYS  23   2.279  37.239   0.070
  201    HD3  LYS  23           HD3      LYS  23   2.234  38.903   0.657
  202    HE2  LYS  23           HE2      LYS  23   0.058  37.262   1.691
  203    HE3  LYS  23           HE3      LYS  23   1.652  36.647   2.126
  204    HZ1  LYS  23           HZ1      LYS  23   2.181  38.591   3.250
  205    HZ2  LYS  23           HZ2      LYS  23   0.560  38.345   3.663
  206    HZ3  LYS  23           HZ3      LYS  23   0.969  39.496   2.492
  207    H    ASP  24           H        ASP  24  -3.308  35.628  -2.068
  208    HA   ASP  24           HA       ASP  24  -3.862  37.850  -3.925
  209    HB2  ASP  24           HB2      ASP  24  -2.724  35.533  -4.675
  210    HB3  ASP  24           HB3      ASP  24  -4.419  35.067  -4.797
  211    H    GLN  25           H        GLN  25  -5.165  35.261  -1.975
  212    HA   GLN  25           HA       GLN  25  -7.875  35.619  -2.844
  213    HB2  GLN  25           HB2      GLN  25  -6.876  33.491  -1.875
  214    HB3  GLN  25           HB3      GLN  25  -6.965  34.274  -0.303
  215    HG2  GLN  25           HG2      GLN  25  -9.161  33.930  -0.122
  216    HG3  GLN  25           HG3      GLN  25  -9.466  34.370  -1.801
  217   HE21  GLN  25          HE21      GLN  25  -7.663  31.790  -0.155
  218   HE22  GLN  25          HE22      GLN  25  -8.393  30.490  -1.029
  219    H    VAL  26           H        VAL  26  -5.834  37.356  -0.826
  220    HA   VAL  26           HA       VAL  26  -8.003  38.368   0.859
  221    HB   VAL  26           HB       VAL  26  -5.841  37.772   1.926
  222   HG11  VAL  26          HG11      VAL  26  -4.399  38.469   0.039
  223   HG12  VAL  26          HG12      VAL  26  -4.747  40.154   0.434
  224   HG13  VAL  26          HG13      VAL  26  -3.883  39.137   1.588
  225   HG21  VAL  26          HG21      VAL  26  -7.381  39.435   2.911
  226   HG22  VAL  26          HG22      VAL  26  -5.693  39.740   3.322
  227   HG23  VAL  26          HG23      VAL  26  -6.489  40.714   2.086
  228    HN1  NH2  27           HN1      NH2  27  -5.981  39.243  -1.839
  229    HN2  NH2  27           HN2      NH2  27  -6.580  40.855  -2.051
  Start of MODEL   18
    1    H1   ACE   1           H1       ACE   1   6.557  20.164   0.233
    2    H2   ACE   1           H2       ACE   1   7.646  19.208  -0.800
    3    H3   ACE   1           H3       ACE   1   5.999  18.624  -0.464
    4    H    LYS   2           H        LYS   2   8.355  20.070   1.708
    5    HA   LYS   2           HA       LYS   2   9.331  19.335   3.626
    6    HB2  LYS   2           HB2      LYS   2   6.728  17.915   3.558
    7    HB3  LYS   2           HB3      LYS   2   7.932  17.290   4.677
    8    HG2  LYS   2           HG2      LYS   2   8.025  19.992   5.140
    9    HG3  LYS   2           HG3      LYS   2   6.312  19.701   4.827
   10    HD2  LYS   2           HD2      LYS   2   6.270  19.185   7.023
   11    HD3  LYS   2           HD3      LYS   2   6.869  17.623   6.460
   12    HE2  LYS   2           HE2      LYS   2   8.335  18.175   8.179
   13    HE3  LYS   2           HE3      LYS   2   9.207  18.666   6.728
   14    HZ1  LYS   2           HZ1      LYS   2   9.461  20.509   8.022
   15    HZ2  LYS   2           HZ2      LYS   2   7.973  20.325   8.804
   16    HZ3  LYS   2           HZ3      LYS   2   8.029  20.930   7.226
   17    H    ARG   3           H        ARG   3   9.775  17.965   0.938
   18    HA   ARG   3           HA       ARG   3  11.117  16.327   0.107
   19    HB2  ARG   3           HB2      ARG   3  12.522  17.166   2.095
   20    HB3  ARG   3           HB3      ARG   3  11.983  15.710   2.922
   21    HG2  ARG   3           HG2      ARG   3  12.908  14.884   0.403
   22    HG3  ARG   3           HG3      ARG   3  14.092  16.037   1.021
   23    HD2  ARG   3           HD2      ARG   3  13.649  14.579   3.241
   24    HD3  ARG   3           HD3      ARG   3  13.353  13.356   2.007
   25    HE   ARG   3           HE       ARG   3  15.715  14.553   1.289
   26   HH11  ARG   3          HH11      ARG   3  16.061  12.236   4.534
   27   HH12  ARG   3          HH12      ARG   3  14.510  12.864   4.084
   28   HH21  ARG   3          HH21      ARG   3  17.910  12.730   3.276
   29   HH22  ARG   3          HH22      ARG   3  17.762  13.732   1.871
   30    H    ILE   4           H        ILE   4   8.396  15.778   1.444
   31    HA   ILE   4           HA       ILE   4   8.690  12.848   1.589
   32    HB   ILE   4           HB       ILE   4   7.963  13.692   3.728
   33   HG12  ILE   4          HG12      ILE   4   5.814  12.496   3.952
   34   HG13  ILE   4          HG13      ILE   4   5.651  12.474   2.199
   35   HG21  ILE   4          HG21      ILE   4   5.830  15.108   2.146
   36   HG22  ILE   4          HG22      ILE   4   5.762  14.895   3.895
   37   HG23  ILE   4          HG23      ILE   4   7.074  15.823   3.171
   38   HD11  ILE   4          HD11      ILE   4   6.809  10.529   3.781
   39   HD12  ILE   4          HD12      ILE   4   6.924  10.669   2.026
   40   HD13  ILE   4          HD13      ILE   4   8.179  11.365   3.051
   41    H    GLY   5           H        GLY   5   7.058  15.533   0.129
   42    HA2  GLY   5           HA2      GLY   5   6.254  14.269  -2.159
   43    HA3  GLY   5           HA3      GLY   5   4.927  14.003  -1.038
   44    H    VAL   6           H        VAL   6   6.081  16.003  -3.405
   45    HA   VAL   6           HA       VAL   6   4.537  18.304  -2.398
   46    HB   VAL   6           HB       VAL   6   6.946  18.757  -2.826
   47   HG11  VAL   6          HG11      VAL   6   6.738  17.156  -4.958
   48   HG12  VAL   6          HG12      VAL   6   6.517  18.717  -5.751
   49   HG13  VAL   6          HG13      VAL   6   7.977  18.402  -4.812
   50   HG21  VAL   6          HG21      VAL   6   6.493  20.871  -3.483
   51   HG22  VAL   6          HG22      VAL   6   5.586  20.351  -4.904
   52   HG23  VAL   6          HG23      VAL   6   4.821  20.334  -3.315
   53    H    ARG   7           H        ARG   7   4.821  15.926  -4.866
   54    HA   ARG   7           HA       ARG   7   2.912  17.330  -6.591
   55    HB2  ARG   7           HB2      ARG   7   3.436  15.595  -8.254
   56    HB3  ARG   7           HB3      ARG   7   4.883  16.428  -7.703
   57    HG2  ARG   7           HG2      ARG   7   5.738  14.584  -6.710
   58    HG3  ARG   7           HG3      ARG   7   4.151  13.950  -6.269
   59    HD2  ARG   7           HD2      ARG   7   5.244  13.992  -9.078
   60    HD3  ARG   7           HD3      ARG   7   5.353  12.606  -7.993
   61    HE   ARG   7           HE       ARG   7   2.675  13.380  -8.142
   62   HH11  ARG   7          HH11      ARG   7   4.039  11.193 -11.206
   63   HH12  ARG   7          HH12      ARG   7   5.154  12.051 -10.194
   64   HH21  ARG   7          HH21      ARG   7   1.789  11.310 -10.791
   65   HH22  ARG   7          HH22      ARG   7   1.198  12.254  -9.466
   66    H    LEU   8           H        LEU   8   1.728  16.603  -4.294
   67    HA   LEU   8           HA       LEU   8   0.685  14.065  -4.007
   68    HB2  LEU   8           HB2      LEU   8  -0.337  16.789  -3.339
   69    HB3  LEU   8           HB3      LEU   8  -1.384  15.391  -3.108
   70    HG   LEU   8           HG       LEU   8  -0.262  16.062  -1.036
   71   HD11  LEU   8          HD11      LEU   8  -0.877  13.727  -1.367
   72   HD12  LEU   8          HD12      LEU   8   0.603  13.866  -0.419
   73   HD13  LEU   8          HD13      LEU   8   0.687  13.414  -2.121
   74   HD21  LEU   8          HD21      LEU   8   2.335  15.185  -2.257
   75   HD22  LEU   8          HD22      LEU   8   2.058  16.059  -0.750
   76   HD23  LEU   8          HD23      LEU   8   1.815  16.870  -2.298
   77    HA   PRO   9           HA       PRO   9  -2.157  13.329  -7.267
   78    HB2  PRO   9           HB2      PRO   9  -4.191  12.065  -5.988
   79    HB3  PRO   9           HB3      PRO   9  -2.620  11.308  -6.277
   80    HG2  PRO   9           HG2      PRO   9  -3.664  12.614  -3.794
   81    HG3  PRO   9           HG3      PRO   9  -2.747  11.106  -3.964
   82    HD2  PRO   9           HD2      PRO   9  -1.593  13.436  -3.209
   83    HD3  PRO   9           HD3      PRO   9  -0.731  12.207  -4.156
   84    H    GLY  10           H        GLY  10  -3.346  15.017  -4.433
   85    HA2  GLY  10           HA2      GLY  10  -5.035  16.660  -6.147
   86    HA3  GLY  10           HA3      GLY  10  -5.861  15.755  -4.887
   87    H    HIS  11           H        HIS  11  -2.682  16.769  -4.137
   88    HA   HIS  11           HA       HIS  11  -3.773  18.968  -2.505
   89    HB2  HIS  11           HB2      HIS  11  -2.317  16.671  -1.712
   90    HB3  HIS  11           HB3      HIS  11  -1.242  18.052  -1.513
   91    HD1  HIS  11           HD1      HIS  11  -1.343  18.845   0.815
   92    HD2  HIS  11           HD2      HIS  11  -5.062  17.573  -0.532
   93    HE1  HIS  11           HE1      HIS  11  -2.924  19.244   2.730
   94    H    GLN  12           H        GLN  12  -1.643  18.123  -4.996
   95    HA   GLN  12           HA       GLN  12   0.493  19.847  -4.735
   96    HB2  GLN  12           HB2      GLN  12  -0.171  18.125  -6.616
   97    HB3  GLN  12           HB3      GLN  12  -0.810  19.558  -7.410
   98    HG2  GLN  12           HG2      GLN  12   1.409  20.613  -7.225
   99    HG3  GLN  12           HG3      GLN  12   2.030  19.123  -6.516
  100   HE21  GLN  12          HE21      GLN  12   0.996  17.176  -8.004
  101   HE22  GLN  12          HE22      GLN  12   1.489  17.316  -9.654
  102    H    LYS  13           H        LYS  13  -2.809  20.550  -5.664
  103    HA   LYS  13           HA       LYS  13  -2.322  23.195  -6.597
  104    HB2  LYS  13           HB2      LYS  13  -4.771  21.663  -5.788
  105    HB3  LYS  13           HB3      LYS  13  -4.872  23.391  -6.098
  106    HG2  LYS  13           HG2      LYS  13  -3.610  21.603  -8.124
  107    HG3  LYS  13           HG3      LYS  13  -5.369  21.687  -7.997
  108    HD2  LYS  13           HD2      LYS  13  -5.377  24.015  -8.466
  109    HD3  LYS  13           HD3      LYS  13  -3.625  24.126  -8.277
  110    HE2  LYS  13           HE2      LYS  13  -3.263  23.512 -10.393
  111    HE3  LYS  13           HE3      LYS  13  -4.403  22.172 -10.281
  112    HZ1  LYS  13           HZ1      LYS  13  -5.374  24.945 -10.532
  113    HZ2  LYS  13           HZ2      LYS  13  -6.159  23.502 -10.937
  114    HZ3  LYS  13           HZ3      LYS  13  -4.896  24.078 -11.904
  115    H    ARG  14           H        ARG  14  -3.218  21.806  -3.483
  116    HA   ARG  14           HA       ARG  14  -3.833  24.172  -2.125
  117    HB2  ARG  14           HB2      ARG  14  -4.017  21.641  -1.423
  118    HB3  ARG  14           HB3      ARG  14  -2.435  21.937  -0.715
  119    HG2  ARG  14           HG2      ARG  14  -4.066  24.077   0.086
  120    HG3  ARG  14           HG3      ARG  14  -5.024  22.609   0.292
  121    HD2  ARG  14           HD2      ARG  14  -3.895  22.835   2.322
  122    HD3  ARG  14           HD3      ARG  14  -2.944  21.644   1.436
  123    HE   ARG  14           HE       ARG  14  -1.844  24.128   0.883
  124   HH11  ARG  14          HH11      ARG  14  -0.952  22.669   4.503
  125   HH12  ARG  14          HH12      ARG  14  -2.345  22.084   3.656
  126   HH21  ARG  14          HH21      ARG  14   0.378  24.275   3.554
  127   HH22  ARG  14          HH22      ARG  14  -0.006  24.906   1.988
  128    H    ILE  15           H        ILE  15  -0.822  22.926  -3.204
  129    HA   ILE  15           HA       ILE  15   0.767  24.497  -1.357
  130    HB   ILE  15           HB       ILE  15   1.616  22.879  -3.762
  131   HG12  ILE  15          HG12      ILE  15   0.650  21.479  -2.017
  132   HG13  ILE  15          HG13      ILE  15   2.394  21.245  -2.076
  133   HG21  ILE  15          HG21      ILE  15   3.718  23.194  -1.914
  134   HG22  ILE  15          HG22      ILE  15   3.604  23.839  -3.550
  135   HG23  ILE  15          HG23      ILE  15   3.030  24.795  -2.184
  136   HD11  ILE  15          HD11      ILE  15   0.874  22.899  -0.075
  137   HD12  ILE  15          HD12      ILE  15   1.654  21.342   0.209
  138   HD13  ILE  15          HD13      ILE  15   2.630  22.765  -0.156
  139    H    ALA  16           H        ALA  16   0.039  24.488  -4.834
  140    HA   ALA  16           HA       ALA  16   1.584  26.771  -5.465
  141    HB1  ALA  16           HB1      ALA  16  -0.589  25.257  -6.839
  142    HB2  ALA  16           HB2      ALA  16  -0.079  26.821  -7.478
  143    HB3  ALA  16           HB3      ALA  16   1.089  25.508  -7.323
  144    H    TYR  17           H        TYR  17  -1.514  26.376  -4.013
  145    HA   TYR  17           HA       TYR  17  -2.288  29.138  -4.552
  146    HB2  TYR  17           HB2      TYR  17  -3.851  27.029  -4.564
  147    HB3  TYR  17           HB3      TYR  17  -3.882  27.283  -2.823
  148    HD1  TYR  17           HD1      TYR  17  -4.752  28.765  -6.086
  149    HD2  TYR  17           HD2      TYR  17  -5.114  29.088  -1.859
  150    HE1  TYR  17           HE1      TYR  17  -6.505  30.466  -6.373
  151    HE2  TYR  17           HE2      TYR  17  -6.869  30.789  -2.134
  152    HH   TYR  17           HH       TYR  17  -8.229  31.539  -5.261
  153    H    SER  18           H        SER  18  -0.953  27.162  -2.049
  154    HA   SER  18           HA       SER  18  -1.526  29.035   0.075
  155    HB2  SER  18           HB2      SER  18  -1.438  26.687   0.646
  156    HB3  SER  18           HB3      SER  18   0.191  26.544  -0.015
  157    HG   SER  18           HG       SER  18  -0.317  26.978   2.427
  158    H    LEU  19           H        LEU  19   0.984  28.476  -2.224
  159    HA   LEU  19           HA       LEU  19   2.951  30.033  -0.763
  160    HB2  LEU  19           HB2      LEU  19   2.930  28.270  -3.093
  161    HB3  LEU  19           HB3      LEU  19   3.952  29.692  -3.293
  162    HG   LEU  19           HG       LEU  19   5.199  27.731  -2.489
  163   HD11  LEU  19          HD11      LEU  19   6.248  28.849  -0.521
  164   HD12  LEU  19          HD12      LEU  19   4.966  30.057  -0.590
  165   HD13  LEU  19          HD13      LEU  19   6.083  29.880  -1.942
  166   HD21  LEU  19          HD21      LEU  19   3.358  27.957  -0.113
  167   HD22  LEU  19          HD22      LEU  19   4.840  27.000  -0.140
  168   HD23  LEU  19          HD23      LEU  19   3.508  26.594  -1.223
  169    H    LEU  20           H        LEU  20   0.949  30.334  -3.665
  170    HA   LEU  20           HA       LEU  20   1.934  32.968  -4.275
  171    HB2  LEU  20           HB2      LEU  20   0.621  30.989  -5.682
  172    HB3  LEU  20           HB3      LEU  20  -0.607  32.238  -5.489
  173    HG   LEU  20           HG       LEU  20   0.935  33.865  -6.533
  174   HD11  LEU  20          HD11      LEU  20   2.774  31.620  -6.275
  175   HD12  LEU  20          HD12      LEU  20   3.103  33.340  -6.483
  176   HD13  LEU  20          HD13      LEU  20   2.762  32.332  -7.889
  177   HD21  LEU  20          HD21      LEU  20   0.547  31.441  -8.277
  178   HD22  LEU  20          HD22      LEU  20   0.591  33.134  -8.768
  179   HD23  LEU  20          HD23      LEU  20  -0.763  32.528  -7.814
  180    H    GLY  21           H        GLY  21  -0.051  31.851  -1.912
  181    HA2  GLY  21           HA2      GLY  21  -1.802  34.220  -1.968
  182    HA3  GLY  21           HA3      GLY  21  -2.115  32.751  -1.057
  183    H    LEU  22           H        LEU  22   0.876  32.845  -0.325
  184    HA   LEU  22           HA       LEU  22   0.579  34.825   1.838
  185    HB2  LEU  22           HB2      LEU  22   0.873  32.100   2.065
  186    HB3  LEU  22           HB3      LEU  22   2.517  32.692   2.292
  187    HG   LEU  22           HG       LEU  22   0.277  33.884   3.874
  188   HD11  LEU  22          HD11      LEU  22   1.758  31.627   5.072
  189   HD12  LEU  22          HD12      LEU  22   0.506  31.220   3.899
  190   HD13  LEU  22          HD13      LEU  22   0.098  32.166   5.330
  191   HD21  LEU  22          HD21      LEU  22   3.150  34.030   3.792
  192   HD22  LEU  22          HD22      LEU  22   2.598  33.508   5.384
  193   HD23  LEU  22          HD23      LEU  22   2.001  35.018   4.695
  194    H    LYS  23           H        LYS  23   2.567  33.619  -0.717
  195    HA   LYS  23           HA       LYS  23   4.805  35.328   0.100
  196    HB2  LYS  23           HB2      LYS  23   4.967  32.823  -0.714
  197    HB3  LYS  23           HB3      LYS  23   4.906  33.561  -2.309
  198    HG2  LYS  23           HG2      LYS  23   7.185  33.299  -1.799
  199    HG3  LYS  23           HG3      LYS  23   6.835  35.015  -1.574
  200    HD2  LYS  23           HD2      LYS  23   8.106  34.457   0.302
  201    HD3  LYS  23           HD3      LYS  23   6.443  34.397   0.893
  202    HE2  LYS  23           HE2      LYS  23   6.588  32.218   1.355
  203    HE3  LYS  23           HE3      LYS  23   7.321  31.856  -0.207
  204    HZ1  LYS  23           HZ1      LYS  23   9.461  32.507   0.664
  205    HZ2  LYS  23           HZ2      LYS  23   8.787  31.311   1.652
  206    HZ3  LYS  23           HZ3      LYS  23   8.774  32.927   2.153
  207    H    ASP  24           H        ASP  24   2.052  35.642  -1.605
  208    HA   ASP  24           HA       ASP  24   3.268  37.531  -3.514
  209    HB2  ASP  24           HB2      ASP  24   1.710  35.339  -4.140
  210    HB3  ASP  24           HB3      ASP  24   0.549  36.664  -4.157
  211    H    GLN  25           H        GLN  25   0.742  36.941  -1.171
  212    HA   GLN  25           HA       GLN  25  -0.291  39.657  -1.504
  213    HB2  GLN  25           HB2      GLN  25  -1.466  37.177  -0.800
  214    HB3  GLN  25           HB3      GLN  25  -1.589  38.222   0.609
  215    HG2  GLN  25           HG2      GLN  25  -3.555  38.355  -0.853
  216    HG3  GLN  25           HG3      GLN  25  -2.731  39.904  -0.676
  217   HE21  GLN  25          HE21      GLN  25  -3.986  40.389  -2.632
  218   HE22  GLN  25          HE22      GLN  25  -3.311  39.971  -4.167
  219    H    VAL  26           H        VAL  26   2.354  38.981  -0.305
  220    HA   VAL  26           HA       VAL  26   3.661  39.546   1.479
  221    HB   VAL  26           HB       VAL  26   1.534  41.673   1.752
  222   HG11  VAL  26          HG11      VAL  26   3.838  42.745   2.749
  223   HG12  VAL  26          HG12      VAL  26   2.521  42.088   3.721
  224   HG13  VAL  26          HG13      VAL  26   3.921  41.086   3.338
  225   HG21  VAL  26          HG21      VAL  26   3.017  41.376  -0.386
  226   HG22  VAL  26          HG22      VAL  26   2.751  42.978   0.300
  227   HG23  VAL  26          HG23      VAL  26   4.258  42.121   0.622
  228    HN1  NH2  27           HN1      NH2  27   3.306  37.630   2.684
  229    HN2  NH2  27           HN2      NH2  27   2.318  37.625   4.106
  Start of MODEL   19
    1    H1   ACE   1           H1       ACE   1   0.046  10.976 -10.173
    2    H2   ACE   1           H2       ACE   1   0.939   9.572 -10.805
    3    H3   ACE   1           H3       ACE   1  -0.551   9.328  -9.862
    4    H    LYS   2           H        LYS   2   2.772   9.460  -9.796
    5    HA   LYS   2           HA       LYS   2   4.316   9.230  -8.142
    6    HB2  LYS   2           HB2      LYS   2   2.523  11.147  -6.641
    7    HB3  LYS   2           HB3      LYS   2   4.211  10.808  -6.283
    8    HG2  LYS   2           HG2      LYS   2   4.913  11.821  -8.338
    9    HG3  LYS   2           HG3      LYS   2   3.240  12.011  -8.866
   10    HD2  LYS   2           HD2      LYS   2   3.036  13.934  -7.757
   11    HD3  LYS   2           HD3      LYS   2   3.654  13.209  -6.271
   12    HE2  LYS   2           HE2      LYS   2   5.821  13.835  -6.709
   13    HE3  LYS   2           HE3      LYS   2   5.571  13.873  -8.454
   14    HZ1  LYS   2           HZ1      LYS   2   4.186  15.880  -8.105
   15    HZ2  LYS   2           HZ2      LYS   2   5.808  16.097  -7.675
   16    HZ3  LYS   2           HZ3      LYS   2   4.637  15.877  -6.474
   17    H    ARG   3           H        ARG   3   3.213   7.013  -8.076
   18    HA   ARG   3           HA       ARG   3   1.868   6.535  -5.517
   19    HB2  ARG   3           HB2      ARG   3   1.484   5.494  -8.091
   20    HB3  ARG   3           HB3      ARG   3   2.201   4.182  -7.166
   21    HG2  ARG   3           HG2      ARG   3  -0.226   5.739  -6.303
   22    HG3  ARG   3           HG3      ARG   3  -0.275   4.192  -7.151
   23    HD2  ARG   3           HD2      ARG   3   0.970   3.153  -5.316
   24    HD3  ARG   3           HD3      ARG   3   1.013   4.700  -4.471
   25    HE   ARG   3           HE       ARG   3  -1.656   3.995  -5.056
   26   HH11  ARG   3          HH11      ARG   3  -0.030   2.539  -1.700
   27   HH12  ARG   3          HH12      ARG   3   0.992   3.125  -2.971
   28   HH21  ARG   3          HH21      ARG   3  -2.308   2.597  -1.941
   29   HH22  ARG   3          HH22      ARG   3  -3.012   3.227  -3.391
   30    H    ILE   4           H        ILE   4   4.847   6.993  -6.097
   31    HA   ILE   4           HA       ILE   4   5.773   4.777  -4.423
   32    HB   ILE   4           HB       ILE   4   7.347   5.709  -6.820
   33   HG12  ILE   4          HG12      ILE   4   6.744   3.185  -7.459
   34   HG13  ILE   4          HG13      ILE   4   5.308   3.562  -6.514
   35   HG21  ILE   4          HG21      ILE   4   7.718   3.477  -4.835
   36   HG22  ILE   4          HG22      ILE   4   8.629   3.610  -6.338
   37   HG23  ILE   4          HG23      ILE   4   8.770   4.865  -5.107
   38   HD11  ILE   4          HD11      ILE   4   6.091   4.446  -9.180
   39   HD12  ILE   4          HD12      ILE   4   4.493   4.322  -8.443
   40   HD13  ILE   4          HD13      ILE   4   5.498   5.739  -8.138
   41    H    GLY   5           H        GLY   5   6.149   5.981  -2.629
   42    HA2  GLY   5           HA2      GLY   5   7.630   7.201  -1.291
   43    HA3  GLY   5           HA3      GLY   5   8.395   7.824  -2.746
   44    H    VAL   6           H        VAL   6   6.498   8.620  -0.151
   45    HA   VAL   6           HA       VAL   6   5.677  11.120  -1.448
   46    HB   VAL   6           HB       VAL   6   3.879   9.603   0.443
   47   HG11  VAL   6          HG11      VAL   6   3.094  11.875  -1.345
   48   HG12  VAL   6          HG12      VAL   6   2.298  11.278   0.112
   49   HG13  VAL   6          HG13      VAL   6   3.813  12.173   0.238
   50   HG21  VAL   6          HG21      VAL   6   4.092   8.410  -1.685
   51   HG22  VAL   6          HG22      VAL   6   2.483   9.105  -1.493
   52   HG23  VAL   6          HG23      VAL   6   3.658   9.882  -2.553
   53    H    ARG   7           H        ARG   7   7.770  11.586  -0.243
   54    HA   ARG   7           HA       ARG   7   7.162  12.277   2.557
   55    HB2  ARG   7           HB2      ARG   7   9.715  11.373   1.257
   56    HB3  ARG   7           HB3      ARG   7   9.746  12.305   2.748
   57    HG2  ARG   7           HG2      ARG   7   7.934  10.364   3.352
   58    HG3  ARG   7           HG3      ARG   7   9.053   9.503   2.293
   59    HD2  ARG   7           HD2      ARG   7  10.910  10.057   3.686
   60    HD3  ARG   7           HD3      ARG   7   9.930  11.163   4.647
   61    HE   ARG   7           HE       ARG   7   8.827   8.573   4.762
   62   HH11  ARG   7          HH11      ARG   7  11.775   9.448   7.325
   63   HH12  ARG   7          HH12      ARG   7  11.560  10.406   5.897
   64   HH21  ARG   7          HH21      ARG   7  10.375   7.684   7.745
   65   HH22  ARG   7          HH22      ARG   7   9.099   7.305   6.638
   66    H    LEU   8           H        LEU   8   6.352  13.980   0.553
   67    HA   LEU   8           HA       LEU   8   8.289  15.981  -0.045
   68    HB2  LEU   8           HB2      LEU   8   5.346  16.505  -0.015
   69    HB3  LEU   8           HB3      LEU   8   6.579  17.136  -1.105
   70    HG   LEU   8           HG       LEU   8   6.596  14.419  -1.613
   71   HD11  LEU   8          HD11      LEU   8   4.519  13.534  -1.547
   72   HD12  LEU   8          HD12      LEU   8   3.727  15.086  -1.817
   73   HD13  LEU   8          HD13      LEU   8   4.329  14.672  -0.213
   74   HD21  LEU   8          HD21      LEU   8   5.184  16.692  -3.001
   75   HD22  LEU   8          HD22      LEU   8   5.425  15.095  -3.710
   76   HD23  LEU   8          HD23      LEU   8   6.818  16.098  -3.303
   77    HA   PRO   9           HA       PRO   9   8.255  18.447   3.588
   78    HB2  PRO   9           HB2      PRO   9   8.591  20.928   2.538
   79    HB3  PRO   9           HB3      PRO   9   9.884  19.724   2.591
   80    HG2  PRO   9           HG2      PRO   9   8.088  20.476   0.317
   81    HG3  PRO   9           HG3      PRO   9   9.833  20.165   0.308
   82    HD2  PRO   9           HD2      PRO   9   8.020  18.324  -0.502
   83    HD3  PRO   9           HD3      PRO   9   9.552  17.877   0.276
   84    H    GLY  10           H        GLY  10   7.206  20.428   4.571
   85    HA2  GLY  10           HA2      GLY  10   4.391  20.533   3.695
   86    HA3  GLY  10           HA3      GLY  10   4.937  20.765   5.349
   87    H    HIS  11           H        HIS  11   6.901  22.270   3.016
   88    HA   HIS  11           HA       HIS  11   5.836  24.879   3.813
   89    HB2  HIS  11           HB2      HIS  11   8.377  24.052   3.858
   90    HB3  HIS  11           HB3      HIS  11   8.330  24.653   2.203
   91    HD1  HIS  11           HD1      HIS  11   8.680  27.097   1.913
   92    HD2  HIS  11           HD2      HIS  11   7.628  26.118   5.811
   93    HE1  HIS  11           HE1      HIS  11   8.884  29.235   3.222
   94    H    GLN  12           H        GLN  12   6.075  22.764   1.111
   95    HA   GLN  12           HA       GLN  12   5.980  24.514  -1.040
   96    HB2  GLN  12           HB2      GLN  12   4.820  22.671  -2.250
   97    HB3  GLN  12           HB3      GLN  12   6.269  22.153  -1.398
   98    HG2  GLN  12           HG2      GLN  12   4.731  21.440   0.486
   99    HG3  GLN  12           HG3      GLN  12   3.404  21.675  -0.651
  100   HE21  GLN  12          HE21      GLN  12   2.844  19.511  -0.642
  101   HE22  GLN  12          HE22      GLN  12   3.808  18.300  -1.409
  102    H    LYS  13           H        LYS  13   3.295  23.181   0.865
  103    HA   LYS  13           HA       LYS  13   1.205  24.378  -0.560
  104    HB2  LYS  13           HB2      LYS  13   1.542  23.011   1.988
  105    HB3  LYS  13           HB3      LYS  13   0.330  24.282   2.077
  106    HG2  LYS  13           HG2      LYS  13  -1.089  23.225   0.641
  107    HG3  LYS  13           HG3      LYS  13   0.216  22.405  -0.221
  108    HD2  LYS  13           HD2      LYS  13   0.529  21.161   2.064
  109    HD3  LYS  13           HD3      LYS  13  -1.142  21.660   2.333
  110    HE2  LYS  13           HE2      LYS  13  -1.097  20.660  -0.268
  111    HE3  LYS  13           HE3      LYS  13  -0.089  19.551   0.660
  112    HZ1  LYS  13           HZ1      LYS  13  -2.946  20.164   0.972
  113    HZ2  LYS  13           HZ2      LYS  13  -2.061  19.661   2.322
  114    HZ3  LYS  13           HZ3      LYS  13  -2.166  18.663   0.961
  115    H    ARG  14           H        ARG  14   3.159  25.569   2.129
  116    HA   ARG  14           HA       ARG  14   1.710  27.884   2.714
  117    HB2  ARG  14           HB2      ARG  14   3.444  27.146   4.202
  118    HB3  ARG  14           HB3      ARG  14   4.662  27.294   2.942
  119    HG2  ARG  14           HG2      ARG  14   3.207  29.770   3.515
  120    HG3  ARG  14           HG3      ARG  14   4.170  29.150   4.857
  121    HD2  ARG  14           HD2      ARG  14   6.132  29.542   3.805
  122    HD3  ARG  14           HD3      ARG  14   5.481  29.135   2.218
  123    HE   ARG  14           HE       ARG  14   5.028  31.351   1.879
  124   HH11  ARG  14          HH11      ARG  14   5.557  32.496   5.678
  125   HH12  ARG  14          HH12      ARG  14   5.577  30.811   5.274
  126   HH21  ARG  14          HH21      ARG  14   5.229  34.065   4.042
  127   HH22  ARG  14          HH22      ARG  14   5.000  33.571   2.398
  128    H    ILE  15           H        ILE  15   3.700  27.110   0.019
  129    HA   ILE  15           HA       ILE  15   4.127  29.873  -0.754
  130    HB   ILE  15           HB       ILE  15   4.760  27.315  -2.231
  131   HG12  ILE  15          HG12      ILE  15   6.914  29.047  -1.192
  132   HG13  ILE  15          HG13      ILE  15   5.954  28.228   0.036
  133   HG21  ILE  15          HG21      ILE  15   5.311  30.199  -2.850
  134   HG22  ILE  15          HG22      ILE  15   6.307  28.901  -3.507
  135   HG23  ILE  15          HG23      ILE  15   4.585  28.965  -3.881
  136   HD11  ILE  15          HD11      ILE  15   6.840  26.231  -0.435
  137   HD12  ILE  15          HD12      ILE  15   6.827  26.518  -2.175
  138   HD13  ILE  15          HD13      ILE  15   8.126  27.178  -1.182
  139    H    ALA  16           H        ALA  16   2.246  27.084  -1.874
  140    HA   ALA  16           HA       ALA  16   1.083  28.386  -4.104
  141    HB1  ALA  16           HB1      ALA  16  -0.346  26.176  -2.709
  142    HB2  ALA  16           HB2      ALA  16  -0.112  26.458  -4.434
  143    HB3  ALA  16           HB3      ALA  16   1.219  25.846  -3.452
  144    H    TYR  17           H        TYR  17   0.424  28.482  -0.727
  145    HA   TYR  17           HA       TYR  17  -2.249  29.590  -1.134
  146    HB2  TYR  17           HB2      TYR  17  -1.847  27.891   0.654
  147    HB3  TYR  17           HB3      TYR  17  -0.799  29.049   1.465
  148    HD1  TYR  17           HD1      TYR  17  -1.705  30.862   2.733
  149    HD2  TYR  17           HD2      TYR  17  -4.279  28.323   0.491
  150    HE1  TYR  17           HE1      TYR  17  -3.651  31.818   3.896
  151    HE2  TYR  17           HE2      TYR  17  -6.232  29.272   1.646
  152    HH   TYR  17           HH       TYR  17  -6.887  30.523   3.428
  153    H    SER  18           H        SER  18   0.990  30.541  -0.334
  154    HA   SER  18           HA       SER  18   0.284  33.116   0.720
  155    HB2  SER  18           HB2      SER  18   2.341  32.209   1.499
  156    HB3  SER  18           HB3      SER  18   2.900  31.879  -0.140
  157    HG   SER  18           HG       SER  18   3.541  33.881  -0.326
  158    H    LEU  19           H        LEU  19   0.922  31.782  -2.411
  159    HA   LEU  19           HA       LEU  19   1.303  34.378  -3.652
  160    HB2  LEU  19           HB2      LEU  19   1.768  31.620  -4.359
  161    HB3  LEU  19           HB3      LEU  19   0.901  32.461  -5.643
  162    HG   LEU  19           HG       LEU  19   2.714  34.185  -5.626
  163   HD11  LEU  19          HD11      LEU  19   4.156  32.176  -3.904
  164   HD12  LEU  19          HD12      LEU  19   3.517  33.719  -3.338
  165   HD13  LEU  19          HD13      LEU  19   4.807  33.687  -4.540
  166   HD21  LEU  19          HD21      LEU  19   2.569  31.820  -6.936
  167   HD22  LEU  19          HD22      LEU  19   4.150  31.678  -6.165
  168   HD23  LEU  19          HD23      LEU  19   3.805  33.044  -7.227
  169    H    LEU  20           H        LEU  20  -1.144  31.829  -3.527
  170    HA   LEU  20           HA       LEU  20  -2.940  33.230  -5.287
  171    HB2  LEU  20           HB2      LEU  20  -2.904  30.666  -3.838
  172    HB3  LEU  20           HB3      LEU  20  -4.498  31.375  -4.087
  173    HG   LEU  20           HG       LEU  20  -4.004  29.777  -5.836
  174   HD11  LEU  20          HD11      LEU  20  -3.698  32.420  -7.187
  175   HD12  LEU  20          HD12      LEU  20  -5.150  32.080  -6.247
  176   HD13  LEU  20          HD13      LEU  20  -4.723  31.049  -7.613
  177   HD21  LEU  20          HD21      LEU  20  -2.162  30.216  -7.432
  178   HD22  LEU  20          HD22      LEU  20  -1.597  29.815  -5.809
  179   HD23  LEU  20          HD23      LEU  20  -1.579  31.491  -6.361
  180    H    GLY  21           H        GLY  21  -2.022  33.778  -2.184
  181    HA2  GLY  21           HA2      GLY  21  -4.695  34.657  -1.314
  182    HA3  GLY  21           HA3      GLY  21  -3.316  34.398  -0.256
  183    H    LEU  22           H        LEU  22  -1.628  35.833  -2.357
  184    HA   LEU  22           HA       LEU  22  -2.377  38.557  -1.526
  185    HB2  LEU  22           HB2      LEU  22  -0.041  37.204  -1.046
  186    HB3  LEU  22           HB3      LEU  22   0.359  38.160  -2.472
  187    HG   LEU  22           HG       LEU  22  -0.391  40.192  -1.213
  188   HD11  LEU  22          HD11      LEU  22  -1.016  40.145   0.975
  189   HD12  LEU  22          HD12      LEU  22  -0.112  38.671   1.321
  190   HD13  LEU  22          HD13      LEU  22  -1.650  38.580   0.463
  191   HD21  LEU  22          HD21      LEU  22   1.737  40.518  -0.610
  192   HD22  LEU  22          HD22      LEU  22   2.019  38.883  -1.211
  193   HD23  LEU  22          HD23      LEU  22   1.724  39.154   0.508
  194    H    LYS  23           H        LYS  23  -1.640  36.480  -4.190
  195    HA   LYS  23           HA       LYS  23  -1.551  38.733  -6.058
  196    HB2  LYS  23           HB2      LYS  23  -1.217  35.810  -6.723
  197    HB3  LYS  23           HB3      LYS  23  -0.737  37.198  -7.691
  198    HG2  LYS  23           HG2      LYS  23   0.468  36.473  -5.029
  199    HG3  LYS  23           HG3      LYS  23   1.157  36.050  -6.598
  200    HD2  LYS  23           HD2      LYS  23   1.782  38.205  -7.056
  201    HD3  LYS  23           HD3      LYS  23   0.489  38.903  -6.079
  202    HE2  LYS  23           HE2      LYS  23   1.831  39.074  -4.312
  203    HE3  LYS  23           HE3      LYS  23   2.300  37.380  -4.436
  204    HZ1  LYS  23           HZ1      LYS  23   3.566  38.814  -6.486
  205    HZ2  LYS  23           HZ2      LYS  23   4.272  38.010  -5.176
  206    HZ3  LYS  23           HZ3      LYS  23   3.831  39.637  -5.031
  207    H    ASP  24           H        ASP  24  -3.836  36.852  -4.640
  208    HA   ASP  24           HA       ASP  24  -5.609  36.992  -6.991
  209    HB2  ASP  24           HB2      ASP  24  -4.959  34.704  -5.764
  210    HB3  ASP  24           HB3      ASP  24  -6.296  35.190  -4.726
  211    H    GLN  25           H        GLN  25  -5.183  37.705  -3.609
  212    HA   GLN  25           HA       GLN  25  -7.894  38.562  -3.185
  213    HB2  GLN  25           HB2      GLN  25  -5.369  38.779  -1.557
  214    HB3  GLN  25           HB3      GLN  25  -6.878  39.522  -1.043
  215    HG2  GLN  25           HG2      GLN  25  -6.622  36.595  -1.670
  216    HG3  GLN  25           HG3      GLN  25  -6.362  37.267  -0.061
  217   HE21  GLN  25          HE21      GLN  25  -8.198  38.715   0.695
  218   HE22  GLN  25          HE22      GLN  25  -9.798  38.129   0.410
  219    H    VAL  26           H        VAL  26  -5.223  39.900  -4.713
  220    HA   VAL  26           HA       VAL  26  -5.346  42.603  -4.013
  221    HB   VAL  26           HB       VAL  26  -4.432  43.006  -6.348
  222   HG11  VAL  26          HG11      VAL  26  -2.407  41.306  -5.696
  223   HG12  VAL  26          HG12      VAL  26  -2.651  42.903  -4.986
  224   HG13  VAL  26          HG13      VAL  26  -3.247  41.466  -4.154
  225   HG21  VAL  26          HG21      VAL  26  -4.283  40.005  -6.483
  226   HG22  VAL  26          HG22      VAL  26  -5.562  40.930  -7.269
  227   HG23  VAL  26          HG23      VAL  26  -3.880  41.177  -7.738
  228    HN1  NH2  27           HN1      NH2  27  -7.395  40.659  -6.073
  229    HN2  NH2  27           HN2      NH2  27  -8.469  41.925  -6.566
  Start of MODEL   20
    1    H1   ACE   1           H1       ACE   1   9.610  11.082 -10.519
    2    H2   ACE   1           H2       ACE   1  10.943  10.325  -9.613
    3    H3   ACE   1           H3       ACE   1  10.798  10.065 -11.368
    4    H    LYS   2           H        LYS   2   9.956   9.014  -8.273
    5    HA   LYS   2           HA       LYS   2   8.328   6.861  -9.433
    6    HB2  LYS   2           HB2      LYS   2   8.927   5.540  -7.498
    7    HB3  LYS   2           HB3      LYS   2  10.388   6.212  -8.212
    8    HG2  LYS   2           HG2      LYS   2   9.914   8.120  -6.424
    9    HG3  LYS   2           HG3      LYS   2   9.112   6.779  -5.602
   10    HD2  LYS   2           HD2      LYS   2  11.194   6.429  -4.783
   11    HD3  LYS   2           HD3      LYS   2  11.398   5.565  -6.309
   12    HE2  LYS   2           HE2      LYS   2  12.556   7.352  -7.292
   13    HE3  LYS   2           HE3      LYS   2  12.013   8.493  -6.062
   14    HZ1  LYS   2           HZ1      LYS   2  14.400   7.622  -5.945
   15    HZ2  LYS   2           HZ2      LYS   2  13.719   6.196  -5.342
   16    HZ3  LYS   2           HZ3      LYS   2  13.498   7.654  -4.514
   17    H    ARG   3           H        ARG   3   8.222   9.556  -7.297
   18    HA   ARG   3           HA       ARG   3   5.399   9.412  -7.045
   19    HB2  ARG   3           HB2      ARG   3   6.997   8.139  -4.977
   20    HB3  ARG   3           HB3      ARG   3   5.995   9.429  -4.326
   21    HG2  ARG   3           HG2      ARG   3   4.743   7.457  -6.164
   22    HG3  ARG   3           HG3      ARG   3   5.110   6.964  -4.510
   23    HD2  ARG   3           HD2      ARG   3   3.943   9.314  -4.004
   24    HD3  ARG   3           HD3      ARG   3   3.134   8.923  -5.522
   25    HE   ARG   3           HE       ARG   3   2.681   7.714  -2.985
   26   HH11  ARG   3          HH11      ARG   3   1.588   5.776  -6.314
   27   HH12  ARG   3          HH12      ARG   3   2.724   7.081  -6.409
   28   HH21  ARG   3          HH21      ARG   3   0.713   5.161  -4.288
   29   HH22  ARG   3          HH22      ARG   3   1.185   5.997  -2.848
   30    H    ILE   4           H        ILE   4   5.286  11.518  -7.645
   31    HA   ILE   4           HA       ILE   4   6.953  13.601  -6.947
   32    HB   ILE   4           HB       ILE   4   3.977  13.742  -7.446
   33   HG12  ILE   4          HG12      ILE   4   5.725  14.651  -9.576
   34   HG13  ILE   4          HG13      ILE   4   6.055  12.975  -9.152
   35   HG21  ILE   4          HG21      ILE   4   6.077  15.828  -7.120
   36   HG22  ILE   4          HG22      ILE   4   4.771  16.104  -8.271
   37   HG23  ILE   4          HG23      ILE   4   4.401  15.818  -6.571
   38   HD11  ILE   4          HD11      ILE   4   4.427  12.571 -10.639
   39   HD12  ILE   4          HD12      ILE   4   3.368  12.919  -9.272
   40   HD13  ILE   4          HD13      ILE   4   3.716  14.175 -10.460
   41    H    GLY   5           H        GLY   5   4.405  12.112  -5.087
   42    HA2  GLY   5           HA2      GLY   5   4.527  12.246  -2.673
   43    HA3  GLY   5           HA3      GLY   5   5.099  13.899  -2.846
   44    H    VAL   6           H        VAL   6   2.502  12.073  -2.005
   45    HA   VAL   6           HA       VAL   6   0.587  14.180  -2.770
   46    HB   VAL   6           HB       VAL   6  -0.068  11.325  -2.035
   47   HG11  VAL   6          HG11      VAL   6  -1.694  13.668  -2.964
   48   HG12  VAL   6          HG12      VAL   6  -2.251  12.009  -3.192
   49   HG13  VAL   6          HG13      VAL   6  -1.953  12.625  -1.566
   50   HG21  VAL   6          HG21      VAL   6   0.971  11.042  -4.074
   51   HG22  VAL   6          HG22      VAL   6  -0.699  11.319  -4.568
   52   HG23  VAL   6          HG23      VAL   6   0.478  12.628  -4.667
   53    H    ARG   7           H        ARG   7   2.089  12.493  -0.177
   54    HA   ARG   7           HA       ARG   7   0.225  13.701   1.754
   55    HB2  ARG   7           HB2      ARG   7   2.037  11.304   1.919
   56    HB3  ARG   7           HB3      ARG   7   1.401  12.074   3.367
   57    HG2  ARG   7           HG2      ARG   7  -0.902  11.749   2.322
   58    HG3  ARG   7           HG3      ARG   7  -0.097  10.657   1.193
   59    HD2  ARG   7           HD2      ARG   7  -0.226   9.031   2.697
   60    HD3  ARG   7           HD3      ARG   7   0.784   9.978   3.789
   61    HE   ARG   7           HE       ARG   7  -1.913  10.841   3.910
   62   HH11  ARG   7          HH11      ARG   7  -0.736   7.871   6.322
   63   HH12  ARG   7          HH12      ARG   7   0.207   8.273   4.925
   64   HH21  ARG   7          HH21      ARG   7  -2.653   9.036   6.788
   65   HH22  ARG   7          HH22      ARG   7  -3.162  10.322   5.746
   66    H    LEU   8           H        LEU   8   1.872  15.519   0.725
   67    HA   LEU   8           HA       LEU   8   4.379  15.745   2.059
   68    HB2  LEU   8           HB2      LEU   8   2.888  18.092   0.961
   69    HB3  LEU   8           HB3      LEU   8   4.623  17.784   0.978
   70    HG   LEU   8           HG       LEU   8   3.598  15.764  -0.622
   71   HD11  LEU   8          HD11      LEU   8   2.056  16.653  -2.110
   72   HD12  LEU   8          HD12      LEU   8   2.365  18.311  -1.597
   73   HD13  LEU   8          HD13      LEU   8   1.468  17.216  -0.545
   74   HD21  LEU   8          HD21      LEU   8   4.989  16.650  -2.208
   75   HD22  LEU   8          HD22      LEU   8   5.625  17.436  -0.763
   76   HD23  LEU   8          HD23      LEU   8   4.536  18.314  -1.838
   77    HA   PRO   9           HA       PRO   9   3.239  17.472   5.931
   78    HB2  PRO   9           HB2      PRO   9   5.332  19.138   6.397
   79    HB3  PRO   9           HB3      PRO   9   5.465  17.378   6.491
   80    HG2  PRO   9           HG2      PRO   9   6.240  19.219   4.261
   81    HG3  PRO   9           HG3      PRO   9   7.118  17.826   4.918
   82    HD2  PRO   9           HD2      PRO   9   5.667  17.689   2.636
   83    HD3  PRO   9           HD3      PRO   9   5.848  16.308   3.737
   84    H    GLY  10           H        GLY  10   3.419  19.820   7.062
   85    HA2  GLY  10           HA2      GLY  10   1.852  21.570   5.304
   86    HA3  GLY  10           HA3      GLY  10   1.891  21.640   7.060
   87    H    HIS  11           H        HIS  11   4.950  21.290   5.617
   88    HA   HIS  11           HA       HIS  11   5.609  24.038   6.336
   89    HB2  HIS  11           HB2      HIS  11   7.021  21.514   6.296
   90    HB3  HIS  11           HB3      HIS  11   7.926  22.747   5.422
   91    HD1  HIS  11           HD1      HIS  11   7.022  21.639   8.810
   92    HD2  HIS  11           HD2      HIS  11   8.644  25.024   7.029
   93    HE1  HIS  11           HE1      HIS  11   8.030  22.970  10.690
   94    H    GLN  12           H        GLN  12   5.092  22.079   3.556
   95    HA   GLN  12           HA       GLN  12   6.330  24.087   1.809
   96    HB2  GLN  12           HB2      GLN  12   6.331  21.295   1.727
   97    HB3  GLN  12           HB3      GLN  12   5.233  21.778   0.442
   98    HG2  GLN  12           HG2      GLN  12   6.930  23.103  -0.599
   99    HG3  GLN  12           HG3      GLN  12   8.025  22.848   0.759
  100   HE21  GLN  12          HE21      GLN  12   9.012  22.280  -1.619
  101   HE22  GLN  12          HE22      GLN  12   9.104  20.576  -1.887
  102    H    LYS  13           H        LYS  13   3.288  22.686   2.733
  103    HA   LYS  13           HA       LYS  13   1.738  23.593   0.546
  104    HB2  LYS  13           HB2      LYS  13   1.297  22.193   2.989
  105    HB3  LYS  13           HB3      LYS  13   0.149  23.523   2.912
  106    HG2  LYS  13           HG2      LYS  13   0.538  21.383   0.830
  107    HG3  LYS  13           HG3      LYS  13  -0.809  21.517   1.962
  108    HD2  LYS  13           HD2      LYS  13  -0.868  23.967   0.804
  109    HD3  LYS  13           HD3      LYS  13  -0.277  22.981  -0.536
  110    HE2  LYS  13           HE2      LYS  13  -2.244  21.394   0.220
  111    HE3  LYS  13           HE3      LYS  13  -2.890  22.890   0.892
  112    HZ1  LYS  13           HZ1      LYS  13  -2.885  23.892  -1.241
  113    HZ2  LYS  13           HZ2      LYS  13  -3.619  22.378  -1.417
  114    HZ3  LYS  13           HZ3      LYS  13  -2.024  22.609  -1.930
  115    H    ARG  14           H        ARG  14   2.588  25.028   3.657
  116    HA   ARG  14           HA       ARG  14   0.889  27.248   3.570
  117    HB2  ARG  14           HB2      ARG  14   2.269  26.465   5.533
  118    HB3  ARG  14           HB3      ARG  14   3.663  27.208   4.760
  119    HG2  ARG  14           HG2      ARG  14   1.828  29.241   4.750
  120    HG3  ARG  14           HG3      ARG  14   1.492  28.420   6.275
  121    HD2  ARG  14           HD2      ARG  14   3.118  30.043   6.783
  122    HD3  ARG  14           HD3      ARG  14   3.991  28.513   6.706
  123    HE   ARG  14           HE       ARG  14   4.171  29.584   4.184
  124   HH11  ARG  14          HH11      ARG  14   6.403  31.530   6.879
  125   HH12  ARG  14          HH12      ARG  14   5.053  30.578   7.402
  126   HH21  ARG  14          HH21      ARG  14   6.909  31.676   4.649
  127   HH22  ARG  14          HH22      ARG  14   5.946  30.834   3.483
  128    H    ILE  15           H        ILE  15   3.716  26.517   1.763
  129    HA   ILE  15           HA       ILE  15   4.257  29.271   1.036
  130    HB   ILE  15           HB       ILE  15   5.453  26.709  -0.028
  131   HG12  ILE  15          HG12      ILE  15   6.771  28.703   1.804
  132   HG13  ILE  15          HG13      ILE  15   5.816  27.367   2.436
  133   HG21  ILE  15          HG21      ILE  15   7.293  28.490  -0.645
  134   HG22  ILE  15          HG22      ILE  15   5.930  28.173  -1.717
  135   HG23  ILE  15          HG23      ILE  15   5.907  29.580  -0.655
  136   HD11  ILE  15          HD11      ILE  15   7.904  26.459   2.492
  137   HD12  ILE  15          HD12      ILE  15   7.385  25.945   0.886
  138   HD13  ILE  15          HD13      ILE  15   8.448  27.340   1.065
  139    H    ALA  16           H        ALA  16   3.037  26.335  -0.547
  140    HA   ALA  16           HA       ALA  16   2.610  27.520  -3.079
  141    HB1  ALA  16           HB1      ALA  16   2.264  24.962  -1.892
  142    HB2  ALA  16           HB2      ALA  16   0.762  25.405  -2.705
  143    HB3  ALA  16           HB3      ALA  16   2.280  25.391  -3.602
  144    H    TYR  17           H        TYR  17   0.839  27.616  -0.127
  145    HA   TYR  17           HA       TYR  17  -1.603  28.523  -1.444
  146    HB2  TYR  17           HB2      TYR  17  -1.468  26.912   0.601
  147    HB3  TYR  17           HB3      TYR  17  -1.236  28.388   1.532
  148    HD1  TYR  17           HD1      TYR  17  -3.050  29.898   1.931
  149    HD2  TYR  17           HD2      TYR  17  -3.587  26.528  -0.610
  150    HE1  TYR  17           HE1      TYR  17  -5.484  30.251   1.987
  151    HE2  TYR  17           HE2      TYR  17  -6.022  26.872  -0.561
  152    HH   TYR  17           HH       TYR  17  -7.586  28.629   1.638
  153    H    SER  18           H        SER  18   1.143  29.746   0.264
  154    HA   SER  18           HA       SER  18  -0.056  32.305   0.862
  155    HB2  SER  18           HB2      SER  18   1.575  31.661   2.433
  156    HB3  SER  18           HB3      SER  18   2.709  31.156   1.180
  157    HG   SER  18           HG       SER  18   1.895  33.827   1.696
  158    H    LEU  19           H        LEU  19   1.713  30.863  -1.725
  159    HA   LEU  19           HA       LEU  19   2.479  33.403  -2.899
  160    HB2  LEU  19           HB2      LEU  19   3.228  30.648  -3.205
  161    HB3  LEU  19           HB3      LEU  19   2.813  31.337  -4.773
  162    HG   LEU  19           HG       LEU  19   4.482  33.092  -4.452
  163   HD11  LEU  19          HD11      LEU  19   4.814  31.763  -1.787
  164   HD12  LEU  19          HD12      LEU  19   4.590  33.472  -2.158
  165   HD13  LEU  19          HD13      LEU  19   6.126  32.685  -2.522
  166   HD21  LEU  19          HD21      LEU  19   5.614  31.527  -5.593
  167   HD22  LEU  19          HD22      LEU  19   5.108  30.227  -4.513
  168   HD23  LEU  19          HD23      LEU  19   6.460  31.268  -4.067
  169    H    LEU  20           H        LEU  20   0.291  30.710  -3.666
  170    HA   LEU  20           HA       LEU  20  -0.794  31.951  -5.988
  171    HB2  LEU  20           HB2      LEU  20  -0.866  29.437  -4.898
  172    HB3  LEU  20           HB3      LEU  20  -2.509  30.014  -4.627
  173    HG   LEU  20           HG       LEU  20  -1.755  30.575  -7.328
  174   HD11  LEU  20          HD11      LEU  20  -1.474  27.677  -6.553
  175   HD12  LEU  20          HD12      LEU  20  -0.134  28.737  -6.987
  176   HD13  LEU  20          HD13      LEU  20  -1.378  28.357  -8.177
  177   HD21  LEU  20          HD21      LEU  20  -3.787  29.546  -7.819
  178   HD22  LEU  20          HD22      LEU  20  -4.030  30.191  -6.195
  179   HD23  LEU  20          HD23      LEU  20  -3.692  28.474  -6.421
  180    H    GLY  21           H        GLY  21  -1.374  32.277  -2.620
  181    HA2  GLY  21           HA2      GLY  21  -4.079  33.224  -2.829
  182    HA3  GLY  21           HA3      GLY  21  -3.045  33.321  -1.411
  183    H    LEU  22           H        LEU  22  -0.905  34.698  -2.880
  184    HA   LEU  22           HA       LEU  22  -2.112  37.369  -2.849
  185    HB2  LEU  22           HB2      LEU  22   0.096  36.431  -1.586
  186    HB3  LEU  22           HB3      LEU  22   0.811  37.114  -3.045
  187    HG   LEU  22           HG       LEU  22  -1.021  39.005  -1.927
  188   HD11  LEU  22          HD11      LEU  22  -0.389  37.561   0.134
  189   HD12  LEU  22          HD12      LEU  22  -0.300  39.319   0.243
  190   HD13  LEU  22          HD13      LEU  22   1.170  38.375   0.004
  191   HD21  LEU  22          HD21      LEU  22   0.851  39.521  -3.407
  192   HD22  LEU  22          HD22      LEU  22   1.987  38.990  -2.167
  193   HD23  LEU  22          HD23      LEU  22   0.977  40.409  -1.889
  194    H    LYS  23           H        LYS  23  -0.452  35.105  -4.899
  195    HA   LYS  23           HA       LYS  23   0.134  37.004  -6.977
  196    HB2  LYS  23           HB2      LYS  23   1.470  34.933  -6.590
  197    HB3  LYS  23           HB3      LYS  23   0.089  33.985  -7.125
  198    HG2  LYS  23           HG2      LYS  23   0.793  34.167  -9.211
  199    HG3  LYS  23           HG3      LYS  23   0.589  35.918  -9.119
  200    HD2  LYS  23           HD2      LYS  23   3.056  34.416  -8.242
  201    HD3  LYS  23           HD3      LYS  23   2.873  35.242  -9.792
  202    HE2  LYS  23           HE2      LYS  23   2.351  37.330  -8.422
  203    HE3  LYS  23           HE3      LYS  23   2.966  36.434  -7.034
  204    HZ1  LYS  23           HZ1      LYS  23   4.441  37.883  -8.844
  205    HZ2  LYS  23           HZ2      LYS  23   4.754  36.269  -9.237
  206    HZ3  LYS  23           HZ3      LYS  23   5.041  36.828  -7.666
  207    H    ASP  24           H        ASP  24  -2.613  35.263  -5.997
  208    HA   ASP  24           HA       ASP  24  -3.860  35.553  -8.645
  209    HB2  ASP  24           HB2      ASP  24  -3.817  33.297  -7.360
  210    HB3  ASP  24           HB3      ASP  24  -5.074  34.022  -6.362
  211    H    GLN  25           H        GLN  25  -3.962  36.612  -5.350
  212    HA   GLN  25           HA       GLN  25  -6.551  37.898  -5.669
  213    HB2  GLN  25           HB2      GLN  25  -5.831  36.780  -3.526
  214    HB3  GLN  25           HB3      GLN  25  -4.664  38.080  -3.319
  215    HG2  GLN  25           HG2      GLN  25  -6.743  38.399  -2.029
  216    HG3  GLN  25           HG3      GLN  25  -6.409  39.708  -3.162
  217   HE21  GLN  25          HE21      GLN  25  -8.454  40.417  -3.467
  218   HE22  GLN  25          HE22      GLN  25  -9.708  39.474  -4.189
  219    H    VAL  26           H        VAL  26  -3.336  38.610  -6.315
  220    HA   VAL  26           HA       VAL  26  -3.007  41.264  -5.608
  221    HB   VAL  26           HB       VAL  26  -1.187  39.995  -6.572
  222   HG11  VAL  26          HG11      VAL  26  -1.124  39.500  -8.990
  223   HG12  VAL  26          HG12      VAL  26  -2.410  38.631  -8.150
  224   HG13  VAL  26          HG13      VAL  26  -2.794  40.051  -9.123
  225   HG21  VAL  26          HG21      VAL  26  -1.221  42.479  -6.784
  226   HG22  VAL  26          HG22      VAL  26  -0.249  41.668  -8.012
  227   HG23  VAL  26          HG23      VAL  26  -1.850  42.283  -8.420
  228    HN1  NH2  27           HN1      NH2  27  -4.975  39.853  -8.133
  229    HN2  NH2  27           HN2      NH2  27  -5.604  41.336  -8.770