*HEADER    CALCIUM-BINDING PROTEIN                 30-MAR-04   1SW8              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN N60D             
*TITLE    2 CALMODULIN REFINED WITH PARAMAGNETISM BASED STRATEGY                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALMODULIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN;                                         
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    CALCIUM, CALMODULIN, EF-HAND,NMR, LANTHANIDE                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    I.BERTINI, C.DEL BIANCO, I.GELIS, N.KATSAROS, C.LUCHINAT,             
*AUTHOR   2 G.PARIGI, M.PEANA, A.PROVENZANI, M.A.ZORODDU                         
*REVDAT   1   06-APR-04 1SW8    0                                                

  1 ALA  
         HN      2 ASP- HN      4.80                
         HN      3 GLN  HA      6.50                
         HN      3 GLN  QB      7.38                
         HN      6 GLU- HN      6.50                
         HA      2 ASP- QB      6.50                
         HA      3 GLN  HN      4.80                
         HA      3 GLN  QG      7.50                
         HA      4 LEU  HN      6.50                
         QB      3 GLN  HN      7.50                
         QB      4 LEU  HN      5.60                
         QB      4 LEU  HA      7.50                
         QB      4 LEU  QQD    10.07                
  2 ASP- 
         HN      3 GLN  HN      3.40                
         HN      3 GLN  HA      6.50                
         HN      3 GLN  QB      7.38                
         HN      3 GLN  QG      6.30                
         HN      4 LEU  HN      4.80                
         HN      4 LEU  QQD     9.07                
         HA      3 GLN  QB      6.28                
         QB      3 GLN  HA      6.80                
         QB      3 GLN  QG      8.50                
         QB      4 LEU  HN      7.50                
  3 GLN  
         HN      3 GLN  HB2     4.00                
         HN      3 GLN  HB3     4.00                
         HN      3 GLN  QB      3.75                
         HN      3 GLN  QG      4.60                
         HN      4 LEU  HN      3.80                
         HN      4 LEU  HA      6.50                
         HN      4 LEU  QB      5.38                
         HN      4 LEU  QQD     6.97                
         HN      5 THR  HN      6.50                
         HA      4 LEU  HN      3.60                
         HA      4 LEU  HA      5.60                
         HA      5 THR  HN      6.50                
         HB2     4 LEU  HN      4.70                
         HB3     4 LEU  HN      4.70                
         QB      4 LEU  HN      4.37                
         QB      4 LEU  QQD     9.95                
         QB      5 THR  HN      7.38                
         QB      5 THR  QG2     7.18                
         QB      6 GLU- HN      7.38                
         QG      4 LEU  HN      7.50                
         QG      4 LEU  QQD    10.07                
  4 LEU  
         HN      4 LEU  HG      6.50                
         HN      4 LEU  QQD     4.97                
         HN      5 THR  HN      5.60                
         HN      5 THR  HA      6.50                
         HN      5 THR  QG2     7.50                
         HA      5 THR  HN      3.60                
         HA      6 GLU- HN      4.30                
         HA      7 GLU- HN      6.50                
         HB2     5 THR  HN      4.70                
         HB3     5 THR  HN      4.70                
         QB      4 LEU  HG      2.68                
         QB      5 THR  HN      4.47                
         QB      5 THR  QG2     8.38                
         QB      6 GLU- HN      7.38                
         QB      7 GLU- HN      7.38                
         QB      8 GLN  QG      8.38                
         HG      7 GLU- QG      7.38                
         HG     73 ALA  HA      6.30                
         HG     73 ALA  QB      5.30                
         QD1    76 MET  HB2    10.64                
         QD1    76 MET  HB3    10.64                
         QD2    76 MET  HB2    10.64                
         QD2    76 MET  HB3    10.64                
         QQD     5 THR  HN      6.07                
         QQD     5 THR  HA      9.07                
         QQD     6 GLU- QB     10.07                
         QQD     6 GLU- QG     10.07                
         QQD     8 GLN  HN      9.07                
         QQD     8 GLN  QB      8.95                
         QQD     8 GLN  QG     10.07                
         QQD    12 PHE  QB     10.07                
         QQD    12 PHE  HE1     9.07                
         QQD    69 LEU  QQD    11.64                
         QQD    73 ALA  HA      7.57                
         QQD    73 ALA  QB      8.27                
         QQD    76 MET  QB      9.03                
         QQD    76 MET  QG      9.95                
  5 THR  
         HN      5 THR  HB      4.00                
         HN      6 GLU- HN      5.60                
         HN      7 GLU- HN      6.50                
         HN      7 GLU- QG      7.38                
         HN      8 GLN  HN      4.70                
         HN      8 GLN  QB      5.58                
         HN      8 GLN  QG      6.30                
         HN      9 ILE  HN      5.90                
         HN      9 ILE  QG1     6.38                
         HA      5 THR  QG2     3.60                
         HA      6 GLU- HA      6.50                
         HA      6 GLU- QB      7.50                
         HA      7 GLU- HN      4.90                
         HA      8 GLN  HN      5.10                
         HA      8 GLN  QG      6.50                
         HA      9 ILE  HN      6.50                
         HA      9 ILE  QD1     7.50                
         HB      6 GLU- HN      3.90                
         HB      6 GLU- QB      7.50                
         HB      7 GLU- HN      6.50                
         HB      7 GLU- QG      7.08                
         HB      8 GLN  HN      6.50                
         HB      9 ILE  QG1     6.78                
         QG2     6 GLU- HN      7.50                
         QG2     7 GLU- HN      7.50                
         QG2     8 GLN  HN      7.50                
         QG2     8 GLN  QB      7.48                
         QG2     8 GLN  QG      7.70                
         QG2     9 ILE  HN      7.50                
         QG2     9 ILE  QG1     6.38                
         QG2     9 ILE  QD1     7.40                
  6 GLU- 
         HN      6 GLU- QG      5.10                
         HN      7 GLU- HN      4.20                
         HN      7 GLU- HA      6.30                
         HN      7 GLU- QB      7.50                
         HN      7 GLU- HG2     4.70                
         HN      7 GLU- HG3     4.70                
         HN      8 GLN  HN      6.50                
         HN      9 ILE  HN      6.40                
         HN      9 ILE  QG2     7.50                
         HN      9 ILE  QG1     7.38                
         HN      9 ILE  QD1     7.50                
         HA      9 ILE  HN      4.60                
         HA      9 ILE  HB      6.50                
         HA      9 ILE  QG2     6.00                
         HA      9 ILE  HG12    6.20                
         HA      9 ILE  HG13    6.20                
         HA      9 ILE  QD1     7.50                
         HA     10 ALA  HN      4.90                
         QB      7 GLU- HA      5.50                
         QB      7 GLU- QG      5.68                
         QG      7 GLU- HA      7.50                
         QG      9 ILE  QG2     8.50                
         QG     10 ALA  HN      5.80                
         QG     10 ALA  QB      8.50                
  7 GLU- 
         HN      7 GLU- HG2     6.50                
         HN      7 GLU- HG3     6.50                
         HN      8 GLN  HN      4.00                
         HN      8 GLN  HA      5.80                
         HN      9 ILE  HN      6.50                
         HN      9 ILE  QG1     7.38                
         HN     10 ALA  HN      5.70                
         HA      8 GLN  HA      6.50                
         HA      9 ILE  HN      5.00                
         HA      9 ILE  QG2     7.50                
         HA     10 ALA  HN      5.00                
         HA     10 ALA  QB      7.50                
         HA     11 GLU- QG      7.38                
         QB      8 GLN  HA      6.00                
         QB      8 GLN  QB      7.38                
         QB     10 ALA  QB      6.30                
         HG2    10 ALA  QB      7.50                
         HG3    10 ALA  QB      7.50                
         QG      9 ILE  HN      6.38                
  8 GLN  
         HN      8 GLN  QG      7.50                
         HN      9 ILE  HN      4.20                
         HN      9 ILE  HA      6.20                
         HN      9 ILE  QG2     7.50                
         HN      9 ILE  HG12    6.50                
         HN      9 ILE  HG13    6.50                
         HN      9 ILE  QG1     5.65                
         HN     10 ALA  HN      6.50                
         HN     10 ALA  QB      7.50                
         HA      8 GLN  QG      3.40                
         HA     10 ALA  HN      6.50                
         HA     11 GLU- HN      4.40                
         HA     11 GLU- QB      7.38                
         HA     12 PHE  HN      6.10                
         QB      9 ILE  QG1     6.65                
         QB     10 ALA  HN      5.38                
         QG      9 ILE  HN      5.60                
         QG     11 GLU- QB      8.38                
  9 ILE  
         HN      9 ILE  HB      3.60                
         HN      9 ILE  HG12    3.50                
         HN      9 ILE  HG13    3.50                
         HN      9 ILE  QG1     3.29                
         HN      9 ILE  QD1     7.50                
         HN     10 ALA  HN      3.90                
         HN     10 ALA  QB      7.50                
         HN     11 GLU- HN      6.10                
         HN     12 PHE  HN      5.00                
         HA      9 ILE  QG2     3.40                
         HA      9 ILE  QG1     3.94                
         HA      9 ILE  QD1     4.70                
         HA     11 GLU- HN      6.50                
         HA     12 PHE  HN      4.60                
         HA     12 PHE  QB      5.80                
         HA     12 PHE  HD1     5.70                
         HA     13 LYS+ HN      5.80                
         HA     69 LEU  QQD     8.47                
         HB     10 ALA  HN      6.50                
         QG2    10 ALA  HN      5.10                
         QG2    10 ALA  QB      8.50                
         QG2    12 PHE  HN      7.50                
         QG2    12 PHE  QB      8.50                
         QG2    13 LYS+ QE      7.88                
         QG2    69 LEU  QQD     8.57                
         QG1    10 ALA  HN      4.78                
         QG1    12 PHE  QB      8.38                
         QG1    13 LYS+ QE      8.25                
         QG1    69 LEU  QQD     9.35                
         QD1    10 ALA  HN      7.50                
         QD1    13 LYS+ HN      6.80                
         QD1    13 LYS+ QE      8.38                
         QD1    69 LEU  QQD     9.27                
 10 ALA  
         HN     10 ALA  QB      3.40                
         HN     11 GLU- HN      3.70                
         HN     12 PHE  HN      4.40                
         HN     13 LYS+ HN      5.30                
         HA     11 GLU- QG      7.38                
         HA     12 PHE  HN      4.80                
         HA     12 PHE  QB      7.50                
         HA     13 LYS+ HN      6.50                
         HA     13 LYS+ QB      5.10                
         HA     13 LYS+ HG2     6.50                
         HA     13 LYS+ HG3     6.50                
         HA     13 LYS+ QG      6.19                
         HA     13 LYS+ HD2     6.50                
         HA     13 LYS+ HD3     6.50                
         HA     13 LYS+ QD      6.19                
         QB     11 GLU- HN      3.40                
         QB     11 GLU- HA      7.50                
         QB     11 GLU- QB      7.18                
         QB     11 GLU- QG      7.98                
         QB     12 PHE  HN      5.60                
         QB     13 LYS+ HN      5.60                
 11 GLU- 
         HN     11 GLU- HG2     6.50                
         HN     11 GLU- HG3     6.50                
         HN     12 PHE  HN      3.80                
         HN     12 PHE  HA      5.50                
         HN     12 PHE  QB      7.50                
         HN     12 PHE  HD1     6.50                
         HN     13 LYS+ HN      4.40                
         HN     14 GLU- QB      7.38                
         HA     11 GLU- HG2     2.90                
         HA     11 GLU- HG3     2.90                
         HA     11 GLU- QG      2.61                
         HA     14 GLU- QB      7.38                
         HA     15 ALA  HN      6.50                
         QG     12 PHE  HN      6.28                
 12 PHE  
         HN     12 PHE  HD1     3.80                
         HN     12 PHE  HE1     5.40                
         HN     13 LYS+ HN      4.10                
         HN     13 LYS+ HA      5.40                
         HN     13 LYS+ QB      5.10                
         HN     14 GLU- QB      7.38                
         HN     15 ALA  HN      5.90                
         HN     16 PHE  HN      6.50                
         HA     12 PHE  HD1     6.50                
         HA     15 ALA  HN      4.50                
         HA     15 ALA  QB      3.40                
         HA     16 PHE  HN      6.30                
         QB     13 LYS+ QB      8.50                
         QB     15 ALA  QB      8.50                
         QB     16 PHE  HN      7.20                
         QB     16 PHE  QB      8.38                
         QB     65 PHE  HZ      7.50                
         QB     68 PHE  HE1     7.50                
         QB     69 LEU  QQD     8.97                
         HD1    15 ALA  HN      6.50                
         HD1    15 ALA  QB      5.10                
         HD1    16 PHE  HN      6.50                
         HD1    69 LEU  HA      6.50                
 13 LYS+ 
         HN     13 LYS+ QG      4.98                
         HN     13 LYS+ QD      7.38                
         HN     14 GLU- HN      4.10                
         HN     14 GLU- QB      6.28                
         HN     15 ALA  HN      6.10                
         HN     16 PHE  HN      5.90                
         HN     65 PHE  HE1     4.70                
         HN     65 PHE  HZ      4.90                
         HA     13 LYS+ QD      5.08                
         HA     13 LYS+ QE      7.38                
         HA     15 ALA  HN      5.40                
         HA     16 PHE  HB2     6.30                
         HA     16 PHE  HB3     6.30                
         HA     16 PHE  HD1     6.50                
         HA     65 PHE  HE1     5.40                
         HA     65 PHE  HZ      6.50                
         QB     13 LYS+ QE      6.58                
         QB     14 GLU- QB      6.58                
         QB     65 PHE  HZ      7.50                
         QG     16 PHE  QB      8.25                
         QG     17 SER  HN      7.38                
         QG     65 PHE  HE1     7.38                
 14 GLU- 
         HN     14 GLU- QG      7.50                
         HN     15 ALA  HN      3.80                
         HN     16 PHE  HN      5.70                
         HA     14 GLU- QG      3.70                
         HA     18 LEU  HG      6.50                
         QB     15 ALA  QB      8.38                
         QG     17 SER  QB      8.50                
         QG     18 LEU  QQD     9.47                
 15 ALA  
         HN     16 PHE  HN      4.40                
         HN     16 PHE  QB      7.38                
         HN     18 LEU  HN      6.50                
         HN     18 LEU  QQD     9.07                
         HA     16 PHE  HA      6.50                
         HA     17 SER  HN      6.50                
         HA     18 LEU  HN      4.60                
         HA     18 LEU  QB      4.98                
         HA     18 LEU  HG      6.20                
         HA     18 LEU  QQD     8.77                
         QB     16 PHE  HN      3.40                
         QB     16 PHE  HA      7.50                
         QB     17 SER  HN      7.50                
         QB     18 LEU  HN      7.50                
         QB     18 LEU  QB      6.08                
         QB     18 LEU  QQD    10.07                
 16 PHE  
         HN     16 PHE  HD1     6.50                
         HN     17 SER  HN      3.90                
         HN     17 SER  HA      6.00                
         HN     17 SER  QB      6.20                
         HN     18 LEU  HN      5.60                
         HN     19 PHE  HN      6.50                
         HN     65 PHE  HD1     6.50                
         HA     16 PHE  HD1     6.50                
         HA     16 PHE  HE1     6.50                
         HA     18 LEU  HN      6.50                
         HA     19 PHE  HN      5.90                
         HA     19 PHE  QB      7.20                
         HA     20 ASP- HN      6.40                
         HA     27 ILE  QD1     7.20                
         HB2    17 SER  HN      4.70                
         HB2    17 SER  QB      7.50                
         HB2    65 PHE  HE1     6.50                
         HB3    17 SER  HN      4.70                
         HB3    17 SER  QB      7.50                
         HB3    65 PHE  HE1     6.50                
         QB     17 SER  HA      6.78                
         QB     18 LEU  HN      7.38                
         QB     65 PHE  HE1     6.15                
         QB     68 PHE  HD1     7.38                
         HD1    17 SER  HN      5.30                
         HD1    17 SER  HA      6.50                
         HD1    17 SER  QB      7.50                
         HD1    20 ASP- HN      5.80                
         HD1    68 PHE  HB2     6.20                
         HD1    68 PHE  HB3     6.20                
         HE1    20 ASP- HN      6.50                
         HE1    25 GLY  HN      6.50                
         HE1    25 GLY  HA1     5.90                
         HE1    25 GLY  HA2     5.90                
         HE1    26 THR  HN      6.50                
         HE1    26 THR  HA      6.50                
         HE1    27 ILE  HN      6.50                
         HE1    64 ASP- HA      6.50                
         HE1    65 PHE  HN      6.50                
 17 SER  
         HN     18 LEU  HN      4.10                
         HN     19 PHE  HN      6.00                
         HN     20 ASP- HN      6.50                
         HN     20 ASP- QB      7.38                
         HA     20 ASP- HN      4.40                
         HA     20 ASP- HB2     5.70                
         HA     20 ASP- HB3     5.70                
         HA     20 ASP- QB      5.43                
         QB     23 GLY  QA      8.38                
 18 LEU  
         HN     18 LEU  HB2     4.00                
         HN     18 LEU  HB3     4.00                
         HN     18 LEU  QB      3.75                
         HN     18 LEU  HG      3.50                
         HN     18 LEU  QD1     7.50                
         HN     18 LEU  QD2     7.50                
         HN     18 LEU  QQD     5.98                
         HN     19 PHE  HN      3.80                
         HN     20 ASP- HN      4.70                
         HA     19 PHE  HA      5.00                
         HA     21 LYS+ QG      7.38                
         HA     21 LYS+ QD      6.30                
         HA     35 VAL  HA      6.50                
         HA     35 VAL  QQG     9.06                
         HB2    19 PHE  HN      4.90                
         HB2    19 PHE  HA      5.50                
         HB2    35 VAL  QG1     9.25                
         HB2    35 VAL  QG2     9.25                
         HB3    19 PHE  HN      4.90                
         HB3    19 PHE  HA      5.50                
         HB3    35 VAL  QG1     9.25                
         HB3    35 VAL  QG2     9.25                
         QB     19 PHE  HA      5.09                
         QB     35 VAL  QQG     7.44                
         HG     19 PHE  HN      4.80                
         HG     35 VAL  QQG     7.86                
         QD1    19 PHE  HN      6.20                
         QD2    19 PHE  HN      6.20                
         QQD    19 PHE  HN      5.74                
         QQD    19 PHE  HA      8.67                
         QQD    35 VAL  HB      9.07                
         QQD    35 VAL  QQG    11.53                
         QQD    38 SER  HN      9.07                
         QQD    38 SER  QB      8.65                
         QQD    39 LEU  HG      9.07                
 19 PHE  
         HN     20 ASP- HN      3.80                
         HN     20 ASP- QB      6.38                
         HN     21 LYS+ HN      6.30                
         HN     27 ILE  QD1     7.50                
         HN     35 VAL  HB      6.50                
         HA     20 ASP- HA      6.20                
         HA     21 LYS+ HN      6.50                
         HA     21 LYS+ HA      6.50                
         HA     21 LYS+ HG2     6.50                
         HA     21 LYS+ HG3     6.50                
         HA     21 LYS+ QD      7.50                
         HA     35 VAL  QQG     7.36                
         QB     20 ASP- HA      6.20                
         QB     21 LYS+ QE      8.50                
         QB     27 ILE  QG2     8.50                
         QB     27 ILE  QD1     5.70                
 20 ASP- 
         HN     20 ASP- HB2     4.10                
         HN     20 ASP- HB3     4.10                
         HN     20 ASP- QB      3.90                
         HN     21 LYS+ HN      4.30                
         HN     21 LYS+ HA      6.50                
         HN     27 ILE  QG2     7.50                
         HN     27 ILE  QD1     7.50                
         HA     21 LYS+ HA      6.00                
         HA     21 LYS+ HG2     6.50                
         HA     21 LYS+ HG3     6.50                
         HA     21 LYS+ QD      7.50                
         HA     22 ASP- HN      4.40                
         HA     27 ILE  HA      6.40                
         HA     27 ILE  HB      6.50                
         HA     27 ILE  QG2     7.50                
         HA     27 ILE  QD1     7.50                
         HB2    22 ASP- HN      6.50                
         HB2    23 GLY  HN      6.00                
         HB3    22 ASP- HN      6.50                
         HB3    23 GLY  HN      6.00                
         QB     21 LYS+ QG      8.25                
         QB     21 LYS+ QE      8.38                
         QB     22 ASP- HN      6.00                
         QB     22 ASP- HA      7.38                
         QB     23 GLY  HN      5.84                
         QB     25 GLY  HN      7.38                
         QB     27 ILE  QG1     7.88                
         QB     27 ILE  QD1     7.08                
 21 LYS+ 
         HN     21 LYS+ HG2     3.60                
         HN     21 LYS+ HG3     3.60                
         HN     21 LYS+ QG      3.39                
         HN     21 LYS+ QD      5.30                
         HN     21 LYS+ QE      7.50                
         HN     22 ASP- HN      4.10                
         HN     22 ASP- QB      5.88                
         HN     27 ILE  QG2     7.50                
         HN     27 ILE  QG1     7.50                
         HN     27 ILE  QD1     6.80                
         HN     31 GLU- HN      6.50                
         HN     31 GLU- QG      6.90                
         HA     21 LYS+ QG      3.58                
         HA     21 LYS+ QD      7.50                
         HA     23 GLY  HN      6.50                
         HA     35 VAL  QQG     9.06                
         QB     22 ASP- HN      5.30                
         QB     22 ASP- HA      6.90                
         QB     23 GLY  HN      7.10                
         HG2    27 ILE  QG1     7.50                
         HG2    28 THR  HB      6.50                
         HG2    35 VAL  QG1     9.25                
         HG2    35 VAL  QG2     9.25                
         HG3    27 ILE  QG1     7.50                
         HG3    28 THR  HB      6.50                
         HG3    35 VAL  QG1     9.25                
         HG3    35 VAL  QG2     9.25                
         QG     22 ASP- HN      7.38                
         QG     31 GLU- QG      8.38                
         QG     34 THR  HB      7.38                
         QG     35 VAL  QQG     8.23                
         QD     22 ASP- HN      6.50                
         QD     31 GLU- QB      7.80                
         QD     32 LEU  HA      7.50                
         QD     35 VAL  HB      7.50                
         QE     27 ILE  QD1     8.50                
         QE     32 LEU  QB      8.38                
         QE     34 THR  HA      7.50                
         QE     34 THR  HB      7.50                
         QE     34 THR  QG2     8.40                
         QE     35 VAL  QQG     9.66                
 22 ASP- 
         HN     22 ASP- HB2     4.10                
         HN     22 ASP- HB3     4.10                
         HN     22 ASP- QB      3.81                
         HN     23 GLY  HN      3.30                
         HN     23 GLY  QA      5.68                
         HN     24 ASP- HN      6.50                
         HN     24 ASP- QB      7.38                
         HN     26 THR  HN      6.50                
         HN     28 THR  HN      6.50                
         HN     31 GLU- QG      7.50                
         HA     23 GLY  HA1     5.30                
         HA     23 GLY  HA2     5.30                
         HA     23 GLY  QA      5.13                
         HA     24 ASP- HN      5.90                
         HB2    23 GLY  HN      5.50                
         HB3    23 GLY  HN      5.50                
         QB     24 ASP- HN      7.38                
         QB     24 ASP- QB      8.25                
         QB     28 THR  HN      5.48                
 23 GLY  
         HN     24 ASP- HN      4.20                
         HN     24 ASP- HA      5.80                
         HN     24 ASP- HB2     6.50                
         HN     24 ASP- HB3     6.50                
         HN     25 GLY  HN      5.40                
         HN     25 GLY  QA      7.28                
         HN     26 THR  HN      6.50                
         HA1    25 GLY  HN      6.50                
         HA2    25 GLY  HN      6.50                
         QA     24 ASP- HA      5.98                
 24 ASP- 
         HN     25 GLY  HN      3.90                
         HN     25 GLY  HA1     5.20                
         HN     25 GLY  HA2     5.20                
         HN     26 THR  HN      4.60                
         HN     26 THR  QG2     7.50                
         HA     25 GLY  QA      7.28                
         HA     26 THR  HN      5.60                
         HB2    25 GLY  HN      6.50                
         HB2    26 THR  HN      6.50                
         HB3    25 GLY  HN      6.50                
         HB3    26 THR  HN      6.50                
         QB     25 GLY  QA      8.25                
         QB     26 THR  HB      7.38                
         QB     26 THR  QG2     8.38                
 25 GLY  
         HN     26 THR  HN      3.80                
         HN     26 THR  HA      6.50                
         HN     26 THR  QG2     7.50                
         HN     27 ILE  HN      6.50                
         HA1    26 THR  QG2     7.50                
         HA2    26 THR  QG2     7.50                
 26 THR  
         HN     26 THR  QG2     4.40                
         HN     27 ILE  HN      5.90                
         HN     27 ILE  HA      6.50                
         HA     26 THR  QG2     3.50                
         HA     27 ILE  HA      5.10                
         HA     27 ILE  QG1     7.50                
         HA     27 ILE  QD1     7.50                
         HA     64 ASP- QB      7.38                
         HA     65 PHE  HN      6.50                
         HB     27 ILE  HN      4.70                
         HB     27 ILE  HA      4.90                
         HB     27 ILE  QG1     7.50                
         HB     27 ILE  QD1     7.50                
         HB     28 THR  HB      6.00                
         HB     28 THR  QG2     7.50                
         HB     64 ASP- HA      6.50                
         QG2    27 ILE  HN      5.20                
         QG2    27 ILE  HA      6.80                
         QG2    28 THR  HN      7.50                
         QG2    64 ASP- HA      6.80                
         QG2    65 PHE  HN      7.50                
 27 ILE  
         HN     27 ILE  QG2     4.60                
         HN     27 ILE  QG1     5.60                
         HN     27 ILE  QD1     4.50                
         HN     28 THR  HN      6.10                
         HN     63 ILE  HN      6.50                
         HN     63 ILE  HB      4.90                
         HN     63 ILE  QG1     7.38                
         HN     64 ASP- HA      6.50                
         HA     27 ILE  QD1     3.60                
         HA     31 GLU- HN      6.50                
         HA     31 GLU- QB      6.90                
         HB     27 ILE  QD1     3.50                
         HB     28 THR  HN      5.00                
         HB     63 ILE  HN      4.20                
         HB     63 ILE  HB      4.60                
         HB     63 ILE  QG1     7.28                
         HB     65 PHE  HN      6.50                
         QG2    28 THR  HN      7.50                
         QG2    31 GLU- HN      7.50                
         QG2    31 GLU- QB      7.10                
         QG2    32 LEU  HA      7.40                
         QG2    32 LEU  QB      8.38                
         QG2    35 VAL  HB      6.70                
         QG1    31 GLU- QB      8.50                
         QG1    32 LEU  QB      8.08                
         QG1    35 VAL  QQG     8.66                
         QD1    28 THR  HN      5.70                
         QD1    63 ILE  HB      6.20                
         QD1    63 ILE  QG2     7.70                
         QD1    63 ILE  QD1     8.50                
         QD1    64 ASP- HA      7.50                
         QD1    68 PHE  HE1     7.50                
 28 THR  
         HN     30 LYS+ QG      7.38                
         HN     30 LYS+ QD      7.50                
         HN     31 GLU- HN      4.80                
         HN     31 GLU- QB      5.60                
         HN     31 GLU- QG      7.50                
         HN     32 LEU  HN      5.10                
         HN     62 THR  QG2     7.50                
         HA     29 THR  HA      5.10                
         HA     29 THR  QG2     7.50                
         HA     30 LYS+ HN      4.50                
         HA     31 GLU- HN      5.30                
         HA     62 THR  HB      6.50                
         HA     62 THR  QG2     6.90                
         HA     63 ILE  HN      6.50                
         HB     29 THR  HN      4.30                
         HB     30 LYS+ HB2     6.50                
         HB     30 LYS+ HB3     6.50                
         HB     30 LYS+ QG      7.38                
         HB     31 GLU- HA      4.90                
         HB     31 GLU- QG      7.50                
         HB     32 LEU  HN      6.50                
         HB     62 THR  QG2     5.30                
         QG2    62 THR  QG2     7.30                
 29 THR  
         HN     29 THR  QG2     3.50                
         HN     30 LYS+ HN      4.50                
         HN     30 LYS+ QB      5.98                
         HN     30 LYS+ QG      7.38                
         HN     30 LYS+ QD      7.50                
         HN     31 GLU- HN      6.50                
         HN     32 LEU  QQD     9.07                
         HN     52 ILE  QG2     7.50                
         HN     62 THR  HA      6.50                
         HN     62 THR  QG2     5.60                
         HN     63 ILE  HN      6.50                
         HA     29 THR  QG2     3.40                
         HA     30 LYS+ QG      6.38                
         HA     31 GLU- HN      5.70                
         HA     32 LEU  HN      5.30                
         HA     32 LEU  HA      5.50                
         HA     32 LEU  HB2     6.50                
         HA     32 LEU  HB3     6.50                
         HA     32 LEU  QB      6.10                
         HA     33 GLY  HN      5.70                
         HA     48 LEU  HG      6.50                
         HA     52 ILE  HA      6.50                
         HA     52 ILE  HB      6.50                
         HA     62 THR  HA      5.70                
         HA     63 ILE  QG1     7.38                
         HA     63 ILE  QD1     5.20                
         HB     30 LYS+ QG      6.68                
         HB     32 LEU  HN      6.50                
         HB     48 LEU  QB      7.18                
         HB     52 ILE  HB      6.50                
         HB     63 ILE  QG1     6.18                
         QG2    30 LYS+ HN      4.50                
         QG2    32 LEU  QB      7.08                
         QG2    52 ILE  HA      7.50                
         QG2    52 ILE  QG2     5.90                
         QG2    52 ILE  QG1     6.38                
         QG2    52 ILE  QD1     8.50                
         QG2    62 THR  HN      6.10                
 30 LYS+ 
         HN     30 LYS+ HB2     3.70                
         HN     30 LYS+ HB3     3.70                
         HN     30 LYS+ HG2     4.10                
         HN     30 LYS+ HG3     4.10                
         HN     30 LYS+ QG      3.81                
         HN     30 LYS+ QD      5.50                
         HN     31 GLU- QB      5.50                
         HN     31 GLU- QG      6.70                
         HN     32 LEU  HN      6.50                
         HN     32 LEU  QQD     9.07                
         HN     33 GLY  HN      5.40                
         HN     52 ILE  QG2     7.50                
         HB2    31 GLU- HN      6.50                
         HB3    31 GLU- HN      6.50                
         QB     31 GLU- HA      7.38                
         QB     31 GLU- QG      8.38                
         HG2    31 GLU- HN      5.40                
         HG3    31 GLU- HN      5.40                
         QG     31 GLU- HN      4.85                
         QG     34 THR  HA      7.38                
         QD     31 GLU- HN      7.00                
         QD     31 GLU- QB      8.50                
 31 GLU- 
         HN     31 GLU- QG      4.80                
         HN     32 LEU  HN      4.20                
         HN     32 LEU  QB      5.88                
         HN     33 GLY  HN      6.40                
         HN     34 THR  HN      6.50                
         HN     34 THR  QG2     7.50                
         HA     34 THR  HN      6.50                
         HA     34 THR  HB      6.50                
         QB     32 LEU  QB      6.58                
         QB     34 THR  HB      7.50                
         QG     32 LEU  HN      7.00                
         QG     34 THR  HN      7.00                
 32 LEU  
         HN     32 LEU  HB2     4.10                
         HN     32 LEU  HB3     4.10                
         HN     32 LEU  QQD     5.07                
         HN     33 GLY  HN      4.60                
         HN     33 GLY  HA1     6.50                
         HN     33 GLY  HA2     6.50                
         HN     34 THR  HN      4.70                
         HN     34 THR  QG2     7.50                
         HN     35 VAL  HN      6.50                
         HN     35 VAL  QQG     9.06                
         HN     36 MET  QG      7.38                
         HN     45 GLU- QB      6.70                
         HA     34 THR  HN      6.50                
         HA     35 VAL  HN      4.50                
         HB2    33 GLY  HN      4.70                
         HB3    33 GLY  HN      4.70                
         QB     33 GLY  HN      4.42                
         QB     34 THR  HN      7.38                
         QB     52 ILE  QG2     8.38                
         QD1    51 MET  HB2     9.25                
         QD1    51 MET  HB3     9.25                
         QD1    51 MET  HG2     8.15                
         QD1    51 MET  HG3     8.15                
         QD2    51 MET  HB2     9.25                
         QD2    51 MET  HB3     9.25                
         QD2    51 MET  HG2     8.15                
         QD2    51 MET  HG3     8.15                
         QQD    33 GLY  HN      5.77                
         QQD    34 THR  HN      9.07                
         QQD    34 THR  HA      9.07                
         QQD    35 VAL  HB      9.07                
         QQD    36 MET  QB      7.35                
         QQD    51 MET  QB      7.61                
         QQD    51 MET  QG      6.85                
         QQD    52 ILE  QD1    10.07                
 33 GLY  
         HN     34 THR  HN      4.20                
         HN     34 THR  HB      5.80                
         HN     34 THR  QG2     7.50                
         HN     35 VAL  HN      5.30                
         HN     35 VAL  HB      6.50                
         HN     48 LEU  HG      6.50                
         HN     48 LEU  QQD     9.07                
         HA1    36 MET  HN      6.50                
         HA1    43 PRO  QG      7.50                
         HA1    48 LEU  QD1     8.44                
         HA1    48 LEU  QD2     8.44                
         HA2    36 MET  HN      6.50                
         HA2    43 PRO  QG      7.50                
         HA2    48 LEU  QD1     8.44                
         HA2    48 LEU  QD2     8.44                
         QA     34 THR  HA      6.78                
         QA     36 MET  HN      6.19                
         QA     37 ARG+ HN      7.08                
         QA     48 LEU  QQD     6.71                
 34 THR  
         HN     34 THR  HB      3.70                
         HN     34 THR  QG2     4.70                
         HN     35 VAL  HN      4.00                
         HN     35 VAL  HA      6.50                
         HN     35 VAL  HB      6.50                
         HN     35 VAL  QQG     7.36                
         HN     36 MET  HN      6.50                
         HN     36 MET  QG      6.48                
         HN     37 ARG+ HN      6.50                
         HA     34 THR  QG2     3.60                
         HA     37 ARG+ HN      5.30                
         HA     37 ARG+ HA      6.50                
         HA     37 ARG+ QB      6.10                
         HA     37 ARG+ HD2     6.50                
         HA     37 ARG+ HD3     6.50                
         HA     38 SER  HN      6.50                
         HB     35 VAL  HN      4.00                
         HB     35 VAL  HA      6.50                
         HB     35 VAL  HB      6.50                
         HB     35 VAL  QQG     7.36                
         HB     36 MET  HN      6.20                
         HB     36 MET  QG      7.38                
         QG2    35 VAL  HN      4.80                
         QG2    36 MET  HN      7.50                
         QG2    37 ARG+ QG      7.90                
         QG2    37 ARG+ QD      8.38                
         QG2    38 SER  HN      5.90                
 35 VAL  
         HN     35 VAL  HB      3.60                
         HN     36 MET  HN      4.30                
         HN     36 MET  HG2     5.60                
         HN     36 MET  HG3     5.60                
         HN     36 MET  QG      5.38                
         HN     38 SER  HN      5.20                
         HN     39 LEU  QQD     9.07                
         HA     37 ARG+ HN      6.50                
         HA     38 SER  HN      6.50                
         HA     38 SER  HB2     6.50                
         HA     38 SER  HB3     6.50                
         HB     36 MET  HN      3.80                
         HB     36 MET  HA      6.50                
         HB     36 MET  QG      7.38                
         HB     38 SER  HN      6.50                
         HB     39 LEU  HN      6.50                
         QG1    36 MET  HN      5.90                
         QG1    36 MET  HA      7.50                
         QG1    36 MET  HG2     9.25                
         QG1    36 MET  HG3     9.25                
         QG1    39 LEU  HN      7.50                
         QG2    36 MET  HN      5.90                
         QG2    36 MET  HA      7.50                
         QG2    36 MET  HG2     9.25                
         QG2    36 MET  HG3     9.25                
         QG2    39 LEU  HN      7.50                
         QQG    36 MET  HN      5.49                
         QQG    36 MET  HA      6.66                
         QQG    36 MET  QG      8.23                
         QQG    37 ARG+ HN      9.06                
         QQG    38 SER  HN      9.06                
         QQG    39 LEU  HN      6.99                
         QQG    39 LEU  HG      9.06                
         QQG    39 LEU  QQD    10.33                
 36 MET  
         HN     36 MET  HG2     3.80                
         HN     36 MET  HG3     3.80                
         HN     36 MET  QG      3.55                
         HN     37 ARG+ HN      4.50                
         HN     39 LEU  HG      5.90                
         HN     39 LEU  QQD     7.17                
         HN     68 PHE  HE1     7.50                
         HA     36 MET  QG      3.65                
         HA     41 GLN  HN      6.50                
         HB2    37 ARG+ HN      6.50                
         HB2    38 SER  HB2     8.25                
         HB2    38 SER  HB3     8.25                
         HB3    37 ARG+ HN      6.50                
         HB3    38 SER  HB2     8.25                
         HB3    38 SER  HB3     8.25                
         QB     37 ARG+ HA      7.38                
         QB     38 SER  QB      7.13                
         HG2    41 GLN  HB2     7.95                
         HG2    41 GLN  HB3     7.95                
         HG2    48 LEU  QD1    10.64                
         HG2    48 LEU  QD2    10.64                
         HG3    41 GLN  HB2     7.95                
         HG3    41 GLN  HB3     7.95                
         HG3    48 LEU  QD1    10.64                
         HG3    48 LEU  QD2    10.64                
         QG     37 ARG+ HN      6.08                
         QG     37 ARG+ QG      8.38                
         QG     39 LEU  QQD     9.95                
         QG     41 GLN  QB      6.97                
         QG     41 GLN  QG      8.38                
         QG     43 PRO  QB      8.38                
         QG     43 PRO  QG      8.38                
         QG     43 PRO  QD      8.25                
         QG     48 LEU  QQD     9.03                
 37 ARG+ 
         HN     37 ARG+ QD      4.98                
         HN     38 SER  HN      3.70                
         HN     38 SER  QB      7.38                
         HN     39 LEU  HN      6.10                
         HN     39 LEU  HG      6.50                
         HN     39 LEU  QQD     9.07                
         HN     41 GLN  HN      6.00                
         HN     41 GLN  QB      7.38                
         HN     42 ASN  HA      6.50                
         HN     43 PRO  QD      7.38                
         HA     37 ARG+ QD      4.18                
         HA     39 LEU  HN      5.90                
         HA     40 GLY  HN      5.00                
         HA     40 GLY  QA      7.38                
         HA     41 GLN  HN      4.20                
         HA     41 GLN  HA      6.50                
         HA     42 ASN  HA      6.50                
         HA     42 ASN  QD2     7.37                
         HA     43 PRO  QD      7.38                
         QB     37 ARG+ HD2     4.00                
         QB     37 ARG+ HD3     4.00                
         QB     38 SER  HA      7.50                
         QB     38 SER  QB      7.38                
         QB     39 LEU  HN      6.20                
         QB     40 GLY  HN      7.50                
         QB     42 ASN  QD2     8.37                
         QG     41 GLN  HN      7.50                
         HD2    38 SER  HN      6.50                
         HD2    42 ASN  HD21    8.23                
         HD2    42 ASN  HD22    8.23                
         HD3    38 SER  HN      6.50                
         HD3    42 ASN  HD21    8.23                
         HD3    42 ASN  HD22    8.23                
         QD     42 ASN  HA      7.38                
         QD     42 ASN  QD2     7.26                
         QD     43 PRO  QD      8.25                
 38 SER  
         HN     38 SER  HB2     3.50                
         HN     38 SER  HB3     3.50                
         HN     39 LEU  HN      4.80                
         HN     39 LEU  HA      6.50                
         HN     39 LEU  QB      7.50                
         HN     39 LEU  HG      4.80                
         HN     39 LEU  QQD     9.07                
         HN     40 GLY  HN      6.50                
         HN     40 GLY  QA      7.38                
         HA     39 LEU  HG      6.50                
         HA     40 GLY  HN      5.70                
         HA     40 GLY  QA      7.38                
         HB2    40 GLY  HN      6.50                
         HB3    40 GLY  HN      6.50                
         QB     39 LEU  QQD     7.35                
         QB     40 GLY  HN      6.19                
 39 LEU  
         HN     39 LEU  HG      3.30                
         HN     39 LEU  QQD     5.47                
         HN     40 GLY  HN      4.00                
         HN     40 GLY  QA      6.68                
         HN     41 GLN  HN      4.60                
         HN     41 GLN  HB2     6.50                
         HN     41 GLN  HB3     6.50                
         HN     41 GLN  QG      7.50                
         HN     42 ASN  QD2     7.37                
         HA     39 LEU  HG      3.90                
         HA     39 LEU  QD1     4.50                
         HA     39 LEU  QD2     4.50                
         HA     39 LEU  QQD     3.67                
         HA     40 GLY  QA      4.68                
         HA     41 GLN  QG      7.00                
         QB     40 GLY  HN      7.50                
         QQD    40 GLY  HN      6.37                
         QQD    41 GLN  HN      7.17                
         QQD    68 PHE  HZ      9.07                
 40 GLY  
         HN     41 GLN  QG      7.50                
         HN     42 ASN  QB      8.38                
         HN     42 ASN  QD2     7.37                
 41 GLN  
         HN     41 GLN  QG      7.50                
         HN     42 ASN  HN      6.40                
         HN     43 PRO  HD2     6.50                
         HN     43 PRO  HD3     6.50                
         HA     42 ASN  HA      6.10                
         HA     42 ASN  QB      5.68                
         HA     43 PRO  QG      7.50                
         HA     43 PRO  HD2     6.50                
         HA     43 PRO  HD3     6.50                
         HB2    42 ASN  HN      5.60                
         HB2    42 ASN  HA      6.50                
         HB2    43 PRO  HD2     6.50                
         HB2    43 PRO  HD3     6.50                
         HB3    42 ASN  HN      5.60                
         HB3    42 ASN  HA      6.50                
         HB3    43 PRO  HD2     6.50                
         HB3    43 PRO  HD3     6.50                
         QB     42 ASN  HA      6.34                
         QB     43 PRO  QG      8.38                
         QB     43 PRO  QD      6.07                
         QG     42 ASN  HN      6.30                
         QG     42 ASN  HB2     7.50                
         QG     42 ASN  HB3     7.50                
         QG     43 PRO  QB      8.50                
         QG     43 PRO  QG      8.50                
         QG     43 PRO  HD2     7.30                
         QG     43 PRO  HD3     7.30                
         QG     43 PRO  QD      6.95                
 42 ASN  
         HN     43 PRO  QG      6.20                
         HN     43 PRO  HD2     5.20                
         HN     43 PRO  HD3     5.20                
         HA     43 PRO  HA      4.70                
         HB2    43 PRO  HD2     8.25                
         HB2    43 PRO  HD3     8.25                
         HB3    43 PRO  HD2     8.25                
         HB3    43 PRO  HD3     8.25                
         QB     43 PRO  QD      7.32                
         QB     44 THR  HN      7.38                
         QD2    43 PRO  HA      7.37                
 43 PRO  
         HA     44 THR  QG2     7.50                
         HA     48 LEU  HG      6.50                
         HB2    48 LEU  QD1    10.14                
         HB2    48 LEU  QD2    10.14                
         HB3    48 LEU  QD1    10.14                
         HB3    48 LEU  QD2    10.14                
         QB     44 THR  HA      7.38                
         QB     48 LEU  QB      8.18                
         QB     48 LEU  HG      4.48                
         QB     48 LEU  QQD     7.85                
         QG     48 LEU  HA      7.50                
         QG     48 LEU  QQD     8.67                
         HD2    48 LEU  QD1     7.85                
         HD2    48 LEU  QD2     7.85                
         HD3    48 LEU  QD1     7.85                
         HD3    48 LEU  QD2     7.85                
         QD     48 LEU  QQD     6.65                
 44 THR  
         HN     45 GLU- HN      6.50                
         HN     46 ALA  HN      6.50                
         HN     47 GLU- HN      4.70                
         HN     47 GLU- HA      6.50                
         HN     47 GLU- HB2     4.90                
         HN     47 GLU- HB3     4.90                
         HN     47 GLU- QG      4.80                
         HN     48 LEU  HN      5.20                
         HN     48 LEU  HG      6.50                
         HN     48 LEU  QQD     9.07                
         HA     44 THR  QG2     3.40                
         HA     45 GLU- HN      3.60                
         HA     45 GLU- HA      6.50                
         HA     45 GLU- QB      6.50                
         HA     45 GLU- QG      7.50                
         HA     46 ALA  HN      4.90                
         HA     48 LEU  HG      6.50                
         HA     48 LEU  QQD     8.77                
         HB     45 GLU- HN      3.30                
         HB     45 GLU- QB      7.50                
         HB     46 ALA  HN      4.60                
         HB     46 ALA  QB      6.10                
         HB     47 GLU- HN      6.50                
         HB     47 GLU- QB      7.38                
         HB     47 GLU- QG      7.20                
         QG2    45 GLU- HN      4.50                
         QG2    47 GLU- QG      7.10                
 45 GLU- 
         HN     45 GLU- QG      7.50                
         HN     46 ALA  HN      4.20                
         HN     46 ALA  HA      6.30                
         HN     47 GLU- HN      6.50                
         HN     48 LEU  HN      6.20                
         HN     48 LEU  QB      7.38                
         HN     48 LEU  QQD     7.77                
         HA     48 LEU  QB      7.38                
         HA     48 LEU  QQD     6.67                
         QB     48 LEU  QB      8.38                
         QG     48 LEU  QQD     9.57                
 46 ALA  
         HN     46 ALA  QB      3.40                
         HN     47 GLU- HN      3.70                
         HN     47 GLU- QB      6.08                
         HN     47 GLU- QG      5.70                
         HN     48 LEU  HN      6.50                
         HN     48 LEU  QB      7.38                
         HN     48 LEU  QQD     8.97                
         HN     49 GLN  HB2     6.50                
         HN     49 GLN  HB3     6.50                
         HN     49 GLN  QB      5.96                
         HN     49 GLN  QG      7.38                
         HA     48 LEU  QB      7.38                
         HA     49 GLN  HB2     4.60                
         HA     49 GLN  HB3     4.60                
         HA     49 GLN  QB      4.22                
         HA     49 GLN  QG      7.28                
         QB     47 GLU- HN      3.40                
         QB     47 GLU- QB      7.38                
         QB     47 GLU- QG      8.30                
         QB     48 LEU  HN      7.50                
 47 GLU- 
         HN     47 GLU- QB      3.72                
         HN     47 GLU- QG      4.10                
         HN     48 LEU  HN      3.80                
         HN     49 GLN  HN      5.70                
         HA     47 GLU- QG      3.70                
         HA     48 LEU  QB      7.38                
         HA     48 LEU  QQD     9.07                
         HA     50 ASP- HN      3.90                
         HA     50 ASP- HB2     4.60                
         HA     50 ASP- HB3     4.60                
         HA     50 ASP- QB      4.37                
         HA     51 MET  QG      7.38                
         QB     48 LEU  HA      7.38                
         QB     51 MET  QG      7.75                
         QG     48 LEU  HN      7.50                
         QG     49 GLN  HN      7.50                
 48 LEU  
         HN     48 LEU  HG      4.20                
         HN     48 LEU  QD1     7.50                
         HN     48 LEU  QD2     7.50                
         HN     49 GLN  HN      3.60                
         HN     49 GLN  HA      6.50                
         HN     49 GLN  QB      7.38                
         HN     50 ASP- QB      7.38                
         HA     49 GLN  HA      5.00                
         HA     51 MET  QB      7.38                
         HA     51 MET  QG      7.38                
         HB2    49 GLN  HG2     8.25                
         HB2    49 GLN  HG3     8.25                
         HB3    49 GLN  HG2     8.25                
         HB3    49 GLN  HG3     8.25                
         QB     49 GLN  HN      5.08                
         QB     49 GLN  HA      5.08                
         QB     49 GLN  QB      8.25                
         QB     49 GLN  QG      7.32                
         QB     50 ASP- HN      5.68                
         QB     51 MET  HN      6.88                
         QB     51 MET  QB      7.95                
         QB     52 ILE  HN      5.78                
         QB     52 ILE  HB      7.38                
         QB     52 ILE  QG2     7.88                
         HG     49 GLN  HN      6.50                
         HG     51 MET  QB      7.38                
         QQD    49 GLN  HN      6.47                
         QQD    50 ASP- HN      6.37                
         QQD    51 MET  QB      9.95                
 49 GLN  
         HN     49 GLN  HB2     3.90                
         HN     49 GLN  HB3     3.90                
         HN     49 GLN  QG      4.48                
         HN     50 ASP- HN      3.20                
         HN     50 ASP- HA      6.40                
         HN     50 ASP- QB      7.08                
         HN     51 MET  HN      4.00                
         HN     51 MET  QG      7.38                
         HN     52 ILE  QG2     6.10                
         HA     50 ASP- HA      6.50                
         HA     51 MET  HN      5.80                
         HA     51 MET  QB      7.38                
         HA     52 ILE  HN      4.90                
         HA     52 ILE  HB      5.00                
         HA     52 ILE  QD1     5.80                
         HB2    50 ASP- HN      6.50                
         HB3    50 ASP- HN      6.50                
         QB     50 ASP- HA      6.38                
         QB     52 ILE  HN      7.38                
         HG2    50 ASP- HN      5.00                
         HG2    52 ILE  HB      6.50                
         HG3    50 ASP- HN      5.00                
         HG3    52 ILE  HB      6.50                
         QG     50 ASP- HN      4.68                
         QG     52 ILE  HN      7.38                
         QG     53 ASN  QD2     8.24                
 50 ASP- 
         HN     50 ASP- HB2     3.70                
         HN     50 ASP- HB3     3.70                
         HN     50 ASP- QB      3.49                
         HN     51 MET  HN      3.60                
         HN     51 MET  QB      5.78                
         HN     52 ILE  HN      6.50                
         HN     53 ASN  HN      5.80                
         HA     52 ILE  QD1     7.30                
         HA     53 ASN  HB2     6.50                
         HA     53 ASN  HB3     6.50                
         HA     53 ASN  HD21    6.50                
         HA     53 ASN  HD22    6.50                
         HA     53 ASN  QD2     6.34                
         QB     51 MET  QG      8.25                
         QB     52 ILE  HN      6.78                
         QB     53 ASN  QB      8.25                
 51 MET  
         HN     51 MET  QB      3.81                
         HN     51 MET  QG      3.88                
         HN     52 ILE  HN      3.90                
         HN     52 ILE  HB      6.50                
         HN     52 ILE  QG1     5.48                
         HN     53 ASN  HN      6.50                
         HN     53 ASN  HB2     6.50                
         HN     53 ASN  HB3     6.50                
         HN     53 ASN  QB      6.34                
         HA     51 MET  QG      3.92                
         HA     53 ASN  QB      7.38                
         HA     54 GLU- QB      7.38                
         HA     54 GLU- QG      6.18                
         HA     55 VAL  QG1     7.50                
         HA     55 VAL  QG2     7.50                
         HB2    52 ILE  HG12    8.25                
         HB2    52 ILE  HG13    8.25                
         HB3    52 ILE  HG12    8.25                
         HB3    52 ILE  HG13    8.25                
         QB     52 ILE  QG1     7.32                
         QG     52 ILE  HN      5.58                
 52 ILE  
         HN     52 ILE  QG2     4.40                
         HN     52 ILE  HG12    3.70                
         HN     52 ILE  HG13    3.70                
         HN     52 ILE  QG1     3.44                
         HN     52 ILE  QD1     4.50                
         HN     53 ASN  HN      4.10                
         HN     53 ASN  QB      7.38                
         HN     54 GLU- HN      5.10                
         HN     54 GLU- QB      7.38                
         HN     55 VAL  QQG     6.06                
         HA     52 ILE  QG2     3.40                
         HA     52 ILE  QG1     3.80                
         HA     54 GLU- QB      7.38                
         HA     55 VAL  HN      5.30                
         HA     55 VAL  QQG     9.06                
         HA     56 ASP- HN      6.10                
         HB     52 ILE  QD1     3.40                
         HB     53 ASN  HN      6.50                
         HB     54 GLU- HN      5.40                
         HB     55 VAL  QQG     7.46                
         HB     62 THR  HA      6.30                
         QG2    52 ILE  HG12    3.40                
         QG2    52 ILE  HG13    3.40                
         QG2    53 ASN  HA      7.20                
         QG2    53 ASN  QB      8.38                
         QG2    55 VAL  QQG     7.56                
         QG2    61 GLY  HA1     7.30                
         QG2    61 GLY  HA2     7.30                
         QG2    61 GLY  QA      6.90                
         QG2    62 THR  HA      6.90                
         QG2    62 THR  QG2     7.80                
         QG2    63 ILE  HN      7.50                
         QG2    63 ILE  QG1     8.38                
         QG1    53 ASN  HN      5.28                
         QG1    53 ASN  QB      8.25                
         QG1    56 ASP- QB      8.25                
         QG1    62 THR  QG2     8.38                
         QD1    53 ASN  HN      4.80                
         QD1    53 ASN  HB2     7.50                
         QD1    53 ASN  HB3     7.50                
         QD1    54 GLU- HN      7.50                
         QD1    56 ASP- HN      7.50                
         QD1    56 ASP- HB2     6.40                
         QD1    56 ASP- HB3     6.40                
         QD1    56 ASP- QB      6.09                
         QD1    61 GLY  HN      6.20                
         QD1    62 THR  HN      5.20                
         QD1    62 THR  HA      6.50                
         QD1    63 ILE  HN      7.50                
         QD1    63 ILE  QG1     6.88                
 53 ASN  
         HN     53 ASN  HB2     4.00                
         HN     53 ASN  HB3     4.00                
         HN     54 GLU- HN      4.10                
         HN     54 GLU- HA      6.30                
         HN     54 GLU- QB      7.38                
         HN     54 GLU- QG      7.58                
         HN     55 VAL  QQG     9.06                
         HN     56 ASP- QB      7.38                
         HA     54 GLU- HA      6.50                
         HA     56 ASP- HN      3.90                
         HA     56 ASP- HB2     6.50                
         HA     56 ASP- HB3     6.50                
         HA     59 GLY  QA      7.38                
         HA     61 GLY  QA      5.08                
         HB2    53 ASN  HD21    4.00                
         HB2    53 ASN  HD22    4.00                
         HB2    54 GLU- HN      4.40                
         HB2    54 GLU- HB2     8.25                
         HB2    54 GLU- HB3     8.25                
         HB3    53 ASN  HD21    4.00                
         HB3    53 ASN  HD22    4.00                
         HB3    54 GLU- HN      4.40                
         HB3    54 GLU- HB2     8.25                
         HB3    54 GLU- HB3     8.25                
         QB     54 GLU- HA      6.28                
         QB     54 GLU- QB      7.32                
         QB     56 ASP- HN      7.38                
         QB     56 ASP- QB      7.35                
 54 GLU- 
         HN     54 GLU- HB2     3.70                
         HN     54 GLU- HB3     3.70                
         HN     54 GLU- QB      3.49                
         HN     54 GLU- QG      4.38                
         HN     55 VAL  HN      3.90                
         HN     55 VAL  QG1     5.30                
         HN     55 VAL  QG2     5.30                
         HN     55 VAL  QQG     4.96                
         HN     56 ASP- HN      4.10                
         HA     55 VAL  HA      6.50                
         HA     56 ASP- HN      6.10                
         HA     57 ALA  HA      6.50                
         HB2    55 VAL  HN      4.50                
         HB2    55 VAL  QG1    10.02                
         HB2    55 VAL  QG2    10.02                
         HB3    55 VAL  HN      4.50                
         HB3    55 VAL  QG1    10.02                
         HB3    55 VAL  QG2    10.02                
         QB     55 VAL  HA      6.08                
         QB     55 VAL  QQG     7.93                
         QB     56 ASP- HN      6.38                
         QG     55 VAL  HN      6.28                
         QG     71 MET  HA      6.08                
         QG     71 MET  QG      8.38                
 55 VAL  
         HN     55 VAL  QG1     3.80                
         HN     55 VAL  QG2     3.80                
         HN     55 VAL  QQG     3.36                
         HN     56 ASP- HN      3.70                
         HN     56 ASP- HB2     5.30                
         HN     56 ASP- HB3     5.30                
         HN     56 ASP- QB      5.13                
         HN     57 ALA  HN      6.50                
         HA     67 GLU- QB      7.38                
         HB     56 ASP- HN      5.70                
         HB     63 ILE  QG2     6.90                
         HB     63 ILE  QG1     7.18                
         HB     71 MET  HN      5.20                
         HB     71 MET  QB      7.50                
         HB     72 MET  HN      6.50                
         QG1    56 ASP- HN      4.60                
         QG1    63 ILE  HA      7.50                
         QG1    63 ILE  QG2     8.50                
         QG2    56 ASP- HN      4.60                
         QG2    63 ILE  HA      7.50                
         QG2    63 ILE  QG2     8.50                
         QQG    56 ASP- HN      4.22                
         QQG    56 ASP- HA      6.66                
         QQG    62 THR  HB      9.06                
         QQG    63 ILE  HA      6.99                
         QQG    63 ILE  QG2     7.77                
         QQG    64 ASP- HN      7.46                
         QQG    67 GLU- QG      9.94                
         QQG    71 MET  HN      7.26                
         QQG    71 MET  QG      9.66                
         QQG    72 MET  HN      7.76                
         QQG    75 LYS+ HN      8.76                
         QQG    75 LYS+ QG     10.06                
 56 ASP- 
         HN     56 ASP- HB2     3.90                
         HN     56 ASP- HB3     3.90                
         HN     56 ASP- QB      3.70                
         HN     57 ALA  HN      5.40                
         HA     57 ALA  HA      6.50                
         HA     57 ALA  QB      7.50                
         HA     58 ASP- HN      4.50                
         HA     59 GLY  QA      6.88                
         HA     63 ILE  QG1     7.38                
         HB2    57 ALA  HN      6.30                
         HB2    62 THR  HN      6.50                
         HB3    57 ALA  HN      6.30                
         HB3    62 THR  HN      6.50                
         QB     60 ASP- HN      7.38                
         QB     61 GLY  QA      8.25                
         QB     63 ILE  HA      7.18                
         QB     63 ILE  QG1     8.25                
         QB     63 ILE  QD1     8.38                
 57 ALA  
         HN     57 ALA  QB      3.40                
         HN     58 ASP- HN      3.90                
         HN     58 ASP- QB      5.98                
         HN     59 GLY  HN      5.40                
         HN     67 GLU- QG      7.38                
         HA     59 GLY  HN      5.00                
         QB     58 ASP- HN      3.40                
         QB     58 ASP- HA      7.50                
         QB     58 ASP- QB      8.08                
         QB     59 GLY  HN      5.00                
         QB     67 GLU- HB2     7.50                
         QB     67 GLU- HB3     7.50                
         QB     70 THR  QG2     8.50                
 58 ASP- 
         HN     59 GLY  HN      3.80                
         HN     59 GLY  HA1     5.80                
         HN     59 GLY  HA2     5.80                
         HN     59 GLY  QA      5.34                
         HN     60 ASP- QB      7.38                
         HA     59 GLY  HA1     6.50                
         HA     59 GLY  HA2     6.50                
         HA     59 GLY  QA      5.91                
         HB2    60 ASP- HB2     8.25                
         HB2    60 ASP- HB3     8.25                
         HB3    60 ASP- HB2     8.25                
         HB3    60 ASP- HB3     8.25                
         QB     60 ASP- QB      6.84                
 59 GLY  
         HN     60 ASP- HN      4.60                
         HN     60 ASP- QB      7.38                
         HN     61 GLY  HN      5.40                
         HA1    61 GLY  HN      5.90                
         HA2    61 GLY  HN      5.90                
         QA     60 ASP- HA      6.78                
         QA     61 GLY  QA      7.35                
 60 ASP- 
         HN     61 GLY  HN      3.70                
         HN     61 GLY  HA1     5.90                
         HN     61 GLY  HA2     5.90                
         HN     61 GLY  QA      5.44                
         HA     61 GLY  HA1     6.50                
         HA     61 GLY  HA2     6.50                
         HA     61 GLY  QA      5.78                
         HA     62 THR  HN      6.50                
         HB2    61 GLY  HN      6.50                
         HB2    62 THR  HN      6.50                
         HB3    61 GLY  HN      6.50                
         HB3    62 THR  HN      6.50                
         QB     62 THR  HN      6.34                
 61 GLY  
         HN     62 THR  HN      3.90                
         HN     62 THR  HA      6.50                
         HN     62 THR  QG2     6.30                
         HA1    62 THR  HA      6.50                
         HA1    62 THR  QG2     7.50                
         HA2    62 THR  HA      6.50                
         HA2    62 THR  QG2     7.50                
         QA     62 THR  HA      6.10                
         QA     62 THR  QG2     7.35                
 62 THR  
         HN     63 ILE  HN      5.10                
         HN     63 ILE  HA      6.50                
         HA     62 THR  QG2     3.40                
         HA     63 ILE  HA      4.90                
         HA     63 ILE  HB      5.80                
         HA     63 ILE  QG2     6.60                
         HA     63 ILE  QG1     7.38                
         HA     63 ILE  QD1     7.50                
         HB     63 ILE  HN      3.90                
         HB     63 ILE  HA      5.10                
         HB     63 ILE  QG2     7.50                
         QG2    63 ILE  HN      7.50                
         QG2    63 ILE  HA      7.50                
         QG2    63 ILE  QG2     7.30                
         QG2    63 ILE  QG1     8.38                
         QG2    64 ASP- HN      6.50                
 63 ILE  
         HN     63 ILE  QG1     4.88                
         HN     63 ILE  QD1     7.50                
         HA     63 ILE  QG2     3.50                
         HA     63 ILE  HG12    3.80                
         HA     63 ILE  HG13    3.80                
         HA     63 ILE  QG1     3.50                
         HA     63 ILE  QD1     4.50                
         HA     67 GLU- QB      6.68                
         HB     63 ILE  QD1     3.40                
         HB     64 ASP- HN      4.60                
         HB     67 GLU- QB      5.88                
         HB     68 PHE  HN      6.50                
         QG2    63 ILE  QD1     4.40                
         QG2    64 ASP- HN      4.80                
         QG2    65 PHE  HN      7.40                
         QG2    67 GLU- HN      5.30                
         QG2    67 GLU- HB2     6.60                
         QG2    67 GLU- HB3     6.60                
         QG2    67 GLU- QB      6.25                
         QG2    68 PHE  HN      4.40                
         QG2    68 PHE  HA      6.70                
         QG2    68 PHE  HB2     6.30                
         QG2    68 PHE  HB3     6.30                
         QG2    68 PHE  QB      6.09                
         QG2    68 PHE  HD1     5.70                
         HG12   64 ASP- HN      6.20                
         HG12   67 GLU- HB2     8.25                
         HG12   67 GLU- HB3     8.25                
         HG13   64 ASP- HN      6.20                
         HG13   67 GLU- HB2     8.25                
         HG13   67 GLU- HB3     8.25                
         QG1    64 ASP- HN      5.70                
         QG1    67 GLU- QB      6.89                
         QG1    68 PHE  HN      6.98                
         QG1    68 PHE  QB      8.25                
         QD1    68 PHE  HA      7.50                
         QD1    68 PHE  QB      7.08                
         QD1    68 PHE  HD1     7.50                
         QD1    71 MET  HN      7.50                
 64 ASP- 
         HN     65 PHE  HN      5.80                
         HN     67 GLU- HN      5.10                
         HN     67 GLU- QB      5.38                
         HA     65 PHE  QB      7.38                
         HA     66 PRO  QD      7.38                
         HA     67 GLU- QB      6.98                
         HB2    65 PHE  HN      4.50                
         HB2    66 PRO  HD2     8.25                
         HB2    66 PRO  HD3     8.25                
         HB3    65 PHE  HN      4.50                
         HB3    66 PRO  HD2     8.25                
         HB3    66 PRO  HD3     8.25                
         QB     65 PHE  HN      4.26                
         QB     66 PRO  QD      7.32                
         QB     67 GLU- HN      5.68                
         QB     67 GLU- QB      6.55                
 65 PHE  
         HN     65 PHE  HD1     6.50                
         HN     66 PRO  QD      5.58                
         HN     67 GLU- HN      6.50                
         HN     68 PHE  HN      6.50                
         HA     65 PHE  HD1     3.10                
         HA     65 PHE  HE1     6.50                
         HA     68 PHE  HB2     5.70                
         HA     68 PHE  HB3     5.70                
         HA     68 PHE  QB      5.20                
         HA     68 PHE  HD1     6.50                
         HA     69 LEU  QB      7.38                
         HB2    65 PHE  HD1     3.70                
         HB2    66 PRO  HD2     7.15                
         HB2    66 PRO  HD3     7.15                
         HB3    65 PHE  HD1     3.70                
         HB3    66 PRO  HD2     7.15                
         HB3    66 PRO  HD3     7.15                
         QB     66 PRO  QD      5.77                
         HD1    66 PRO  HD2     6.50                
         HD1    66 PRO  HD3     6.50                
         HD1    66 PRO  QD      6.34                
 66 PRO  
         HA     67 GLU- HA      6.50                
         HA     68 PHE  HN      6.50                
         HA     69 LEU  QB      6.78                
         HA     69 LEU  QQD     8.47                
         QB     67 GLU- QG      8.38                
         QB     69 LEU  HG      7.50                
         QG     67 GLU- HA      7.50                
         QG     67 GLU- QG      6.08                
         HD2    67 GLU- HG2     7.05                
         HD2    67 GLU- HG3     7.05                
         HD3    67 GLU- HG2     7.05                
         HD3    67 GLU- HG3     7.05                
         QD     67 GLU- QB      6.95                
         QD     67 GLU- QG      6.01                
 67 GLU- 
         HN     67 GLU- QG      4.68                
         HN     68 PHE  HN      4.50                
         HN     69 LEU  HN      5.10                
         QB     68 PHE  HA      7.38                
         QG     70 THR  HB      7.38                
         QG     70 THR  QG2     8.08                
 68 PHE  
         HN     68 PHE  HD1     5.60                
         HN     69 LEU  HN      4.50                
         HN     69 LEU  HA      6.50                
         HN     70 THR  HN      6.50                
         HA     68 PHE  HD1     6.50                
         HA     71 MET  QB      7.50                
         HB2    68 PHE  HD1     3.50                
         HB2    69 LEU  HN      4.80                
         HB3    68 PHE  HD1     3.50                
         HB3    69 LEU  HN      4.80                
         QB     71 MET  QB      8.38                
         HD1    69 LEU  HA      7.00                
 69 LEU  
         HN     69 LEU  HG      3.90                
         HN     69 LEU  QQD     6.07                
         HN     70 THR  HN      4.50                
         HA     69 LEU  HG      3.70                
         HA     70 THR  HA      5.20                
         HA     71 MET  HN      6.50                
         HA     72 MET  HN      6.50                
         HA     73 ALA  HN      5.90                
         QB     70 THR  HN      7.38                
         QB     73 ALA  HN      7.38                
         HG     70 THR  HN      5.30                
         QQD    70 THR  HN      7.17                
         QQD    73 ALA  HN      9.07                
         QQD    74 ARG+ HN      8.27                
 70 THR  
         HN     70 THR  HB      4.20                
         HN     71 MET  HN      4.30                
         HN     71 MET  QB      7.50                
         HN     73 ALA  QB      7.50                
         HN     74 ARG+ QG      6.20                
         HA     70 THR  QG2     3.40                
         HA     73 ALA  HN      5.10                
         HA     73 ALA  QB      3.40                
         HA     74 ARG+ HN      5.20                
         HB     71 MET  HN      4.40                
         QG2    71 MET  HN      4.80                
         QG2    71 MET  HA      7.50                
         QG2    74 ARG+ HN      5.40                
         QG2    74 ARG+ QG      7.60                
 71 MET  
         HN     71 MET  QG      4.70                
         HN     72 MET  HN      4.40                
         HN     72 MET  HA      6.50                
         HN     73 ALA  HN      5.70                
         HN     73 ALA  QB      6.00                
         HA     74 ARG+ QB      6.70                
         HA     74 ARG+ QD      7.50                
         QG     72 MET  HN      5.50                
         QG     74 ARG+ HN      7.50                
 72 MET  
         HN     72 MET  QG      4.80                
         HN     73 ALA  HN      3.70                
         HN     74 ARG+ HN      4.90                
         HN     75 LYS+ QG      7.50                
         HA     75 LYS+ HA      5.30                
         HA     75 LYS+ QB      6.30                
         QB     75 LYS+ QB      8.50                
 73 ALA  
         HN     73 ALA  QB      3.40                
         HN     74 ARG+ HN      4.10                
         HN     74 ARG+ QB      5.90                
         HN     75 LYS+ HN      6.50                
         HN     75 LYS+ QB      7.50                
         HN     76 MET  HN      6.50                
         HN     76 MET  QB      7.38                
         HA     75 LYS+ QB      7.50                
         HA     76 MET  HN      6.50                
         HA     76 MET  HA      6.50                
         HA     76 MET  HB2     6.50                
         HA     76 MET  HB3     6.50                
         HA     76 MET  QB      5.82                
         HA     76 MET  HG2     6.50                
         HA     76 MET  HG3     6.50                
         HA     76 MET  QG      5.91                
         HA     77 LYS+ HN      5.30                
         QB     74 ARG+ HN      3.40                
         QB     75 LYS+ HN      5.30                
         QB     76 MET  QB      8.38                
         QB     77 LYS+ QE      7.80                
 74 ARG+ 
         HN     74 ARG+ QG      5.30                
         HN     74 ARG+ QD      6.00                
         HN     75 LYS+ HA      5.10                
         HN     75 LYS+ QB      7.10                
         HN     75 LYS+ QG      7.40                
         HN     77 LYS+ HN      5.90                
         HA     78 ASP- HN      6.50                
         QB     75 LYS+ QG      8.50                
         QB     76 MET  HN      5.70                
         QG     77 LYS+ HB2     5.90                
         QG     77 LYS+ HB3     5.90                
 75 LYS+ 
         HN     75 LYS+ QG      4.90                
         HN     75 LYS+ QD      5.30                
         HN     76 MET  HN      3.70                
         HN     76 MET  QB      5.68                
         HN     77 LYS+ HN      5.00                
         HN     78 ASP- QB      7.38                
         HA     75 LYS+ QD      4.70                
         HA     76 MET  HG2     6.50                
         HA     76 MET  HG3     6.50                
         HA     77 LYS+ HN      6.50                
         HA     77 LYS+ HB2     6.50                
         HA     77 LYS+ HB3     6.50                
         HA     78 ASP- HN      6.50                
         QB     76 MET  HN      5.00                
         QB     76 MET  HA      6.00                
         QB     76 MET  HG2     7.50                
         QB     76 MET  HG3     7.50                
         QB     79 THR  QG2     8.50                
         QG     76 MET  HN      7.50                
         QG     76 MET  HA      7.50                
         QG     77 LYS+ QB      8.38                
         QG     78 ASP- HN      7.20                
         QG     79 THR  HN      6.50                
         QE     78 ASP- HA      6.40                
         QE     78 ASP- QB      8.38                
 76 MET  
         HN     76 MET  HB2     3.60                
         HN     76 MET  HB3     3.60                
         HN     76 MET  QB      3.34                
         HN     76 MET  HG2     3.90                
         HN     76 MET  HG3     3.90                
         HN     76 MET  QG      3.65                
         HN     77 LYS+ HN      6.50                
         HN     79 THR  HN      6.50                
         HA     76 MET  HG2     4.30                
         HA     76 MET  HG3     4.30                
         HA     79 THR  QG2     7.50                
         HB2    77 LYS+ HN      4.90                
         HB2    77 LYS+ HB2     8.25                
         HB2    77 LYS+ HB3     8.25                
         HB3    77 LYS+ HN      4.90                
         HB3    77 LYS+ HB2     8.25                
         HB3    77 LYS+ HB3     8.25                
         QB     77 LYS+ QB      6.87                
         QG     77 LYS+ HN      6.68                
         QG     77 LYS+ QG      8.38                
 77 LYS+ 
         HN     77 LYS+ QB      3.91                
         HN     77 LYS+ QG      7.50                
         HN     77 LYS+ QD      6.10                
         HN     77 LYS+ QE      7.50                
         HN     78 ASP- HN      4.80                
         HN     79 THR  HN      6.30                
         HA     77 LYS+ QE      5.20                
         HA     78 ASP- HA      5.90                
         HB2    78 ASP- HN      5.10                
         HB3    78 ASP- HN      5.10                
         QB     78 ASP- HN      4.83                
         QB     78 ASP- HA      5.48                
         QB     79 THR  HN      7.38                
         QG     78 ASP- HN      5.60                
 78 ASP- 
         HN     79 THR  HN      4.80                
         HN     79 THR  QG2     6.30                
         HA     79 THR  HA      5.70                
         HB2    79 THR  HA      5.80                
         HB3    79 THR  HA      5.80                
         QB     79 THR  HA      5.07                
         QB     79 THR  HB      7.38                
 79 THR  
         HN     79 THR  QG2     3.80                   5 THR  PHI       -70.0    -30 
   6 GLU- PHI       -70.0    -30 
   7 GLU- PHI       -70.0    -30 
   8 GLN  PHI       -70.0    -30 
   9 ILE  PHI       -70.0    -30    
  10 ALA  PHI       -70.0    -30 
  11 GLU- PHI       -70.0    -30   
  12 PHE  PHI       -70.0    -30 
  13 LYS+ PHI       -70.0    -30 
  14 GLU- PHI       -70.0    -30 
  15 ALA  PHI       -70.0    -30   
  16 PHE  PHI       -70.0    -30 
  17 SER  PHI       -70.0    -30 
  18 LEU  PHI       -70.0    -30 
  19 PHE  PHI       -70.0    -30 
  29 THR  PHI       -70.0    -30 
  30 LYS+ PHI       -70.0    -30 
  31 GLU- PHI       -70.0    -30 
  32 LEU  PHI       -70.0    -30 
  33 GLY  PHI       -70.0    -30 
  34 THR  PHI       -70.0    -30 
  35 VAL  PHI       -70.0    -30 
  36 MET  PHI       -70.0    -30 
  37 ARG+ PHI       -70.0    -30 
  38 SER  PHI       -70.0    -30 
  45 GLU- PHI       -70.0    -30 
  46 ALA  PHI       -70.0    -30          
  47 GLU- PHI       -70.0    -30  
  48 LEU  PHI       -70.0    -30 
  49 GLN  PHI       -70.0    -30 
  50 ASP- PHI       -70.0    -30
  51 MET  PHI       -70.0    -30
  52 ILE  PHI       -70.0    -30
  53 ASN  PHI       -70.0    -30 
  54 GLU- PHI       -70.0    -30 
  55 VAL  PHI       -70.0    -30 
  65 PHE  PHI       -70.0    -30 
  67 GLU- PHI       -70.0    -30 
  68 PHE  PHI       -70.0    -30 
  69 LEU  PHI       -70.0    -30 
  70 THR  PHI       -70.0    -30
  71 MET  PHI       -60.0    -20
  72 MET  PHI       -60.0    -20
  73 ALA  PHI       -60.0    -20
  74 ARG+ PHI       -60.0    -20
  75 LYS+ PHI       -60.0    -20
  76 MET  PHI       -60.0    -20
  77 LYS+ PHI       -60.0    -20
  78 ASP- PHI       -60.0    -20
  79 THR  PHI       -60.0    -20
   5 THR  PSI       -60.0    -20
   6 GLU- PSI       -60.0    -20
   7 GLU- PSI       -60.0    -20
   8 GLN  PSI       -60.0    -20
   9 ILE  PSI       -60.0    -20
  10 ALA  PSI       -60.0    -20
  11 GLU- PSI       -60.0    -20
  12 PHE  PSI       -60.0    -20
  13 LYS+ PSI       -60.0    -20
  14 GLU- PSI       -60.0    -20
  15 ALA  PSI       -60.0    -20
  16 PHE  PSI       -60.0    -20
  17 SER  PSI       -60.0    -20
  18 LEU  PSI       -60.0    -20
  19 PHE  PSI       -60.0    -20
  29 THR  PSI       -60.0    -20
  30 LYS+ PSI       -60.0    -20
  31 GLU- PSI       -60.0    -20
  32 LEU  PSI       -60.0    -20
  33 GLY  PSI       -60.0    -20
  34 THR  PSI       -60.0    -20
  35 VAL  PSI       -60.0    -20
  36 MET  PSI       -60.0    -20
  37 ARG+ PSI       -60.0    -20
  38 SER  PSI       -60.0    -20
  45 GLU- PSI       -60.0    -20
  46 ALA  PSI       -60.0    -20
  47 GLU- PSI       -60.0    -20
  48 LEU  PSI       -60.0    -20
  49 GLN  PSI       -60.0    -20
  50 ASP- PSI       -60.0    -20
  51 MET  PSI       -60.0    -20
  52 ILE  PSI       -60.0    -20
  53 ASN  PSI       -60.0    -20
  54 GLU- PSI       -60.0    -20
  55 VAL  PSI       -60.0    -20
  65 PHE  PSI       -60.0    -20
  67 GLU- PSI       -60.0    -20
  68 PHE  PSI       -60.0    -20
  69 LEU  PSI       -60.0    -20
  70 THR  PSI       -60.0    -20
  71 MET  PSI       -60.0    -20
  72 MET  PSI       -60.0    -20
  73 ALA  PSI       -60.0    -20
  74 ARG+ PSI       -60.0    -20
  75 LYS+ PSI       -60.0    -20
  76 MET  PSI       -60.0    -20
  77 LYS+ PSI       -60.0    -20
  78 ASP- PSI       -60.0    -20
  79 THR  PSI       -60.0    -20

  5 THR  N       0.760 1   0.10  1.00 1
  6 GLU- N       1.150 1   0.10  1.00 1
  7 GLU- N       1.030 1   0.10  1.00 1
 10 ALA  N       1.230 1   0.10  1.00 1
 11 GLU- N       1.350 1   0.10  1.00 1
 12 PHE  N       1.400 1   0.10  1.00 1
 15 ALA  N       1.110 1   0.10  1.00 1
 18 LEU  N       0.890 1   0.10  1.00 1
 23 GLY  N       0.540 1   0.10  1.00 1
 24 ASP- N       1.400 1   0.10  1.00 1
 30 LYS+ N      -4.600 1   0.10  1.00 1 
 31 GLU- N      -4.470 1   0.10  1.00 1
 32 LEU  N      -6.410 1   0.10  1.00 1
 33 GLY  N      -4.420 1   0.10  1.00 1  
 34 THR  N      -2.880 1   0.10  1.00 1
 42 ASN  N      -1.090 1   0.10  1.00 1
  5 THR  HN      1.060 1   0.10  1.00 1
  6 GLU- HN      1.170 1   0.10  1.00 1
  7 GLU- HN      1.060 1   0.10  1.00 1
 10 ALA  HN      1.090 1   0.10  1.00 1
 11 GLU- HN      1.380 1   0.10  1.00 1
 12 PHE  HN      1.560 1   0.10  1.00 1
 15 ALA  HN      1.860 1   0.10  1.00 1
 18 LEU  HN      0.820 1   0.10  1.00 1
 23 GLY  HN      0.630 1   0.10  1.00 1
 24 ASP- HN      1.230 1   0.10  1.00 1
 30 LYS+ HN     -4.490 1   0.10  1.00 1  
 31 GLU- HN     -5.070 1   0.10  1.00 1
 32 LEU  HN     -7.060 1   0.10  1.00 1
 33 GLY  HN     -4.550 1   0.10  1.00 1
 34 THR  HN     -2.940 1   0.10  1.00 1
 42 ASN  HN     -0.880 1   0.10  1.00 1
  2 ASP- N      -0.450 1   0.10  1.00 2
  2 ASP- HN     -0.600 1   0.10  1.00 2
  3 GLN  N      -0.630 1   0.10  1.00 2
  3 GLN  HN     -0.630 1   0.10  1.00 2
  4 LEU  N      -0.500 1   0.10  1.00 2
  4 LEU  HN     -0.810 1   0.10  1.00 2
  5 THR  N      -0.790 1   0.10  1.00 2
  5 THR  HN     -0.500 1   0.10  1.00 2
  6 GLU- N      -0.710 1   0.10  1.00 2
  6 GLU- HN     -0.600 1   0.10  1.00 2
  8 GLN  N      -0.690 1   0.10  1.00 2
  8 GLN  HN     -0.660 1   0.10  1.00 2
  9 ILE  N      -1.170 1   0.10  1.00 2
  9 ILE  HN     -0.960 1   0.10  1.00 2
 10 ALA  N      -1.140 1   0.10  1.00 2
 10 ALA  HN     -1.000 1   0.10  1.00 2
 11 GLU- HN     -0.700 1   0.10  1.00 2
 11 GLU- N      -0.870 1   0.10  1.00 2
 12 PHE  HN     -0.900 1   0.10  1.00 2
 12 PHE  N      -0.900 1   0.10  1.00 2
 13 LYS+ HN     -1.100 1   0.10  1.00 2
 13 LYS+ N      -1.490 1   0.10  1.00 2
 14 GLU- N      -1.240 1   0.10  1.00 2
 14 GLU- HN     -1.000 1   0.10  1.00 2
 15 ALA  N      -0.110 1   0.10  1.00 2
 15 ALA  HN     -0.710 1   0.10  1.00 2
 18 LEU  N      -0.550 1   0.10  1.00 2   
 18 LEU  HN     -0.500 1   0.10  1.00 2
 19 PHE  N      -0.160 1   0.10  1.00 2
 19 PHE  HN     -0.100 1   0.10  1.00 2
 20 ASP- N      -0.670 1   0.10  1.00 2
 20 ASP- HN     -0.700 1   0.10  1.00 2
 21 LYS+ N      -0.59  1   0.10  1.00 2
 21 LYS+ HN     -0.18  1   0.10  1.00 2 
 22 ASP- N      -0.790 1   0.10  1.00 2
 22 ASP- HN     -0.700 1   0.10  1.00 2
 23 GLY  N      -1.470 1   0.10  1.00 2
 23 GLY  HN     -1.300 1   0.10  1.00 2
 24 ASP- HN     -2.320 1   0.10  1.00 2
 24 ASP- HN     -2.230 1   0.10  1.00 2
 31 GLU- N       1.250 1   0.10  1.00 2
 31 GLU- HN      1.050 1   0.10  1.00 2 
 32 LEU  N       3.900 1   0.10  1.00 2
 32 LEU  HN      3.820 1   0.10  1.00 2
 33 GLY  N       2.710 1   0.10  1.00 2
 33 GLY  HN      2.670 1   0.10  1.00 2
 34 THR  N       1.570 1   0.10  1.00 2
 34 THR  HN      1.570 1   0.10  1.00 2
 35 VAL  N       1.550 1   0.10  1.00 2
 35 VAL  HN      1.600 1   0.10  1.00 2
 36 MET  HN      1.940 1   0.10  1.00 2 
 36 MET  N       1.860 1   0.10  1.00 2
 39 LEU  N       0.860 1   0.10  1.00 2
 39 LEU  HN      0.810 1   0.10  1.00 2
 44 THR  N       1.340 1   0.10  1.00 2
 44 THR  HN      1.100 1   0.10  1.00 2
 45 GLU- N       0.960 1   0.10  1.00 2
 45 GLU- HN      0.830 1   0.10  1.00 2
 46 ALA  N       1.180 1   0.10  1.00 2
 46 ALA  HN      0.800 1   0.10  1.00 2
 47 GLU- N       1.900 1   0.10  1.00 2
 47 GLU- HN      1.300 1   0.10  1.00 2
 48 LEU  N       2.450 1   0.10  1.00 2
 48 LEU  HN      2.140 1   0.10  1.00 2
 49 GLN  N       3.290 1   0.10  1.00 2
 49 GLN  HN      2.290 1   0.10  1.00 2  
 50 ASP- N       2.790 1   0.10  1.00 2
 50 ASP- HN      2.340 1   0.10  1.00 2
151 LTNS 
181 LTNS

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1 -19.270   6.582   4.740
    2    HA   ALA   1           HA       ALA   1 -19.435   7.420   2.065
    3   1HB   ALA   1          1HB       ALA   1 -17.472   7.618   3.655
    4   2HB   ALA   1          2HB       ALA   1 -17.186   5.878   3.410
    5   3HB   ALA   1          3HB       ALA   1 -17.064   7.002   2.036
    6    H    ASP   2           H        ASP   2 -20.364   4.503   3.528
    7    HA   ASP   2           HA       ASP   2 -21.303   2.785   2.475
    8   1HB   ASP   2          1HB       ASP   2 -20.917   4.201   0.256
    9   2HB   ASP   2          2HB       ASP   2 -19.564   3.114   0.015
   10    H    GLN   3           H        GLN   3 -17.822   3.564   1.955
   11    HA   GLN   3           HA       GLN   3 -17.185   0.946   3.013
   12   1HB   GLN   3          1HB       GLN   3 -16.147   2.082   0.389
   13   2HB   GLN   3          2HB       GLN   3 -15.281   0.833   1.262
   14   1HG   GLN   3          1HG       GLN   3 -18.006  -0.019   1.175
   15   2HG   GLN   3          2HG       GLN   3 -17.640   0.580  -0.430
   16   1HE2  GLN   3          1HE2      GLN   3 -17.907  -1.628  -1.080
   17   2HE2  GLN   3          2HE2      GLN   3 -16.599  -2.757  -0.952
   18    H    LEU   4           H        LEU   4 -17.236   3.608   4.210
   19    HA   LEU   4           HA       LEU   4 -15.936   5.151   5.178
   20   1HB   LEU   4          1HB       LEU   4 -14.720   4.256   6.897
   21   2HB   LEU   4          2HB       LEU   4 -15.797   2.939   6.476
   22    HG   LEU   4           HG       LEU   4 -13.614   2.365   4.916
   23   1HD1  LEU   4          1HD1      LEU   4 -11.667   3.096   5.730
   24   2HD1  LEU   4          2HD1      LEU   4 -12.633   4.336   6.564
   25   3HD1  LEU   4          3HD1      LEU   4 -12.169   2.846   7.420
   26   1HD2  LEU   4          1HD2      LEU   4 -14.144   1.439   7.753
   27   2HD2  LEU   4          2HD2      LEU   4 -14.885   0.784   6.273
   28   3HD2  LEU   4          3HD2      LEU   4 -13.136   0.603   6.548
   29    H    THR   5           H        THR   5 -15.354   4.662   2.296
   30    HA   THR   5           HA       THR   5 -12.520   4.753   1.987
   31    HB   THR   5           HB       THR   5 -14.968   5.187   0.227
   32    HG1  THR   5           HG1      THR   5 -12.649   3.393   0.399
   33   1HG2  THR   5          1HG2      THR   5 -13.703   6.204  -1.379
   34   2HG2  THR   5          2HG2      THR   5 -12.317   6.251  -0.263
   35   3HG2  THR   5          3HG2      THR   5 -12.562   4.839  -1.319
   36    H    GLU   6           H        GLU   6 -15.070   7.134   2.588
   37    HA   GLU   6           HA       GLU   6 -13.638   9.340   1.680
   38   1HB   GLU   6          1HB       GLU   6 -16.070   9.382   2.093
   39   2HB   GLU   6          2HB       GLU   6 -15.813   9.124   3.807
   40   1HG   GLU   6          1HG       GLU   6 -15.746  11.381   4.040
   41   2HG   GLU   6          2HG       GLU   6 -14.188  11.345   3.239
   42    H    GLU   7           H        GLU   7 -14.205   8.166   5.083
   43    HA   GLU   7           HA       GLU   7 -12.484   9.940   6.262
   44   1HB   GLU   7          1HB       GLU   7 -12.398   8.179   8.128
   45   2HB   GLU   7          2HB       GLU   7 -13.992   8.734   7.657
   46   1HG   GLU   7          1HG       GLU   7 -14.483   6.733   6.466
   47   2HG   GLU   7          2HG       GLU   7 -12.794   6.290   6.318
   48    H    GLN   8           H        GLN   8 -11.870   6.785   4.682
   49    HA   GLN   8           HA       GLN   8  -9.243   6.550   5.631
   50   1HB   GLN   8          1HB       GLN   8 -11.051   5.104   3.850
   51   2HB   GLN   8          2HB       GLN   8  -9.435   5.152   3.172
   52   1HG   GLN   8          1HG       GLN   8 -10.086   4.279   6.028
   53   2HG   GLN   8          2HG       GLN   8  -9.821   3.177   4.691
   54   1HE2  GLN   8          1HE2      GLN   8  -8.020   2.203   5.424
   55   2HE2  GLN   8          2HE2      GLN   8  -6.485   2.975   5.642
   56    H    ILE   9           H        ILE   9 -10.561   7.458   2.359
   57    HA   ILE   9           HA       ILE   9  -8.239   8.071   1.113
   58    HB   ILE   9           HB       ILE   9 -11.001   9.228   0.947
   59   1HG1  ILE   9          1HG1      ILE   9 -10.489   6.887   0.185
   60   2HG1  ILE   9          2HG1      ILE   9 -11.189   7.936  -1.031
   61   1HG2  ILE   9          1HG2      ILE   9 -10.210  11.067  -0.031
   62   2HG2  ILE   9          2HG2      ILE   9  -8.557  10.413  -0.120
   63   3HG2  ILE   9          3HG2      ILE   9  -9.741  10.016  -1.388
   64   1HD1  ILE   9          1HD1      ILE   9  -9.449   7.244  -2.337
   65   2HD1  ILE   9          2HD1      ILE   9  -8.486   8.411  -1.400
   66   3HD1  ILE   9          3HD1      ILE   9  -8.501   6.693  -0.935
   67    H    ALA  10           H        ALA  10 -10.066  10.079   3.475
   68    HA   ALA  10           HA       ALA  10  -8.730  12.444   3.219
   69   1HB   ALA  10          1HB       ALA  10 -10.255  12.798   4.834
   70   2HB   ALA  10          2HB       ALA  10 -10.357  11.059   5.200
   71   3HB   ALA  10          3HB       ALA  10  -9.111  12.062   5.982
   72    H    GLU  11           H        GLU  11  -7.857   9.721   5.472
   73    HA   GLU  11           HA       GLU  11  -5.407  10.933   6.119
   74   1HB   GLU  11          1HB       GLU  11  -6.857   8.430   6.772
   75   2HB   GLU  11          2HB       GLU  11  -5.113   8.260   6.799
   76   1HG   GLU  11          1HG       GLU  11  -5.034  10.375   8.257
   77   2HG   GLU  11          2HG       GLU  11  -6.781  10.277   8.368
   78    H    PHE  12           H        PHE  12  -6.406   8.267   3.894
   79    HA   PHE  12           HA       PHE  12  -3.934   7.376   3.139
   80   1HB   PHE  12          1HB       PHE  12  -6.721   7.374   2.250
   81   2HB   PHE  12          2HB       PHE  12  -5.702   7.588   0.841
   82    HD1  PHE  12           HD1      PHE  12  -5.730   5.465   3.923
   83    HD2  PHE  12           HD2      PHE  12  -5.117   5.666  -0.271
   84    HE1  PHE  12           HE1      PHE  12  -5.287   2.995   3.870
   85    HE2  PHE  12           HE2      PHE  12  -4.674   3.196  -0.324
   86    HZ   PHE  12           HZ       PHE  12  -4.764   1.890   1.747
   87    H    LYS  13           H        LYS  13  -5.566  10.418   2.334
   88    HA   LYS  13           HA       LYS  13  -4.064  11.000   0.024
   89   1HB   LYS  13          1HB       LYS  13  -6.291  12.018   1.018
   90   2HB   LYS  13          2HB       LYS  13  -5.194  13.136   1.803
   91   1HG   LYS  13          1HG       LYS  13  -5.534  14.264  -0.205
   92   2HG   LYS  13          2HG       LYS  13  -4.116  13.327  -0.630
   93   1HD   LYS  13          1HD       LYS  13  -5.307  11.868  -2.002
   94   2HD   LYS  13          2HD       LYS  13  -6.779  12.002  -1.060
   95   1HE   LYS  13          1HE       LYS  13  -5.692  14.296  -2.756
   96   2HE   LYS  13          2HE       LYS  13  -6.826  13.114  -3.377
   97   1HZ   LYS  13          1HZ       LYS  13  -7.550  15.328  -2.142
   98   2HZ   LYS  13          2HZ       LYS  13  -8.478  13.984  -2.179
   99   3HZ   LYS  13          3HZ       LYS  13  -7.557  14.305  -0.869
  100    H    GLU  14           H        GLU  14  -3.746  12.091   3.476
  101    HA   GLU  14           HA       GLU  14  -1.308  13.381   2.932
  102   1HB   GLU  14          1HB       GLU  14  -3.093  12.961   5.223
  103   2HB   GLU  14          2HB       GLU  14  -1.410  12.873   5.702
  104   1HG   GLU  14          1HG       GLU  14  -1.075  15.063   4.337
  105   2HG   GLU  14          2HG       GLU  14  -2.823  15.174   4.293
  106    H    ALA  15           H        ALA  15  -2.272  10.124   4.034
  107    HA   ALA  15           HA       ALA  15   0.276   9.329   4.935
  108   1HB   ALA  15          1HB       ALA  15  -1.616   8.105   5.687
  109   2HB   ALA  15          2HB       ALA  15  -2.232   7.882   4.031
  110   3HB   ALA  15          3HB       ALA  15  -0.775   7.008   4.565
  111    H    PHE  16           H        PHE  16  -1.473   9.020   1.781
  112    HA   PHE  16           HA       PHE  16   0.102   7.442   0.355
  113   1HB   PHE  16          1HB       PHE  16  -1.755   8.597  -0.683
  114   2HB   PHE  16          2HB       PHE  16  -1.164  10.168  -0.181
  115    HD1  PHE  16           HD1      PHE  16   0.051   7.308  -2.266
  116    HD2  PHE  16           HD2      PHE  16  -0.349  11.512  -1.855
  117    HE1  PHE  16           HE1      PHE  16   1.111   7.629  -4.518
  118    HE2  PHE  16           HE2      PHE  16   0.711  11.834  -4.107
  119    HZ   PHE  16           HZ       PHE  16   1.429   9.888  -5.412
  120    H    SER  17           H        SER  17   0.924  10.798   1.360
  121    HA   SER  17           HA       SER  17   3.084  11.219  -0.216
  122   1HB   SER  17          1HB       SER  17   2.865  11.982   2.729
  123   2HB   SER  17          2HB       SER  17   3.858  12.780   1.526
  124    HG   SER  17           HG       SER  17   1.084  12.969   1.991
  125    H    LEU  18           H        LEU  18   2.930   9.522   2.987
  126    HA   LEU  18           HA       LEU  18   5.706   8.953   3.022
  127   1HB   LEU  18          1HB       LEU  18   3.387   7.782   4.563
  128   2HB   LEU  18          2HB       LEU  18   5.075   7.446   4.891
  129    HG   LEU  18           HG       LEU  18   4.070  10.283   4.904
  130   1HD1  LEU  18          1HD1      LEU  18   2.851   8.398   6.470
  131   2HD1  LEU  18          2HD1      LEU  18   4.157   8.973   7.534
  132   3HD1  LEU  18          3HD1      LEU  18   2.985  10.130   6.856
  133   1HD2  LEU  18          1HD2      LEU  18   6.387  10.262   5.036
  134   2HD2  LEU  18          2HD2      LEU  18   5.893  10.349   6.744
  135   3HD2  LEU  18          3HD2      LEU  18   6.423   8.799   6.049
  136    H    PHE  19           H        PHE  19   2.789   6.841   2.502
  137    HA   PHE  19           HA       PHE  19   3.988   4.529   1.887
  138   1HB   PHE  19          1HB       PHE  19   1.663   6.035   0.559
  139   2HB   PHE  19          2HB       PHE  19   1.991   4.353   0.190
  140    HD1  PHE  19           HD1      PHE  19  -0.308   6.089   1.765
  141    HD2  PHE  19           HD2      PHE  19   2.629   3.204   2.791
  142    HE1  PHE  19           HE1      PHE  19  -1.688   5.387   3.741
  143    HE2  PHE  19           HE2      PHE  19   1.249   2.501   4.766
  144    HZ   PHE  19           HZ       PHE  19  -0.893   3.601   5.218
  145    H    ASP  20           H        ASP  20   3.825   7.451  -0.177
  146    HA   ASP  20           HA       ASP  20   4.963   6.007  -2.377
  147   1HB   ASP  20          1HB       ASP  20   3.321   8.209  -2.197
  148   2HB   ASP  20          2HB       ASP  20   4.872   8.997  -2.404
  149    H    LYS  21           H        LYS  21   7.093   5.421  -1.585
  150    HA   LYS  21           HA       LYS  21   8.761   7.369  -0.346
  151   1HB   LYS  21          1HB       LYS  21   9.582   4.700  -1.514
  152   2HB   LYS  21          2HB       LYS  21  10.400   5.625  -0.271
  153   1HG   LYS  21          1HG       LYS  21   7.585   4.473   0.014
  154   2HG   LYS  21          2HG       LYS  21   9.032   3.706   0.637
  155   1HD   LYS  21          1HD       LYS  21   9.490   5.703   2.063
  156   2HD   LYS  21          2HD       LYS  21   8.064   6.496   1.424
  157   1HE   LYS  21          1HE       LYS  21   6.576   4.974   2.498
  158   2HE   LYS  21          2HE       LYS  21   7.820   3.759   2.714
  159   1HZ   LYS  21          1HZ       LYS  21   8.438   4.698   4.601
  160   2HZ   LYS  21          2HZ       LYS  21   8.481   6.207   3.979
  161   3HZ   LYS  21          3HZ       LYS  21   7.075   5.595   4.540
  162    H    ASP  22           H        ASP  22   8.897   5.633  -3.540
  163    HA   ASP  22           HA       ASP  22  10.983   7.051  -4.552
  164   1HB   ASP  22          1HB       ASP  22  10.166   6.356  -6.766
  165   2HB   ASP  22          2HB       ASP  22   9.962   5.049  -5.616
  166    H    GLY  23           H        GLY  23   7.406   7.668  -4.782
  167   1HA   GLY  23          1HA       GLY  23   6.378   9.731  -4.758
  168   2HA   GLY  23          2HA       GLY  23   7.911  10.524  -5.064
  169    H    ASP  24           H        ASP  24   6.383   7.771  -6.856
  170    HA   ASP  24           HA       ASP  24   6.420   9.518  -9.190
  171   1HB   ASP  24          1HB       ASP  24   7.084   7.718 -10.510
  172   2HB   ASP  24          2HB       ASP  24   7.868   7.298  -8.999
  173    H    GLY  25           H        GLY  25   4.362   8.641  -6.892
  174   1HA   GLY  25          1HA       GLY  25   2.076   8.713  -6.920
  175   2HA   GLY  25          2HA       GLY  25   2.071   8.510  -8.661
  176    H    THR  26           H        THR  26   4.175   6.165  -7.977
  177    HA   THR  26           HA       THR  26   2.058   4.183  -7.454
  178    HB   THR  26           HB       THR  26   4.674   3.806  -8.994
  179    HG1  THR  26           HG1      THR  26   3.426   5.311 -10.176
  180   1HG2  THR  26          1HG2      THR  26   3.928   1.652  -9.149
  181   2HG2  THR  26          2HG2      THR  26   2.471   2.063  -8.214
  182   3HG2  THR  26          3HG2      THR  26   2.478   2.261  -9.982
  183    H    ILE  27           H        ILE  27   2.387   2.542  -5.969
  184    HA   ILE  27           HA       ILE  27   4.670   3.038  -4.201
  185    HB   ILE  27           HB       ILE  27   1.876   2.070  -3.795
  186   1HG1  ILE  27          1HG1      ILE  27   2.129   3.586  -1.784
  187   2HG1  ILE  27          2HG1      ILE  27   3.699   4.051  -2.408
  188   1HG2  ILE  27          1HG2      ILE  27   3.038   1.581  -1.358
  189   2HG2  ILE  27          2HG2      ILE  27   2.573   0.346  -2.552
  190   3HG2  ILE  27          3HG2      ILE  27   4.250   0.939  -2.492
  191   1HD1  ILE  27          1HD1      ILE  27   1.690   4.181  -4.527
  192   2HD1  ILE  27          2HD1      ILE  27   1.199   5.157  -3.122
  193   3HD1  ILE  27          3HD1      ILE  27   2.763   5.462  -3.914
  194    H    THR  28           H        THR  28   6.374   1.806  -4.853
  195    HA   THR  28           HA       THR  28   5.940  -0.767  -6.050
  196    HB   THR  28           HB       THR  28   8.379   0.880  -5.220
  197    HG1  THR  28           HG1      THR  28   7.185   1.574  -7.102
  198   1HG2  THR  28          1HG2      THR  28   9.444  -1.198  -5.283
  199   2HG2  THR  28          2HG2      THR  28   8.145  -1.943  -6.245
  200   3HG2  THR  28          3HG2      THR  28   9.347  -0.895  -7.034
  201    H    THR  29           H        THR  29   6.686  -2.810  -5.251
  202    HA   THR  29           HA       THR  29   5.772  -3.561  -2.850
  203    HB   THR  29           HB       THR  29   7.248  -5.518  -3.119
  204    HG1  THR  29           HG1      THR  29   9.018  -5.181  -4.751
  205   1HG2  THR  29          1HG2      THR  29   6.588  -6.185  -5.258
  206   2HG2  THR  29          2HG2      THR  29   5.527  -4.767  -5.084
  207   3HG2  THR  29          3HG2      THR  29   7.052  -4.631  -5.991
  208    H    LYS  30           H        LYS  30   8.973  -2.052  -3.456
  209    HA   LYS  30           HA       LYS  30   9.913  -2.434  -0.835
  210   1HB   LYS  30          1HB       LYS  30  10.674  -0.543  -3.069
  211   2HB   LYS  30          2HB       LYS  30  11.497  -0.545  -1.522
  212   1HG   LYS  30          1HG       LYS  30  12.170  -2.875  -1.791
  213   2HG   LYS  30          2HG       LYS  30  11.145  -3.069  -3.199
  214   1HD   LYS  30          1HD       LYS  30  13.146  -2.675  -4.293
  215   2HD   LYS  30          2HD       LYS  30  12.620  -1.012  -4.120
  216   1HE   LYS  30          1HE       LYS  30  14.235  -0.517  -2.550
  217   2HE   LYS  30          2HE       LYS  30  14.104  -2.078  -1.765
  218   1HZ   LYS  30          1HZ       LYS  30  16.134  -1.404  -3.279
  219   2HZ   LYS  30          2HZ       LYS  30  15.646  -2.954  -3.111
  220   3HZ   LYS  30          3HZ       LYS  30  15.202  -2.096  -4.428
  221    H    GLU  31           H        GLU  31   8.318   0.380  -2.478
  222    HA   GLU  31           HA       GLU  31   8.366   2.108  -0.404
  223   1HB   GLU  31          1HB       GLU  31   6.075   1.690  -2.375
  224   2HB   GLU  31          2HB       GLU  31   6.350   3.145  -1.437
  225   1HG   GLU  31          1HG       GLU  31   8.684   3.263  -2.525
  226   2HG   GLU  31          2HG       GLU  31   8.159   1.983  -3.601
  227    H    LEU  32           H        LEU  32   6.268  -0.738  -0.890
  228    HA   LEU  32           HA       LEU  32   4.449  -0.064   1.181
  229   1HB   LEU  32          1HB       LEU  32   3.998  -1.548  -0.776
  230   2HB   LEU  32          2HB       LEU  32   5.038  -2.758  -0.051
  231    HG   LEU  32           HG       LEU  32   2.370  -1.749   0.938
  232   1HD1  LEU  32          1HD1      LEU  32   1.673  -3.530  -0.197
  233   2HD1  LEU  32          2HD1      LEU  32   3.335  -4.115  -0.450
  234   3HD1  LEU  32          3HD1      LEU  32   2.466  -4.526   1.048
  235   1HD2  LEU  32          1HD2      LEU  32   2.778  -3.360   2.888
  236   2HD2  LEU  32          2HD2      LEU  32   4.505  -3.218   2.481
  237   3HD2  LEU  32          3HD2      LEU  32   3.577  -1.771   2.944
  238    H    GLY  33           H        GLY  33   7.174  -2.460   0.944
  239   1HA   GLY  33          1HA       GLY  33   7.101  -3.244   3.630
  240   2HA   GLY  33          2HA       GLY  33   8.461  -3.387   2.535
  241    H    THR  34           H        THR  34   8.249  -0.294   2.084
  242    HA   THR  34           HA       THR  34  10.203   0.384   4.025
  243    HB   THR  34           HB       THR  34   8.581   2.065   2.040
  244    HG1  THR  34           HG1      THR  34  10.735   1.683   0.906
  245   1HG2  THR  34          1HG2      THR  34   9.811   3.851   2.752
  246   2HG2  THR  34          2HG2      THR  34  10.507   2.846   4.047
  247   3HG2  THR  34          3HG2      THR  34  11.306   2.930   2.459
  248    H    VAL  35           H        VAL  35   6.765   1.436   3.550
  249    HA   VAL  35           HA       VAL  35   6.677   3.059   5.795
  250    HB   VAL  35           HB       VAL  35   4.598   1.505   4.264
  251   1HG1  VAL  35          1HG1      VAL  35   3.021   1.924   5.784
  252   2HG1  VAL  35          2HG1      VAL  35   4.285   2.515   6.890
  253   3HG1  VAL  35          3HG1      VAL  35   3.449   3.652   5.806
  254   1HG2  VAL  35          1HG2      VAL  35   5.784   4.228   4.143
  255   2HG2  VAL  35          2HG2      VAL  35   5.150   3.189   2.844
  256   3HG2  VAL  35          3HG2      VAL  35   4.029   4.115   3.871
  257    H    MET  36           H        MET  36   5.711  -0.422   5.406
  258    HA   MET  36           HA       MET  36   4.815  -0.955   7.847
  259   1HB   MET  36          1HB       MET  36   6.767  -2.596   6.141
  260   2HB   MET  36          2HB       MET  36   5.887  -3.272   7.498
  261   1HG   MET  36          1HG       MET  36   4.465  -1.879   5.187
  262   2HG   MET  36          2HG       MET  36   4.840  -3.590   5.148
  263   1HE   MET  36          1HE       MET  36   2.761  -0.834   7.430
  264   2HE   MET  36          2HE       MET  36   2.514  -1.101   5.688
  265   3HE   MET  36          3HE       MET  36   1.292  -1.659   6.856
  266    H    ARG  37           H        ARG  37   8.290  -0.678   6.905
  267    HA   ARG  37           HA       ARG  37   9.345  -1.544   9.280
  268   1HB   ARG  37          1HB       ARG  37  10.258   0.017   6.930
  269   2HB   ARG  37          2HB       ARG  37  11.129   0.430   8.393
  270   1HG   ARG  37          1HG       ARG  37  11.273  -2.217   8.699
  271   2HG   ARG  37          2HG       ARG  37  10.967  -2.237   6.974
  272   1HD   ARG  37          1HD       ARG  37  12.931  -0.265   7.200
  273   2HD   ARG  37          2HD       ARG  37  13.407  -1.405   8.442
  274    HE   ARG  37           HE       ARG  37  12.853  -3.035   6.268
  275   1HH1  ARG  37          2HH2      ARG  37  14.930  -0.237   6.760
  276   2HH1  ARG  37          1HH2      ARG  37  16.088  -0.728   5.570
  277   1HH2  ARG  37          2HH1      ARG  37  14.381  -3.683   4.698
  278   2HH2  ARG  37          1HH1      ARG  37  15.774  -2.701   4.389
  279    H    SER  38           H        SER  38   8.326   1.754   8.196
  280    HA   SER  38           HA       SER  38   9.290   3.195  10.291
  281   1HB   SER  38          1HB       SER  38   8.316   4.265   8.338
  282   2HB   SER  38          2HB       SER  38   6.749   3.545   8.649
  283    HG   SER  38           HG       SER  38   7.254   5.900   9.356
  284    H    LEU  39           H        LEU  39   6.791   0.772  10.252
  285    HA   LEU  39           HA       LEU  39   5.533   1.783  12.661
  286   1HB   LEU  39          1HB       LEU  39   4.990  -0.652  10.957
  287   2HB   LEU  39          2HB       LEU  39   4.065  -0.194  12.373
  288    HG   LEU  39           HG       LEU  39   4.288   1.330   9.767
  289   1HD1  LEU  39          1HD1      LEU  39   1.816   0.944   9.712
  290   2HD1  LEU  39          2HD1      LEU  39   2.801  -0.531   9.566
  291   3HD1  LEU  39          3HD1      LEU  39   2.008  -0.139  11.111
  292   1HD2  LEU  39          1HD2      LEU  39   4.233   3.035  11.381
  293   2HD2  LEU  39          2HD2      LEU  39   2.543   2.843  10.856
  294   3HD2  LEU  39          3HD2      LEU  39   3.078   2.151  12.407
  295    H    GLY  40           H        GLY  40   8.464   0.753  12.330
  296   1HA   GLY  40          1HA       GLY  40   9.818  -0.056  14.006
  297   2HA   GLY  40          2HA       GLY  40   8.433  -0.764  14.814
  298    H    GLN  41           H        GLN  41   7.270  -2.225  12.624
  299    HA   GLN  41           HA       GLN  41   8.571  -4.586  12.831
  300   1HB   GLN  41          1HB       GLN  41   6.546  -3.439  10.949
  301   2HB   GLN  41          2HB       GLN  41   7.330  -4.917  10.428
  302   1HG   GLN  41          1HG       GLN  41   6.098  -4.621  13.201
  303   2HG   GLN  41          2HG       GLN  41   5.173  -5.182  11.823
  304   1HE2  GLN  41          1HE2      GLN  41   4.880  -7.267  12.052
  305   2HE2  GLN  41          2HE2      GLN  41   6.086  -8.460  12.401
  306    H    ASN  42           H        ASN  42   9.284  -5.852  10.596
  307    HA   ASN  42           HA       ASN  42  10.957  -4.162   9.001
  308   1HB   ASN  42          1HB       ASN  42  12.078  -5.364  11.290
  309   2HB   ASN  42          2HB       ASN  42  12.503  -6.482  10.008
  310   1HD2  ASN  42          1HD2      ASN  42  12.408  -3.010  10.763
  311   2HD2  ASN  42          2HD2      ASN  42  13.869  -2.563   9.948
  312    HA   PRO  43           HA       PRO  43   9.190  -7.991   7.139
  313   1HB   PRO  43          1HB       PRO  43   7.523  -6.835   5.307
  314   2HB   PRO  43          2HB       PRO  43   6.986  -7.373   6.887
  315   1HG   PRO  43          1HG       PRO  43   7.474  -4.617   5.934
  316   2HG   PRO  43          2HG       PRO  43   6.553  -5.151   7.326
  317   1HD   PRO  43          1HD       PRO  43   9.189  -4.020   7.344
  318   2HD   PRO  43          2HD       PRO  43   8.314  -4.659   8.720
  319    H    THR  44           H        THR  44   9.248  -8.827   4.837
  320    HA   THR  44           HA       THR  44  11.487  -7.424   3.531
  321    HB   THR  44           HB       THR  44  11.775  -9.896   2.591
  322    HG1  THR  44           HG1      THR  44   9.626 -10.378   3.709
  323   1HG2  THR  44          1HG2      THR  44  12.952 -10.604   4.746
  324   2HG2  THR  44          2HG2      THR  44  13.460  -9.011   4.135
  325   3HG2  THR  44          3HG2      THR  44  12.324  -9.120   5.501
  326    H    GLU  45           H        GLU  45  11.443  -7.051   1.318
  327    HA   GLU  45           HA       GLU  45   8.987  -6.496   0.259
  328   1HB   GLU  45          1HB       GLU  45  10.174  -6.137  -1.861
  329   2HB   GLU  45          2HB       GLU  45  11.128  -5.519  -0.527
  330   1HG   GLU  45          1HG       GLU  45  11.831  -8.293  -0.886
  331   2HG   GLU  45          2HG       GLU  45  11.853  -7.534  -2.465
  332    H    ALA  46           H        ALA  46  10.635  -9.551   0.551
  333    HA   ALA  46           HA       ALA  46   9.557 -10.865  -1.683
  334   1HB   ALA  46          1HB       ALA  46   9.951 -12.855   0.119
  335   2HB   ALA  46          2HB       ALA  46  11.273 -12.084  -0.790
  336   3HB   ALA  46          3HB       ALA  46  10.917 -11.566   0.875
  337    H    GLU  47           H        GLU  47   8.566 -10.980   1.819
  338    HA   GLU  47           HA       GLU  47   6.266 -12.405   1.362
  339   1HB   GLU  47          1HB       GLU  47   7.304 -10.643   3.554
  340   2HB   GLU  47          2HB       GLU  47   5.591 -11.008   3.590
  341   1HG   GLU  47          1HG       GLU  47   7.236 -13.393   3.011
  342   2HG   GLU  47          2HG       GLU  47   7.648 -12.657   4.547
  343    H    LEU  48           H        LEU  48   6.917  -8.879   1.224
  344    HA   LEU  48           HA       LEU  48   4.185  -8.154   0.988
  345   1HB   LEU  48          1HB       LEU  48   6.821  -6.778   0.618
  346   2HB   LEU  48          2HB       LEU  48   5.348  -6.003   0.072
  347    HG   LEU  48           HG       LEU  48   5.906  -5.185   2.259
  348   1HD1  LEU  48          1HD1      LEU  48   3.775  -5.111   2.897
  349   2HD1  LEU  48          2HD1      LEU  48   3.439  -6.258   1.577
  350   3HD1  LEU  48          3HD1      LEU  48   3.728  -6.860   3.227
  351   1HD2  LEU  48          1HD2      LEU  48   7.302  -6.804   3.211
  352   2HD2  LEU  48          2HD2      LEU  48   5.842  -6.826   4.229
  353   3HD2  LEU  48          3HD2      LEU  48   6.097  -8.099   3.011
  354    H    GLN  49           H        GLN  49   6.636  -9.419  -1.185
  355    HA   GLN  49           HA       GLN  49   5.709  -8.381  -3.557
  356   1HB   GLN  49          1HB       GLN  49   7.849  -9.711  -3.122
  357   2HB   GLN  49          2HB       GLN  49   6.876 -11.168  -3.168
  358   1HG   GLN  49          1HG       GLN  49   6.205 -10.747  -5.473
  359   2HG   GLN  49          2HG       GLN  49   6.894  -9.136  -5.443
  360   1HE2  GLN  49          1HE2      GLN  49   8.091  -9.750  -7.298
  361   2HE2  GLN  49          2HE2      GLN  49   9.557 -10.663  -7.172
  362    H    ASP  50           H        ASP  50   4.552 -11.104  -1.552
  363    HA   ASP  50           HA       ASP  50   2.890 -12.179  -3.534
  364   1HB   ASP  50          1HB       ASP  50   3.722 -13.306  -1.387
  365   2HB   ASP  50          2HB       ASP  50   2.550 -12.346  -0.505
  366    H    MET  51           H        MET  51   2.617  -9.654  -1.010
  367    HA   MET  51           HA       MET  51  -0.186  -9.474  -1.099
  368   1HB   MET  51          1HB       MET  51   2.129  -7.860  -0.006
  369   2HB   MET  51          2HB       MET  51   0.583  -7.043  -0.134
  370   1HG   MET  51          1HG       MET  51   0.275  -9.729   1.028
  371   2HG   MET  51          2HG       MET  51   1.410  -8.764   1.951
  372   1HE   MET  51          1HE       MET  51  -2.477  -7.387   0.345
  373   2HE   MET  51          2HE       MET  51  -1.700  -8.971   0.106
  374   3HE   MET  51          3HE       MET  51  -2.885  -8.750   1.415
  375    H    ILE  52           H        ILE  52   2.446  -7.328  -2.415
  376    HA   ILE  52           HA       ILE  52   0.876  -5.514  -3.702
  377    HB   ILE  52           HB       ILE  52   2.824  -5.261  -5.257
  378   1HG1  ILE  52          1HG1      ILE  52   4.880  -6.636  -4.243
  379   2HG1  ILE  52          2HG1      ILE  52   3.618  -7.805  -3.906
  380   1HG2  ILE  52          1HG2      ILE  52   4.088  -5.336  -2.601
  381   2HG2  ILE  52          2HG2      ILE  52   3.820  -3.975  -3.716
  382   3HG2  ILE  52          3HG2      ILE  52   2.507  -4.521  -2.645
  383   1HD1  ILE  52          1HD1      ILE  52   2.993  -7.050  -6.501
  384   2HD1  ILE  52          2HD1      ILE  52   4.772  -6.974  -6.503
  385   3HD1  ILE  52          3HD1      ILE  52   3.946  -8.487  -6.058
  386    H    ASN  53           H        ASN  53   1.979  -8.745  -4.894
  387    HA   ASN  53           HA       ASN  53   0.883  -8.490  -7.409
  388   1HB   ASN  53          1HB       ASN  53   2.481 -10.296  -6.699
  389   2HB   ASN  53          2HB       ASN  53   1.230 -11.012  -5.701
  390   1HD2  ASN  53          1HD2      ASN  53   1.111 -12.929  -6.744
  391   2HD2  ASN  53          2HD2      ASN  53   0.511 -13.144  -8.355
  392    H    GLU  54           H        GLU  54  -0.458  -9.423  -4.221
  393    HA   GLU  54           HA       GLU  54  -2.837 -10.519  -5.229
  394   1HB   GLU  54          1HB       GLU  54  -2.029 -11.103  -3.001
  395   2HB   GLU  54          2HB       GLU  54  -2.087  -9.430  -2.484
  396   1HG   GLU  54          1HG       GLU  54  -4.172  -9.915  -1.702
  397   2HG   GLU  54          2HG       GLU  54  -4.685  -9.817  -3.375
  398    H    VAL  55           H        VAL  55  -2.155  -7.369  -3.529
  399    HA   VAL  55           HA       VAL  55  -4.679  -6.292  -3.953
  400    HB   VAL  55           HB       VAL  55  -3.645  -4.181  -3.387
  401   1HG1  VAL  55          1HG1      VAL  55  -3.995  -5.354  -1.432
  402   2HG1  VAL  55          2HG1      VAL  55  -2.854  -6.648  -1.871
  403   3HG1  VAL  55          3HG1      VAL  55  -2.241  -5.065  -1.335
  404   1HG2  VAL  55          1HG2      VAL  55  -1.094  -4.211  -2.978
  405   2HG2  VAL  55          2HG2      VAL  55  -1.078  -5.613  -4.074
  406   3HG2  VAL  55          3HG2      VAL  55  -1.676  -4.039  -4.651
  407    H    ASP  56           H        ASP  56  -1.629  -6.026  -5.889
  408    HA   ASP  56           HA       ASP  56  -2.343  -4.257  -7.730
  409   1HB   ASP  56          1HB       ASP  56  -0.184  -5.395  -7.779
  410   2HB   ASP  56          2HB       ASP  56  -0.942  -6.938  -8.117
  411    H    ALA  57           H        ALA  57  -4.341  -4.097  -8.778
  412    HA   ALA  57           HA       ALA  57  -5.685  -6.569  -9.548
  413   1HB   ALA  57          1HB       ALA  57  -6.796  -4.674  -8.227
  414   2HB   ALA  57          2HB       ALA  57  -6.725  -3.722  -9.729
  415   3HB   ALA  57          3HB       ALA  57  -7.659  -5.236  -9.678
  416    H    ASP  58           H        ASP  58  -4.840  -3.324 -10.963
  417    HA   ASP  58           HA       ASP  58  -5.530  -3.651 -13.472
  418   1HB   ASP  58          1HB       ASP  58  -3.054  -2.582 -13.913
  419   2HB   ASP  58          2HB       ASP  58  -4.408  -1.662 -13.287
  420    H    GLY  59           H        GLY  59  -2.781  -5.231 -11.789
  421   1HA   GLY  59          1HA       GLY  59  -1.917  -7.305 -12.367
  422   2HA   GLY  59          2HA       GLY  59  -2.533  -7.131 -13.998
  423    H    ASP  60           H        ASP  60   0.235  -6.908 -11.996
  424    HA   ASP  60           HA       ASP  60   1.926  -6.452 -14.099
  425   1HB   ASP  60          1HB       ASP  60   2.750  -4.183 -13.695
  426   2HB   ASP  60          2HB       ASP  60   1.031  -4.119 -14.031
  427    H    GLY  61           H        GLY  61   1.356  -5.572 -10.615
  428   1HA   GLY  61          1HA       GLY  61   2.420  -7.050  -8.977
  429   2HA   GLY  61          2HA       GLY  61   3.885  -6.952  -9.934
  430    H    THR  62           H        THR  62   1.509  -4.366  -9.016
  431    HA   THR  62           HA       THR  62   3.406  -3.204  -7.176
  432    HB   THR  62           HB       THR  62   2.566  -1.656  -9.679
  433    HG1  THR  62           HG1      THR  62   4.223  -2.832 -10.552
  434   1HG2  THR  62          1HG2      THR  62   4.709  -1.223  -7.531
  435   2HG2  THR  62          2HG2      THR  62   4.540  -0.242  -9.007
  436   3HG2  THR  62          3HG2      THR  62   3.257  -0.222  -7.772
  437    H    ILE  63           H        ILE  63   2.471  -1.153  -6.181
  438    HA   ILE  63           HA       ILE  63  -0.421  -1.577  -5.943
  439    HB   ILE  63           HB       ILE  63   1.208  -0.084  -3.933
  440   1HG1  ILE  63          1HG1      ILE  63   1.159  -3.090  -4.272
  441   2HG1  ILE  63          2HG1      ILE  63   2.559  -2.038  -4.224
  442   1HG2  ILE  63          1HG2      ILE  63  -1.428  -1.443  -4.087
  443   2HG2  ILE  63          2HG2      ILE  63  -0.552  -1.555  -2.541
  444   3HG2  ILE  63          3HG2      ILE  63  -0.940   0.039  -3.230
  445   1HD1  ILE  63          1HD1      ILE  63   2.624  -2.632  -2.012
  446   2HD1  ILE  63          2HD1      ILE  63   1.369  -1.382  -1.833
  447   3HD1  ILE  63          3HD1      ILE  63   0.905  -3.093  -1.987
  448    H    ASP  64           H        ASP  64  -1.444   0.676  -5.035
  449    HA   ASP  64           HA       ASP  64  -0.299   2.972  -6.196
  450   1HB   ASP  64          1HB       ASP  64  -2.854   1.882  -7.469
  451   2HB   ASP  64          2HB       ASP  64  -2.095   3.414  -7.856
  452    H    PHE  65           H        PHE  65  -2.264   4.788  -6.186
  453    HA   PHE  65           HA       PHE  65  -3.104   4.994  -3.567
  454   1HB   PHE  65          1HB       PHE  65  -3.194   6.412  -6.066
  455   2HB   PHE  65          2HB       PHE  65  -4.861   6.324  -5.533
  456    HD1  PHE  65           HD1      PHE  65  -4.772   6.643  -2.685
  457    HD2  PHE  65           HD2      PHE  65  -2.363   8.515  -5.634
  458    HE1  PHE  65           HE1      PHE  65  -4.379   8.578  -1.135
  459    HE2  PHE  65           HE2      PHE  65  -1.971  10.451  -4.085
  460    HZ   PHE  65           HZ       PHE  65  -2.983  10.459  -1.854
  461    HA   PRO  66           HA       PRO  66  -7.312   3.413  -5.060
  462   1HB   PRO  66          1HB       PRO  66  -7.560   2.300  -7.543
  463   2HB   PRO  66          2HB       PRO  66  -7.944   3.975  -7.201
  464   1HG   PRO  66          1HG       PRO  66  -5.587   2.861  -8.594
  465   2HG   PRO  66          2HG       PRO  66  -6.198   4.504  -8.613
  466   1HD   PRO  66          1HD       PRO  66  -3.931   3.533  -7.149
  467   2HD   PRO  66          2HD       PRO  66  -4.612   5.146  -7.078
  468    H    GLU  67           H        GLU  67  -4.559   1.600  -6.175
  469    HA   GLU  67           HA       GLU  67  -5.759  -0.891  -5.785
  470   1HB   GLU  67          1HB       GLU  67  -2.943   0.123  -6.132
  471   2HB   GLU  67          2HB       GLU  67  -3.162  -1.525  -5.577
  472   1HG   GLU  67          1HG       GLU  67  -4.713  -1.921  -7.552
  473   2HG   GLU  67          2HG       GLU  67  -4.323  -0.313  -8.129
  474    H    PHE  68           H        PHE  68  -3.276   0.878  -3.789
  475    HA   PHE  68           HA       PHE  68  -3.223  -0.847  -1.673
  476   1HB   PHE  68          1HB       PHE  68  -2.014   1.472  -2.352
  477   2HB   PHE  68          2HB       PHE  68  -3.248   2.186  -1.333
  478    HD1  PHE  68           HD1      PHE  68  -2.052   2.953   0.515
  479    HD2  PHE  68           HD2      PHE  68  -1.429  -1.021  -0.835
  480    HE1  PHE  68           HE1      PHE  68  -0.649   2.484   2.543
  481    HE2  PHE  68           HE2      PHE  68  -0.026  -1.490   1.192
  482    HZ   PHE  68           HZ       PHE  68   0.348   0.268   2.857
  483    H    LEU  69           H        LEU  69  -5.463   1.937  -2.253
  484    HA   LEU  69           HA       LEU  69  -6.742   2.068   0.118
  485   1HB   LEU  69          1HB       LEU  69  -7.708   3.598  -1.144
  486   2HB   LEU  69          2HB       LEU  69  -7.277   2.765  -2.624
  487    HG   LEU  69           HG       LEU  69  -9.295   1.288  -2.292
  488   1HD1  LEU  69          1HD1      LEU  69 -10.315   3.350  -0.355
  489   2HD1  LEU  69          2HD1      LEU  69 -10.918   1.708  -0.690
  490   3HD1  LEU  69          3HD1      LEU  69  -9.403   1.932   0.218
  491   1HD2  LEU  69          1HD2      LEU  69 -10.709   2.748  -3.405
  492   2HD2  LEU  69          2HD2      LEU  69 -10.157   4.162  -2.475
  493   3HD2  LEU  69          3HD2      LEU  69  -9.102   3.447  -3.718
  494    H    THR  70           H        THR  70  -7.298  -0.345  -2.513
  495    HA   THR  70           HA       THR  70  -9.434  -1.641  -1.207
  496    HB   THR  70           HB       THR  70  -7.457  -2.355  -3.419
  497    HG1  THR  70           HG1      THR  70  -9.075  -1.000  -4.181
  498   1HG2  THR  70          1HG2      THR  70 -10.010  -3.905  -2.947
  499   2HG2  THR  70          2HG2      THR  70  -8.535  -4.405  -3.810
  500   3HG2  THR  70          3HG2      THR  70  -8.561  -4.383  -2.030
  501    H    MET  71           H        MET  71  -5.875  -2.259  -1.253
  502    HA   MET  71           HA       MET  71  -5.884  -4.593   0.123
  503   1HB   MET  71          1HB       MET  71  -3.884  -3.423  -0.881
  504   2HB   MET  71          2HB       MET  71  -3.943  -2.230   0.402
  505   1HG   MET  71          1HG       MET  71  -3.874  -4.498   1.922
  506   2HG   MET  71          2HG       MET  71  -3.030  -5.088   0.504
  507   1HE   MET  71          1HE       MET  71  -1.003  -5.441   0.855
  508   2HE   MET  71          2HE       MET  71  -0.235  -4.097  -0.023
  509   3HE   MET  71          3HE       MET  71   0.261  -4.469   1.645
  510    H    MET  72           H        MET  72  -5.496  -1.276   1.581
  511    HA   MET  72           HA       MET  72  -5.514  -2.103   4.184
  512   1HB   MET  72          1HB       MET  72  -5.578   0.342   2.703
  513   2HB   MET  72          2HB       MET  72  -6.934   0.449   3.809
  514   1HG   MET  72          1HG       MET  72  -5.278   1.253   5.220
  515   2HG   MET  72          2HG       MET  72  -5.110  -0.454   5.577
  516   1HE   MET  72          1HE       MET  72  -3.133   0.111   6.544
  517   2HE   MET  72          2HE       MET  72  -1.638  -0.362   5.701
  518   3HE   MET  72          3HE       MET  72  -2.045   1.361   5.893
  519    H    ALA  73           H        ALA  73  -8.318  -0.886   2.210
  520    HA   ALA  73           HA       ALA  73 -10.263  -1.138   4.126
  521   1HB   ALA  73          1HB       ALA  73 -11.511  -1.836   1.738
  522   2HB   ALA  73          2HB       ALA  73 -11.227  -0.179   2.323
  523   3HB   ALA  73          3HB       ALA  73 -10.071  -0.937   1.202
  524    H    ARG  74           H        ARG  74  -9.364  -3.592   1.591
  525    HA   ARG  74           HA       ARG  74 -11.016  -5.543   2.592
  526   1HB   ARG  74          1HB       ARG  74  -8.441  -5.662   0.963
  527   2HB   ARG  74          2HB       ARG  74  -9.336  -7.116   1.355
  528   1HG   ARG  74          1HG       ARG  74 -10.912  -4.834   0.198
  529   2HG   ARG  74          2HG       ARG  74  -9.810  -5.657  -0.887
  530   1HD   ARG  74          1HD       ARG  74 -11.325  -7.590   0.722
  531   2HD   ARG  74          2HD       ARG  74 -12.406  -6.511  -0.137
  532    HE   ARG  74           HE       ARG  74 -10.834  -8.600  -1.317
  533   1HH1  ARG  74          2HH2      ARG  74 -11.851  -5.289  -1.938
  534   2HH1  ARG  74          1HH2      ARG  74 -11.755  -5.448  -3.660
  535   1HH2  ARG  74          2HH1      ARG  74 -10.707  -8.810  -3.588
  536   2HH2  ARG  74          1HH1      ARG  74 -11.100  -7.464  -4.605
  537    H    LYS  75           H        LYS  75  -7.991  -4.273   3.778
  538    HA   LYS  75           HA       LYS  75  -6.892  -6.499   5.006
  539   1HB   LYS  75          1HB       LYS  75  -6.077  -4.000   4.682
  540   2HB   LYS  75          2HB       LYS  75  -6.738  -3.796   6.292
  541   1HG   LYS  75          1HG       LYS  75  -4.464  -4.419   6.654
  542   2HG   LYS  75          2HG       LYS  75  -5.378  -5.879   6.980
  543   1HD   LYS  75          1HD       LYS  75  -4.489  -5.479   4.141
  544   2HD   LYS  75          2HD       LYS  75  -3.224  -5.808   5.309
  545   1HE   LYS  75          1HE       LYS  75  -5.122  -7.692   6.033
  546   2HE   LYS  75          2HE       LYS  75  -5.380  -7.599   4.302
  547   1HZ   LYS  75          1HZ       LYS  75  -2.637  -7.737   5.190
  548   2HZ   LYS  75          2HZ       LYS  75  -3.529  -9.094   5.367
  549   3HZ   LYS  75          3HZ       LYS  75  -3.347  -8.424   3.889
  550    H    MET  76           H        MET  76  -9.117  -3.994   6.419
  551    HA   MET  76           HA       MET  76  -9.410  -5.324   8.825
  552   1HB   MET  76          1HB       MET  76 -11.214  -3.732   9.205
  553   2HB   MET  76          2HB       MET  76 -10.033  -2.901   8.212
  554   1HG   MET  76          1HG       MET  76 -11.723  -2.464   6.752
  555   2HG   MET  76          2HG       MET  76 -11.681  -4.161   6.318
  556   1HE   MET  76          1HE       MET  76 -14.551  -5.655   7.077
  557   2HE   MET  76          2HE       MET  76 -15.015  -4.214   6.140
  558   3HE   MET  76          3HE       MET  76 -13.438  -4.990   5.858
  559    H    LYS  77           H        LYS  77 -10.881  -5.845   5.659
  560    HA   LYS  77           HA       LYS  77 -13.216  -7.138   6.473
  561   1HB   LYS  77          1HB       LYS  77 -12.742  -6.275   4.192
  562   2HB   LYS  77          2HB       LYS  77 -11.579  -7.565   3.955
  563   1HG   LYS  77          1HG       LYS  77 -13.550  -8.444   2.987
  564   2HG   LYS  77          2HG       LYS  77 -13.524  -9.192   4.571
  565   1HD   LYS  77          1HD       LYS  77 -15.759  -8.403   4.334
  566   2HD   LYS  77          2HD       LYS  77 -14.994  -7.222   5.378
  567   1HE   LYS  77          1HE       LYS  77 -16.016  -5.802   3.832
  568   2HE   LYS  77          2HE       LYS  77 -14.438  -5.977   3.091
  569   1HZ   LYS  77          1HZ       LYS  77 -16.234  -8.042   2.336
  570   2HZ   LYS  77          2HZ       LYS  77 -16.786  -6.562   1.923
  571   3HZ   LYS  77          3HZ       LYS  77 -15.323  -7.064   1.397
  572    H    ASP  78           H        ASP  78  -9.980  -8.499   5.529
  573    HA   ASP  78           HA       ASP  78 -10.543 -11.101   5.921
  574   1HB   ASP  78          1HB       ASP  78  -8.257  -9.554   5.502
  575   2HB   ASP  78          2HB       ASP  78  -7.925 -10.288   7.058
  576    H    THR  79           H        THR  79  -9.026  -8.829   8.347
  577    HA   THR  79           HA       THR  79  -9.122 -10.571  10.513
  578    HB   THR  79           HB       THR  79  -8.778  -8.454  11.808
  579    HG1  THR  79           HG1      THR  79  -9.047  -6.476  10.518
  580   1HG2  THR  79          1HG2      THR  79  -7.412  -8.041   9.118
  581   2HG2  THR  79          2HG2      THR  79  -6.777  -7.698  10.745
  582   3HG2  THR  79          3HG2      THR  79  -6.926  -9.381  10.184
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1 -20.018   6.295  -1.118
    2    HA   ALA   1           HA       ALA   1 -17.725   5.743  -0.451
    3   1HB   ALA   1          1HB       ALA   1 -16.029   7.294  -0.610
    4   2HB   ALA   1          2HB       ALA   1 -17.050   7.857  -1.955
    5   3HB   ALA   1          3HB       ALA   1 -17.123   8.678  -0.377
    6    H    ASP   2           H        ASP   2 -20.221   5.811   0.731
    7    HA   ASP   2           HA       ASP   2 -19.828   7.528   3.045
    8   1HB   ASP   2          1HB       ASP   2 -22.284   6.015   2.040
    9   2HB   ASP   2          2HB       ASP   2 -22.252   6.938   3.529
   10    H    GLN   3           H        GLN   3 -18.248   5.098   2.646
   11    HA   GLN   3           HA       GLN   3 -19.444   3.397   4.694
   12   1HB   GLN   3          1HB       GLN   3 -18.651   2.691   2.078
   13   2HB   GLN   3          2HB       GLN   3 -17.362   2.088   3.100
   14   1HG   GLN   3          1HG       GLN   3 -20.147   1.590   4.087
   15   2HG   GLN   3          2HG       GLN   3 -19.686   0.721   2.637
   16   1HE2  GLN   3          1HE2      GLN   3 -20.047   0.191   5.682
   17   2HE2  GLN   3          2HE2      GLN   3 -18.705  -0.823   6.094
   18    H    LEU   4           H        LEU   4 -16.342   4.594   3.245
   19    HA   LEU   4           HA       LEU   4 -15.273   5.323   5.710
   20   1HB   LEU   4          1HB       LEU   4 -13.910   3.636   6.384
   21   2HB   LEU   4          2HB       LEU   4 -15.301   2.732   5.819
   22    HG   LEU   4           HG       LEU   4 -13.044   3.225   3.910
   23   1HD1  LEU   4          1HD1      LEU   4 -12.814   0.757   5.521
   24   2HD1  LEU   4          2HD1      LEU   4 -11.556   1.824   4.853
   25   3HD1  LEU   4          3HD1      LEU   4 -12.391   2.269   6.360
   26   1HD2  LEU   4          1HD2      LEU   4 -14.560   0.660   4.232
   27   2HD2  LEU   4          2HD2      LEU   4 -15.348   2.058   3.463
   28   3HD2  LEU   4          3HD2      LEU   4 -13.847   1.393   2.775
   29    H    THR   5           H        THR   5 -14.749   4.147   2.361
   30    HA   THR   5           HA       THR   5 -12.310   5.050   1.733
   31    HB   THR   5           HB       THR   5 -14.972   5.224   0.251
   32    HG1  THR   5           HG1      THR   5 -14.155   3.232  -0.474
   33   1HG2  THR   5          1HG2      THR   5 -12.146   5.581  -0.879
   34   2HG2  THR   5          2HG2      THR   5 -13.644   5.457  -1.832
   35   3HG2  THR   5          3HG2      THR   5 -13.369   6.871  -0.787
   36    H    GLU   6           H        GLU   6 -15.098   7.082   2.586
   37    HA   GLU   6           HA       GLU   6 -14.060   9.457   1.607
   38   1HB   GLU   6          1HB       GLU   6 -16.404   9.255   2.241
   39   2HB   GLU   6          2HB       GLU   6 -15.981   8.881   3.900
   40   1HG   GLU   6          1HG       GLU   6 -15.306  11.097   4.377
   41   2HG   GLU   6          2HG       GLU   6 -15.001  11.478   2.693
   42    H    GLU   7           H        GLU   7 -14.086   8.188   5.023
   43    HA   GLU   7           HA       GLU   7 -12.305  10.187   5.875
   44   1HB   GLU   7          1HB       GLU   7 -12.221   8.823   7.985
   45   2HB   GLU   7          2HB       GLU   7 -13.851   9.191   7.457
   46   1HG   GLU   7          1HG       GLU   7 -14.340   6.992   6.958
   47   2HG   GLU   7          2HG       GLU   7 -12.730   6.656   6.352
   48    H    GLN   8           H        GLN   8 -11.961   6.972   4.448
   49    HA   GLN   8           HA       GLN   8  -9.346   6.525   5.362
   50   1HB   GLN   8          1HB       GLN   8 -11.308   5.199   3.669
   51   2HB   GLN   8          2HB       GLN   8  -9.731   5.131   2.909
   52   1HG   GLN   8          1HG       GLN   8  -9.897   3.190   4.337
   53   2HG   GLN   8          2HG       GLN   8  -8.774   4.290   5.112
   54   1HE2  GLN   8          1HE2      GLN   8  -9.204   3.216   7.075
   55   2HE2  GLN   8          2HE2      GLN   8 -10.618   3.556   8.016
   56    H    ILE   9           H        ILE   9 -10.639   7.478   2.092
   57    HA   ILE   9           HA       ILE   9  -8.179   7.959   0.932
   58    HB   ILE   9           HB       ILE   9  -9.394   9.168  -0.746
   59   1HG1  ILE   9          1HG1      ILE   9 -12.039   9.280  -0.093
   60   2HG1  ILE   9          2HG1      ILE   9 -11.311   9.642   1.460
   61   1HG2  ILE   9          1HG2      ILE   9  -9.782   6.996  -1.242
   62   2HG2  ILE   9          2HG2      ILE   9 -10.462   6.629   0.362
   63   3HG2  ILE   9          3HG2      ILE   9 -11.459   7.452  -0.861
   64   1HD1  ILE   9          1HD1      ILE   9  -9.773  11.158  -0.325
   65   2HD1  ILE   9          2HD1      ILE   9 -11.425  11.288  -0.975
   66   3HD1  ILE   9          3HD1      ILE   9 -11.088  11.773   0.704
   67    H    ALA  10           H        ALA  10  -9.854   9.684   3.442
   68    HA   ALA  10           HA       ALA  10  -8.781  12.249   2.919
   69   1HB   ALA  10          1HB       ALA  10 -10.787  11.422   4.421
   70   2HB   ALA  10          2HB       ALA  10  -9.528  11.269   5.670
   71   3HB   ALA  10          3HB       ALA  10  -9.838  12.847   4.907
   72    H    GLU  11           H        GLU  11  -7.919   9.689   5.359
   73    HA   GLU  11           HA       GLU  11  -5.553  11.044   6.051
   74   1HB   GLU  11          1HB       GLU  11  -6.864   8.440   6.737
   75   2HB   GLU  11          2HB       GLU  11  -5.135   8.530   7.006
   76   1HG   GLU  11          1HG       GLU  11  -5.396  10.511   8.433
   77   2HG   GLU  11          2HG       GLU  11  -7.101  10.621   8.046
   78    H    PHE  12           H        PHE  12  -6.348   8.208   3.959
   79    HA   PHE  12           HA       PHE  12  -3.837   7.325   3.388
   80   1HB   PHE  12          1HB       PHE  12  -6.464   7.632   1.867
   81   2HB   PHE  12          2HB       PHE  12  -5.082   6.971   1.015
   82    HD1  PHE  12           HD1      PHE  12  -5.926   6.396   4.579
   83    HD2  PHE  12           HD2      PHE  12  -5.811   4.763   0.664
   84    HE1  PHE  12           HE1      PHE  12  -6.437   4.123   5.512
   85    HE2  PHE  12           HE2      PHE  12  -6.323   2.490   1.597
   86    HZ   PHE  12           HZ       PHE  12  -6.629   2.197   4.010
   87    H    LYS  13           H        LYS  13  -5.486  10.266   2.229
   88    HA   LYS  13           HA       LYS  13  -3.892  10.792   0.020
   89   1HB   LYS  13          1HB       LYS  13  -6.071  11.902   0.795
   90   2HB   LYS  13          2HB       LYS  13  -5.075  12.895   1.840
   91   1HG   LYS  13          1HG       LYS  13  -3.977  13.948   0.027
   92   2HG   LYS  13          2HG       LYS  13  -4.335  12.642  -1.085
   93   1HD   LYS  13          1HD       LYS  13  -6.856  13.658  -0.158
   94   2HD   LYS  13          2HD       LYS  13  -5.870  15.048  -0.565
   95   1HE   LYS  13          1HE       LYS  13  -5.336  13.376  -2.706
   96   2HE   LYS  13          2HE       LYS  13  -6.994  12.937  -2.344
   97   1HZ   LYS  13          1HZ       LYS  13  -7.650  15.173  -2.580
   98   2HZ   LYS  13          2HZ       LYS  13  -6.114  15.720  -2.653
   99   3HZ   LYS  13          3HZ       LYS  13  -6.723  14.831  -3.880
  100    H    GLU  14           H        GLU  14  -3.566  12.079   3.407
  101    HA   GLU  14           HA       GLU  14  -1.072  13.212   2.852
  102   1HB   GLU  14          1HB       GLU  14  -2.839  12.843   5.199
  103   2HB   GLU  14          2HB       GLU  14  -1.136  12.870   5.611
  104   1HG   GLU  14          1HG       GLU  14  -1.097  15.121   5.369
  105   2HG   GLU  14          2HG       GLU  14  -1.558  14.959   3.686
  106    H    ALA  15           H        ALA  15  -2.153  10.002   3.923
  107    HA   ALA  15           HA       ALA  15   0.314   9.126   4.953
  108   1HB   ALA  15          1HB       ALA  15  -0.759   7.071   5.154
  109   2HB   ALA  15          2HB       ALA  15  -2.150   8.180   5.106
  110   3HB   ALA  15          3HB       ALA  15  -1.677   7.282   3.644
  111    H    PHE  16           H        PHE  16  -1.207   9.034   1.681
  112    HA   PHE  16           HA       PHE  16   0.379   7.402   0.310
  113   1HB   PHE  16          1HB       PHE  16  -1.479   9.024  -0.466
  114   2HB   PHE  16          2HB       PHE  16  -0.286  10.308  -0.457
  115    HD1  PHE  16           HD1      PHE  16  -0.405   6.810  -1.784
  116    HD2  PHE  16           HD2      PHE  16   0.411  10.901  -2.560
  117    HE1  PHE  16           HE1      PHE  16   0.231   6.236  -4.143
  118    HE2  PHE  16           HE2      PHE  16   1.047  10.327  -4.919
  119    HZ   PHE  16           HZ       PHE  16   0.950   8.001  -5.683
  120    H    SER  17           H        SER  17   1.274  10.725   1.401
  121    HA   SER  17           HA       SER  17   3.571  11.045   0.025
  122   1HB   SER  17          1HB       SER  17   2.436  12.650   1.661
  123   2HB   SER  17          2HB       SER  17   3.225  11.780   2.962
  124    HG   SER  17           HG       SER  17   5.170  12.603   2.416
  125    H    LEU  18           H        LEU  18   3.176   9.459   3.277
  126    HA   LEU  18           HA       LEU  18   5.889   8.692   3.431
  127   1HB   LEU  18          1HB       LEU  18   3.455   7.656   4.891
  128   2HB   LEU  18          2HB       LEU  18   5.119   7.315   5.320
  129    HG   LEU  18           HG       LEU  18   3.970  10.115   5.246
  130   1HD1  LEU  18          1HD1      LEU  18   2.746   9.503   7.017
  131   2HD1  LEU  18          2HD1      LEU  18   3.658   7.992   7.253
  132   3HD1  LEU  18          3HD1      LEU  18   4.291   9.524   7.902
  133   1HD2  LEU  18          1HD2      LEU  18   5.922  10.846   6.254
  134   2HD2  LEU  18          2HD2      LEU  18   6.362   9.221   6.831
  135   3HD2  LEU  18          3HD2      LEU  18   6.516   9.624   5.104
  136    H    PHE  19           H        PHE  19   2.869   6.754   2.828
  137    HA   PHE  19           HA       PHE  19   3.941   4.357   2.323
  138   1HB   PHE  19          1HB       PHE  19   1.769   5.988   0.895
  139   2HB   PHE  19          2HB       PHE  19   2.023   4.299   0.504
  140    HD1  PHE  19           HD1      PHE  19  -0.346   5.971   1.888
  141    HD2  PHE  19           HD2      PHE  19   2.590   3.220   3.236
  142    HE1  PHE  19           HE1      PHE  19  -1.843   5.306   3.790
  143    HE2  PHE  19           HE2      PHE  19   1.093   2.554   5.138
  144    HZ   PHE  19           HZ       PHE  19  -1.105   3.605   5.392
  145    H    ASP  20           H        ASP  20   3.761   7.112  -0.019
  146    HA   ASP  20           HA       ASP  20   5.113   5.540  -1.984
  147   1HB   ASP  20          1HB       ASP  20   3.326   7.530  -2.218
  148   2HB   ASP  20          2HB       ASP  20   4.761   8.535  -2.186
  149    H    LYS  21           H        LYS  21   7.295   5.178  -1.392
  150    HA   LYS  21           HA       LYS  21   8.801   7.181  -0.037
  151   1HB   LYS  21          1HB       LYS  21   9.832   4.666  -1.369
  152   2HB   LYS  21          2HB       LYS  21  10.585   5.581  -0.079
  153   1HG   LYS  21          1HG       LYS  21   7.862   4.221   0.176
  154   2HG   LYS  21          2HG       LYS  21   9.367   3.485   0.688
  155   1HD   LYS  21          1HD       LYS  21   9.728   5.128   2.398
  156   2HD   LYS  21          2HD       LYS  21   8.559   6.234   1.705
  157   1HE   LYS  21          1HE       LYS  21   6.758   4.458   2.189
  158   2HE   LYS  21          2HE       LYS  21   7.975   3.581   3.097
  159   1HZ   LYS  21          1HZ       LYS  21   7.862   6.328   3.801
  160   2HZ   LYS  21          2HZ       LYS  21   6.438   5.570   4.053
  161   3HZ   LYS  21          3HZ       LYS  21   7.798   5.007   4.760
  162    H    ASP  22           H        ASP  22   9.022   5.677  -3.341
  163    HA   ASP  22           HA       ASP  22  10.998   7.231  -4.307
  164   1HB   ASP  22          1HB       ASP  22   8.530   6.017  -5.585
  165   2HB   ASP  22          2HB       ASP  22   9.620   6.978  -6.564
  166    H    GLY  23           H        GLY  23   7.434   7.770  -4.913
  167   1HA   GLY  23          1HA       GLY  23   6.337   9.813  -4.532
  168   2HA   GLY  23          2HA       GLY  23   7.862  10.667  -4.654
  169    H    ASP  24           H        ASP  24   6.527   8.116  -6.848
  170    HA   ASP  24           HA       ASP  24   6.707  10.106  -8.966
  171   1HB   ASP  24          1HB       ASP  24   6.624   7.900 -10.415
  172   2HB   ASP  24          2HB       ASP  24   8.123   8.370  -9.639
  173    H    GLY  25           H        GLY  25   4.660   7.966  -7.089
  174   1HA   GLY  25          1HA       GLY  25   2.288   8.503  -7.161
  175   2HA   GLY  25          2HA       GLY  25   2.391   8.506  -8.911
  176    H    THR  26           H        THR  26   4.129   6.164  -6.826
  177    HA   THR  26           HA       THR  26   2.139   4.126  -7.135
  178    HB   THR  26           HB       THR  26   3.851   2.687  -8.496
  179    HG1  THR  26           HG1      THR  26   4.640   5.459  -9.054
  180   1HG2  THR  26          1HG2      THR  26   2.965   3.402 -10.584
  181   2HG2  THR  26          2HG2      THR  26   1.718   3.946  -9.436
  182   3HG2  THR  26          3HG2      THR  26   2.905   5.107 -10.075
  183    H    ILE  27           H        ILE  27   2.241   2.788  -5.435
  184    HA   ILE  27           HA       ILE  27   4.547   3.084  -3.702
  185    HB   ILE  27           HB       ILE  27   1.754   2.064  -3.422
  186   1HG1  ILE  27          1HG1      ILE  27   1.996   3.534  -1.321
  187   2HG1  ILE  27          2HG1      ILE  27   3.490   4.109  -2.035
  188   1HG2  ILE  27          1HG2      ILE  27   2.426   0.341  -2.169
  189   2HG2  ILE  27          2HG2      ILE  27   4.097   0.944  -2.068
  190   3HG2  ILE  27          3HG2      ILE  27   2.858   1.565  -0.950
  191   1HD1  ILE  27          1HD1      ILE  27   0.765   4.860  -2.682
  192   2HD1  ILE  27          2HD1      ILE  27   2.287   5.564  -3.281
  193   3HD1  ILE  27          3HD1      ILE  27   1.552   4.181  -4.127
  194    H    THR  28           H        THR  28   6.078   2.007  -5.152
  195    HA   THR  28           HA       THR  28   5.764  -0.543  -6.159
  196    HB   THR  28           HB       THR  28   8.221   0.982  -5.151
  197    HG1  THR  28           HG1      THR  28   8.235   1.488  -7.459
  198   1HG2  THR  28          1HG2      THR  28   7.909  -1.582  -6.764
  199   2HG2  THR  28          2HG2      THR  28   9.282  -0.489  -7.059
  200   3HG2  THR  28          3HG2      THR  28   9.065  -1.232  -5.456
  201    H    THR  29           H        THR  29   6.582  -2.626  -5.484
  202    HA   THR  29           HA       THR  29   5.628  -3.474  -3.082
  203    HB   THR  29           HB       THR  29   6.938  -5.498  -3.551
  204    HG1  THR  29           HG1      THR  29   8.365  -3.593  -5.273
  205   1HG2  THR  29          1HG2      THR  29   6.703  -4.355  -6.338
  206   2HG2  THR  29          2HG2      THR  29   6.229  -5.962  -5.739
  207   3HG2  THR  29          3HG2      THR  29   5.211  -4.545  -5.388
  208    H    LYS  30           H        LYS  30   8.936  -2.227  -3.776
  209    HA   LYS  30           HA       LYS  30   9.940  -2.782  -1.221
  210   1HB   LYS  30          1HB       LYS  30  11.758  -1.285  -1.850
  211   2HB   LYS  30          2HB       LYS  30  11.362  -2.375  -3.163
  212   1HG   LYS  30          1HG       LYS  30   9.706  -0.312  -3.814
  213   2HG   LYS  30          2HG       LYS  30  10.942   0.591  -2.961
  214   1HD   LYS  30          1HD       LYS  30  11.794  -1.445  -5.031
  215   2HD   LYS  30          2HD       LYS  30  11.171   0.100  -5.574
  216   1HE   LYS  30          1HE       LYS  30  12.881   1.125  -3.834
  217   2HE   LYS  30          2HE       LYS  30  13.644  -0.451  -3.903
  218   1HZ   LYS  30          1HZ       LYS  30  13.146   0.265  -6.499
  219   2HZ   LYS  30          2HZ       LYS  30  13.733   1.615  -5.791
  220   3HZ   LYS  30          3HZ       LYS  30  14.597   0.229  -5.750
  221    H    GLU  31           H        GLU  31   8.214   0.046  -2.627
  222    HA   GLU  31           HA       GLU  31   8.584   1.749  -0.506
  223   1HB   GLU  31          1HB       GLU  31   6.262   1.494  -2.463
  224   2HB   GLU  31          2HB       GLU  31   6.443   2.842  -1.357
  225   1HG   GLU  31          1HG       GLU  31   8.667   3.377  -2.352
  226   2HG   GLU  31          2HG       GLU  31   8.521   2.009  -3.437
  227    H    LEU  32           H        LEU  32   6.126  -0.823  -1.062
  228    HA   LEU  32           HA       LEU  32   4.530  -0.187   1.154
  229   1HB   LEU  32          1HB       LEU  32   3.963  -1.604  -0.856
  230   2HB   LEU  32          2HB       LEU  32   4.899  -2.894  -0.127
  231    HG   LEU  32           HG       LEU  32   2.331  -1.659   0.869
  232   1HD1  LEU  32          1HD1      LEU  32   2.533  -4.558   0.844
  233   2HD1  LEU  32          2HD1      LEU  32   1.336  -3.484   0.079
  234   3HD1  LEU  32          3HD1      LEU  32   2.863  -3.854  -0.758
  235   1HD2  LEU  32          1HD2      LEU  32   3.467  -1.798   2.887
  236   2HD2  LEU  32          2HD2      LEU  32   2.638  -3.371   2.791
  237   3HD2  LEU  32          3HD2      LEU  32   4.371  -3.252   2.400
  238    H    GLY  33           H        GLY  33   7.372  -2.364   0.705
  239   1HA   GLY  33          1HA       GLY  33   7.307  -3.389   3.358
  240   2HA   GLY  33          2HA       GLY  33   8.621  -3.495   2.205
  241    H    THR  34           H        THR  34   8.502  -0.415   1.858
  242    HA   THR  34           HA       THR  34  10.469   0.155   3.833
  243    HB   THR  34           HB       THR  34   8.978   1.856   1.766
  244    HG1  THR  34           HG1      THR  34  10.344   0.182   0.893
  245   1HG2  THR  34          1HG2      THR  34  10.052   3.283   3.542
  246   2HG2  THR  34          2HG2      THR  34  11.579   2.404   3.292
  247   3HG2  THR  34          3HG2      THR  34  10.906   3.408   1.986
  248    H    VAL  35           H        VAL  35   7.181   1.579   3.236
  249    HA   VAL  35           HA       VAL  35   7.096   3.124   5.493
  250    HB   VAL  35           HB       VAL  35   5.506   3.199   3.641
  251   1HG1  VAL  35          1HG1      VAL  35   4.344   0.641   4.796
  252   2HG1  VAL  35          2HG1      VAL  35   3.700   1.576   3.425
  253   3HG1  VAL  35          3HG1      VAL  35   5.277   0.762   3.284
  254   1HG2  VAL  35          1HG2      VAL  35   4.990   4.020   6.031
  255   2HG2  VAL  35          2HG2      VAL  35   3.630   3.845   4.896
  256   3HG2  VAL  35          3HG2      VAL  35   3.916   2.604   6.140
  257    H    MET  36           H        MET  36   6.001  -0.314   5.095
  258    HA   MET  36           HA       MET  36   4.996  -0.798   7.503
  259   1HB   MET  36          1HB       MET  36   6.929  -2.495   5.836
  260   2HB   MET  36          2HB       MET  36   6.065  -3.150   7.212
  261   1HG   MET  36          1HG       MET  36   4.546  -1.727   4.998
  262   2HG   MET  36          2HG       MET  36   5.020  -3.403   4.803
  263   1HE   MET  36          1HE       MET  36   2.275  -5.229   6.351
  264   2HE   MET  36          2HE       MET  36   3.222  -4.847   4.893
  265   3HE   MET  36          3HE       MET  36   4.044  -5.432   6.360
  266    H    ARG  37           H        ARG  37   8.519  -0.698   6.693
  267    HA   ARG  37           HA       ARG  37   9.403  -1.529   9.164
  268   1HB   ARG  37          1HB       ARG  37  10.685   0.307   7.083
  269   2HB   ARG  37          2HB       ARG  37  11.554  -0.297   8.479
  270   1HG   ARG  37          1HG       ARG  37  10.452  -2.634   7.482
  271   2HG   ARG  37          2HG       ARG  37  10.718  -1.728   6.006
  272   1HD   ARG  37          1HD       ARG  37  12.974  -1.706   7.986
  273   2HD   ARG  37          2HD       ARG  37  12.654  -3.240   7.202
  274    HE   ARG  37           HE       ARG  37  13.247  -2.296   5.096
  275   1HH1  ARG  37          2HH2      ARG  37  13.278   0.129   7.646
  276   2HH1  ARG  37          1HH2      ARG  37  14.138   1.298   6.700
  277   1HH2  ARG  37          2HH1      ARG  37  14.382  -0.754   3.847
  278   2HH2  ARG  37          1HH1      ARG  37  14.770   0.792   4.525
  279    H    SER  38           H        SER  38   8.752   1.774   7.827
  280    HA   SER  38           HA       SER  38   9.699   3.208   9.963
  281   1HB   SER  38          1HB       SER  38   8.817   3.958   7.610
  282   2HB   SER  38          2HB       SER  38   7.249   4.053   8.386
  283    HG   SER  38           HG       SER  38   7.823   5.897   9.301
  284    H    LEU  39           H        LEU  39   6.933   1.118   9.706
  285    HA   LEU  39           HA       LEU  39   5.519   2.423  11.875
  286   1HB   LEU  39          1HB       LEU  39   4.920   0.031  10.137
  287   2HB   LEU  39          2HB       LEU  39   3.917   0.507  11.493
  288    HG   LEU  39           HG       LEU  39   4.525   2.291   9.121
  289   1HD1  LEU  39          1HD1      LEU  39   2.335   1.764   8.267
  290   2HD1  LEU  39          2HD1      LEU  39   3.258   0.256   8.479
  291   3HD1  LEU  39          3HD1      LEU  39   2.001   0.704   9.657
  292   1HD2  LEU  39          1HD2      LEU  39   3.419   3.933  10.146
  293   2HD2  LEU  39          2HD2      LEU  39   2.120   2.842  10.683
  294   3HD2  LEU  39          3HD2      LEU  39   3.615   2.983  11.638
  295    H    GLY  40           H        GLY  40   8.301   1.234  12.157
  296   1HA   GLY  40          1HA       GLY  40   9.282   0.364  14.038
  297   2HA   GLY  40          2HA       GLY  40   7.731  -0.231  14.597
  298    H    GLN  41           H        GLN  41   6.828  -1.747  12.392
  299    HA   GLN  41           HA       GLN  41   8.052  -4.133  12.838
  300   1HB   GLN  41          1HB       GLN  41   6.338  -3.102  10.559
  301   2HB   GLN  41          2HB       GLN  41   6.937  -4.749  10.543
  302   1HG   GLN  41          1HG       GLN  41   5.487  -3.628  12.972
  303   2HG   GLN  41          2HG       GLN  41   4.599  -4.299  11.619
  304   1HE2  GLN  41          1HE2      GLN  41   4.805  -5.209  14.375
  305   2HE2  GLN  41          2HE2      GLN  41   5.390  -6.839  14.345
  306    H    ASN  42           H        ASN  42   8.747  -5.436  10.504
  307    HA   ASN  42           HA       ASN  42  10.585  -3.887   9.011
  308   1HB   ASN  42          1HB       ASN  42  11.674  -4.663  11.371
  309   2HB   ASN  42          2HB       ASN  42  11.918  -6.160  10.493
  310   1HD2  ASN  42          1HD2      ASN  42  12.533  -2.698  10.518
  311   2HD2  ASN  42          2HD2      ASN  42  13.946  -2.698   9.517
  312    HA   PRO  43           HA       PRO  43   8.933  -7.883   7.368
  313   1HB   PRO  43          1HB       PRO  43   7.211  -6.909   5.483
  314   2HB   PRO  43          2HB       PRO  43   6.702  -7.388   7.090
  315   1HG   PRO  43          1HG       PRO  43   7.053  -4.666   5.991
  316   2HG   PRO  43          2HG       PRO  43   6.160  -5.169   7.413
  317   1HD   PRO  43          1HD       PRO  43   8.737  -3.911   7.362
  318   2HD   PRO  43          2HD       PRO  43   7.895  -4.519   8.773
  319    H    THR  44           H        THR  44   9.080  -8.867   5.153
  320    HA   THR  44           HA       THR  44  11.324  -7.507   3.833
  321    HB   THR  44           HB       THR  44  11.524  -9.934   2.839
  322    HG1  THR  44           HG1      THR  44  10.433 -11.389   4.525
  323   1HG2  THR  44          1HG2      THR  44  13.002 -10.471   4.534
  324   2HG2  THR  44          2HG2      THR  44  12.658  -8.819   5.101
  325   3HG2  THR  44          3HG2      THR  44  11.783 -10.201   5.803
  326    H    GLU  45           H        GLU  45  11.416  -7.375   1.517
  327    HA   GLU  45           HA       GLU  45   8.939  -6.583   0.474
  328   1HB   GLU  45          1HB       GLU  45  10.212  -6.138  -1.596
  329   2HB   GLU  45          2HB       GLU  45  11.066  -5.527  -0.193
  330   1HG   GLU  45          1HG       GLU  45  12.775  -7.078  -0.374
  331   2HG   GLU  45          2HG       GLU  45  11.715  -8.345  -0.959
  332    H    ALA  46           H        ALA  46  10.570  -9.641   0.701
  333    HA   ALA  46           HA       ALA  46   9.573 -10.834  -1.653
  334   1HB   ALA  46          1HB       ALA  46  10.002 -12.632   0.624
  335   2HB   ALA  46          2HB       ALA  46  10.857 -12.544  -0.934
  336   3HB   ALA  46          3HB       ALA  46  11.341 -11.479   0.408
  337    H    GLU  47           H        GLU  47   8.543 -11.157   1.825
  338    HA   GLU  47           HA       GLU  47   6.285 -12.607   1.279
  339   1HB   GLU  47          1HB       GLU  47   7.087 -10.771   3.550
  340   2HB   GLU  47          2HB       GLU  47   5.495 -11.504   3.542
  341   1HG   GLU  47          1HG       GLU  47   7.590 -13.469   2.901
  342   2HG   GLU  47          2HG       GLU  47   7.887 -12.695   4.445
  343    H    LEU  48           H        LEU  48   6.851  -9.066   1.260
  344    HA   LEU  48           HA       LEU  48   4.106  -8.396   1.016
  345   1HB   LEU  48          1HB       LEU  48   6.718  -6.966   0.761
  346   2HB   LEU  48          2HB       LEU  48   5.267  -6.201   0.146
  347    HG   LEU  48           HG       LEU  48   5.655  -5.386   2.352
  348   1HD1  LEU  48          1HD1      LEU  48   3.523  -7.259   3.135
  349   2HD1  LEU  48          2HD1      LEU  48   3.519  -5.483   3.028
  350   3HD1  LEU  48          3HD1      LEU  48   3.276  -6.463   1.562
  351   1HD2  LEU  48          1HD2      LEU  48   7.047  -6.799   3.489
  352   2HD2  LEU  48          2HD2      LEU  48   5.499  -7.189   4.277
  353   3HD2  LEU  48          3HD2      LEU  48   6.147  -8.259   3.011
  354    H    GLN  49           H        GLN  49   6.676  -9.405  -1.195
  355    HA   GLN  49           HA       GLN  49   5.739  -8.362  -3.530
  356   1HB   GLN  49          1HB       GLN  49   7.890  -9.663  -3.133
  357   2HB   GLN  49          2HB       GLN  49   6.949 -11.140  -3.193
  358   1HG   GLN  49          1HG       GLN  49   6.217 -10.635  -5.496
  359   2HG   GLN  49          2HG       GLN  49   7.014  -9.075  -5.443
  360   1HE2  GLN  49          1HE2      GLN  49   9.208  -8.906  -5.629
  361   2HE2  GLN  49          2HE2      GLN  49  10.246 -10.210  -6.102
  362    H    ASP  50           H        ASP  50   4.607 -11.200  -1.663
  363    HA   ASP  50           HA       ASP  50   2.979 -12.202  -3.706
  364   1HB   ASP  50          1HB       ASP  50   3.535 -13.714  -1.956
  365   2HB   ASP  50          2HB       ASP  50   3.143 -12.555  -0.701
  366    H    MET  51           H        MET  51   2.624  -9.827  -1.042
  367    HA   MET  51           HA       MET  51  -0.180  -9.673  -1.197
  368   1HB   MET  51          1HB       MET  51   2.088  -8.202   0.121
  369   2HB   MET  51          2HB       MET  51   0.620  -7.269  -0.090
  370   1HG   MET  51          1HG       MET  51  -0.421  -9.638   0.874
  371   2HG   MET  51          2HG       MET  51   1.134  -9.617   1.682
  372   1HE   MET  51          1HE       MET  51   1.456  -8.264   3.967
  373   2HE   MET  51          2HE       MET  51  -0.135  -8.007   4.722
  374   3HE   MET  51          3HE       MET  51   0.217  -9.540   3.889
  375    H    ILE  52           H        ILE  52   2.494  -7.503  -2.369
  376    HA   ILE  52           HA       ILE  52   0.909  -5.602  -3.564
  377    HB   ILE  52           HB       ILE  52   2.892  -5.117  -4.945
  378   1HG1  ILE  52          1HG1      ILE  52   4.977  -6.531  -4.301
  379   2HG1  ILE  52          2HG1      ILE  52   3.820  -7.770  -3.855
  380   1HG2  ILE  52          1HG2      ILE  52   3.105  -3.965  -3.006
  381   2HG2  ILE  52          2HG2      ILE  52   2.943  -5.416  -1.988
  382   3HG2  ILE  52          3HG2      ILE  52   4.490  -5.063  -2.795
  383   1HD1  ILE  52          1HD1      ILE  52   2.972  -6.758  -6.393
  384   2HD1  ILE  52          2HD1      ILE  52   4.730  -7.022  -6.496
  385   3HD1  ILE  52          3HD1      ILE  52   3.654  -8.362  -6.031
  386    H    ASN  53           H        ASN  53   2.024  -8.795  -4.793
  387    HA   ASN  53           HA       ASN  53   1.085  -8.394  -7.379
  388   1HB   ASN  53          1HB       ASN  53   2.688 -10.196  -6.794
  389   2HB   ASN  53          2HB       ASN  53   1.500 -10.961  -5.758
  390   1HD2  ASN  53          1HD2      ASN  53   1.946 -12.825  -7.093
  391   2HD2  ASN  53          2HD2      ASN  53   1.099 -13.056  -8.586
  392    H    GLU  54           H        GLU  54  -0.384  -9.421  -4.297
  393    HA   GLU  54           HA       GLU  54  -2.676 -10.580  -5.435
  394   1HB   GLU  54          1HB       GLU  54  -2.092 -11.240  -3.212
  395   2HB   GLU  54          2HB       GLU  54  -1.966  -9.582  -2.657
  396   1HG   GLU  54          1HG       GLU  54  -4.262  -9.328  -2.426
  397   2HG   GLU  54          2HG       GLU  54  -4.629 -10.389  -3.771
  398    H    VAL  55           H        VAL  55  -2.123  -7.412  -3.725
  399    HA   VAL  55           HA       VAL  55  -4.672  -6.408  -4.254
  400    HB   VAL  55           HB       VAL  55  -3.794  -4.325  -3.517
  401   1HG1  VAL  55          1HG1      VAL  55  -3.845  -5.333  -1.515
  402   2HG1  VAL  55          2HG1      VAL  55  -3.090  -6.816  -2.148
  403   3HG1  VAL  55          3HG1      VAL  55  -2.073  -5.441  -1.653
  404   1HG2  VAL  55          1HG2      VAL  55  -1.831  -4.172  -4.964
  405   2HG2  VAL  55          2HG2      VAL  55  -1.377  -3.891  -3.266
  406   3HG2  VAL  55          3HG2      VAL  55  -1.023  -5.457  -4.034
  407    H    ASP  56           H        ASP  56  -1.616  -6.409  -6.125
  408    HA   ASP  56           HA       ASP  56  -2.198  -4.504  -7.956
  409   1HB   ASP  56          1HB       ASP  56  -0.049  -5.684  -7.887
  410   2HB   ASP  56          2HB       ASP  56  -0.816  -7.203  -8.305
  411    H    ALA  57           H        ALA  57  -4.117  -4.325  -9.133
  412    HA   ALA  57           HA       ALA  57  -5.415  -6.803  -9.991
  413   1HB   ALA  57          1HB       ALA  57  -6.676  -4.102 -10.299
  414   2HB   ALA  57          2HB       ALA  57  -7.410  -5.661  -9.850
  415   3HB   ALA  57          3HB       ALA  57  -6.474  -4.739  -8.649
  416    H    ASP  58           H        ASP  58  -4.519  -3.496 -11.207
  417    HA   ASP  58           HA       ASP  58  -5.160  -3.771 -13.776
  418   1HB   ASP  58          1HB       ASP  58  -3.332  -2.189 -14.286
  419   2HB   ASP  58          2HB       ASP  58  -4.137  -1.742 -12.796
  420    H    GLY  59           H        GLY  59  -2.472  -5.290 -11.985
  421   1HA   GLY  59          1HA       GLY  59  -1.409  -7.246 -12.602
  422   2HA   GLY  59          2HA       GLY  59  -1.928  -7.030 -14.262
  423    H    ASP  60           H        ASP  60   0.662  -6.663 -12.025
  424    HA   ASP  60           HA       ASP  60   2.483  -6.060 -13.973
  425   1HB   ASP  60          1HB       ASP  60   3.103  -3.732 -13.459
  426   2HB   ASP  60          2HB       ASP  60   1.442  -3.805 -14.013
  427    H    GLY  61           H        GLY  61   1.570  -5.209 -10.552
  428   1HA   GLY  61          1HA       GLY  61   2.565  -6.561  -8.794
  429   2HA   GLY  61          2HA       GLY  61   4.091  -6.470  -9.651
  430    H    THR  62           H        THR  62   1.649  -3.855  -9.091
  431    HA   THR  62           HA       THR  62   3.510  -2.563  -7.245
  432    HB   THR  62           HB       THR  62   2.338  -1.149  -9.692
  433    HG1  THR  62           HG1      THR  62   3.892  -2.697 -10.407
  434   1HG2  THR  62          1HG2      THR  62   4.631  -0.484  -7.770
  435   2HG2  THR  62          2HG2      THR  62   4.180   0.471  -9.202
  436   3HG2  THR  62          3HG2      THR  62   3.060   0.350  -7.825
  437    H    ILE  63           H        ILE  63   2.454  -0.570  -6.231
  438    HA   ILE  63           HA       ILE  63  -0.358  -1.266  -5.762
  439    HB   ILE  63           HB       ILE  63   1.616   0.159  -3.974
  440   1HG1  ILE  63          1HG1      ILE  63   0.804  -2.700  -4.251
  441   2HG1  ILE  63          2HG1      ILE  63   2.364  -2.006  -3.855
  442   1HG2  ILE  63          1HG2      ILE  63  -0.138  -0.104  -2.244
  443   2HG2  ILE  63          2HG2      ILE  63  -0.619   0.976  -3.575
  444   3HG2  ILE  63          3HG2      ILE  63  -1.255  -0.685  -3.503
  445   1HD1  ILE  63          1HD1      ILE  63   1.511  -1.356  -1.601
  446   2HD1  ILE  63          2HD1      ILE  63  -0.066  -2.076  -2.005
  447   3HD1  ILE  63          3HD1      ILE  63   1.378  -3.109  -1.876
  448    H    ASP  64           H        ASP  64  -1.750   0.699  -5.129
  449    HA   ASP  64           HA       ASP  64  -0.850   3.165  -6.238
  450   1HB   ASP  64          1HB       ASP  64  -1.800   1.672  -8.165
  451   2HB   ASP  64          2HB       ASP  64  -3.365   1.924  -7.419
  452    H    PHE  65           H        PHE  65  -3.046   4.710  -6.234
  453    HA   PHE  65           HA       PHE  65  -3.876   4.797  -3.581
  454   1HB   PHE  65          1HB       PHE  65  -3.992   6.325  -5.965
  455   2HB   PHE  65          2HB       PHE  65  -5.680   5.983  -5.643
  456    HD1  PHE  65           HD1      PHE  65  -3.035   6.505  -3.098
  457    HD2  PHE  65           HD2      PHE  65  -6.444   8.123  -5.039
  458    HE1  PHE  65           HE1      PHE  65  -3.096   8.379  -1.429
  459    HE2  PHE  65           HE2      PHE  65  -6.506   9.997  -3.369
  460    HZ   PHE  65           HZ       PHE  65  -4.831  10.102  -1.584
  461    HA   PRO  66           HA       PRO  66  -7.911   2.885  -5.165
  462   1HB   PRO  66          1HB       PRO  66  -8.032   1.817  -7.677
  463   2HB   PRO  66          2HB       PRO  66  -8.568   3.442  -7.300
  464   1HG   PRO  66          1HG       PRO  66  -6.106   2.578  -8.689
  465   2HG   PRO  66          2HG       PRO  66  -6.862   4.159  -8.676
  466   1HD   PRO  66          1HD       PRO  66  -4.532   3.359  -7.207
  467   2HD   PRO  66          2HD       PRO  66  -5.356   4.903  -7.106
  468    H    GLU  67           H        GLU  67  -4.943   1.403  -6.135
  469    HA   GLU  67           HA       GLU  67  -5.932  -1.217  -5.871
  470   1HB   GLU  67          1HB       GLU  67  -3.217   0.061  -6.152
  471   2HB   GLU  67          2HB       GLU  67  -3.292  -1.611  -5.632
  472   1HG   GLU  67          1HG       GLU  67  -4.741  -2.130  -7.639
  473   2HG   GLU  67          2HG       GLU  67  -4.552  -0.472  -8.172
  474    H    PHE  68           H        PHE  68  -3.673   0.756  -3.802
  475    HA   PHE  68           HA       PHE  68  -3.603  -1.050  -1.699
  476   1HB   PHE  68          1HB       PHE  68  -2.394   1.307  -2.408
  477   2HB   PHE  68          2HB       PHE  68  -3.551   1.953  -1.260
  478    HD1  PHE  68           HD1      PHE  68  -2.202   2.606   0.530
  479    HD2  PHE  68           HD2      PHE  68  -1.742  -1.291  -1.086
  480    HE1  PHE  68           HE1      PHE  68  -0.664   2.004   2.420
  481    HE2  PHE  68           HE2      PHE  68  -0.203  -1.893   0.804
  482    HZ   PHE  68           HZ       PHE  68   0.317  -0.238   2.534
  483    H    LEU  69           H        LEU  69  -5.873   1.634  -2.459
  484    HA   LEU  69           HA       LEU  69  -7.145   1.995  -0.117
  485   1HB   LEU  69          1HB       LEU  69  -8.148   3.321  -1.574
  486   2HB   LEU  69          2HB       LEU  69  -7.759   2.279  -2.929
  487    HG   LEU  69           HG       LEU  69  -9.734   0.876  -2.407
  488   1HD1  LEU  69          1HD1      LEU  69 -11.173   1.219  -0.669
  489   2HD1  LEU  69          2HD1      LEU  69  -9.656   1.762   0.089
  490   3HD1  LEU  69          3HD1      LEU  69 -10.808   2.958  -0.555
  491   1HD2  LEU  69          1HD2      LEU  69  -9.643   3.237  -3.755
  492   2HD2  LEU  69          2HD2      LEU  69 -11.052   2.151  -3.702
  493   3HD2  LEU  69          3HD2      LEU  69 -10.964   3.549  -2.604
  494    H    THR  70           H        THR  70  -7.852  -0.653  -2.497
  495    HA   THR  70           HA       THR  70  -9.775  -1.884  -0.829
  496    HB   THR  70           HB       THR  70  -8.123  -2.760  -3.249
  497    HG1  THR  70           HG1      THR  70  -9.747  -1.271  -3.791
  498   1HG2  THR  70          1HG2      THR  70 -10.631  -4.196  -2.831
  499   2HG2  THR  70          2HG2      THR  70  -9.005  -4.863  -3.111
  500   3HG2  THR  70          3HG2      THR  70  -9.536  -4.477  -1.456
  501    H    MET  71           H        MET  71  -6.278  -2.582  -1.451
  502    HA   MET  71           HA       MET  71  -5.931  -4.805  -0.079
  503   1HB   MET  71          1HB       MET  71  -4.148  -3.355  -1.158
  504   2HB   MET  71          2HB       MET  71  -4.212  -2.279   0.223
  505   1HG   MET  71          1HG       MET  71  -3.788  -5.175   0.864
  506   2HG   MET  71          2HG       MET  71  -2.469  -4.386   0.022
  507   1HE   MET  71          1HE       MET  71  -0.737  -3.798   1.116
  508   2HE   MET  71          2HE       MET  71  -0.550  -3.019   2.706
  509   3HE   MET  71          3HE       MET  71  -0.913  -4.759   2.604
  510    H    MET  72           H        MET  72  -5.742  -1.536   1.522
  511    HA   MET  72           HA       MET  72  -5.579  -2.563   4.079
  512   1HB   MET  72          1HB       MET  72  -5.198  -0.139   3.103
  513   2HB   MET  72          2HB       MET  72  -6.918   0.087   3.355
  514   1HG   MET  72          1HG       MET  72  -5.960   0.901   5.369
  515   2HG   MET  72          2HG       MET  72  -6.490  -0.713   5.802
  516   1HE   MET  72          1HE       MET  72  -4.006   0.039   7.902
  517   2HE   MET  72          2HE       MET  72  -5.346  -1.088   7.584
  518   3HE   MET  72          3HE       MET  72  -3.675  -1.695   7.674
  519    H    ALA  73           H        ALA  73  -8.455  -1.055   2.424
  520    HA   ALA  73           HA       ALA  73 -10.338  -1.394   4.302
  521   1HB   ALA  73          1HB       ALA  73 -10.214  -1.131   1.420
  522   2HB   ALA  73          2HB       ALA  73 -11.550  -2.217   1.874
  523   3HB   ALA  73          3HB       ALA  73 -11.473  -0.571   2.547
  524    H    ARG  74           H        ARG  74  -9.482  -3.916   1.821
  525    HA   ARG  74           HA       ARG  74 -11.108  -5.842   2.915
  526   1HB   ARG  74          1HB       ARG  74  -8.583  -5.986   1.214
  527   2HB   ARG  74          2HB       ARG  74  -9.436  -7.443   1.686
  528   1HG   ARG  74          1HG       ARG  74 -10.825  -5.112   0.293
  529   2HG   ARG  74          2HG       ARG  74 -10.083  -6.429  -0.593
  530   1HD   ARG  74          1HD       ARG  74 -11.580  -8.066   0.409
  531   2HD   ARG  74          2HD       ARG  74 -12.170  -6.905   1.582
  532    HE   ARG  74           HE       ARG  74 -12.608  -5.965  -1.130
  533   1HH1  ARG  74          2HH2      ARG  74 -13.871  -8.147   1.325
  534   2HH1  ARG  74          1HH2      ARG  74 -15.486  -8.121   0.700
  535   1HH2  ARG  74          2HH1      ARG  74 -14.739  -5.929  -1.954
  536   2HH2  ARG  74          1HH1      ARG  74 -15.983  -6.850  -1.177
  537    H    LYS  75           H        LYS  75  -7.792  -4.779   3.698
  538    HA   LYS  75           HA       LYS  75  -6.797  -6.908   5.059
  539   1HB   LYS  75          1HB       LYS  75  -5.895  -4.471   4.569
  540   2HB   LYS  75          2HB       LYS  75  -6.461  -4.153   6.197
  541   1HG   LYS  75          1HG       LYS  75  -4.224  -4.863   6.525
  542   2HG   LYS  75          2HG       LYS  75  -5.161  -6.298   6.893
  543   1HD   LYS  75          1HD       LYS  75  -4.551  -6.144   4.024
  544   2HD   LYS  75          2HD       LYS  75  -3.086  -6.071   4.982
  545   1HE   LYS  75          1HE       LYS  75  -4.235  -8.098   6.309
  546   2HE   LYS  75          2HE       LYS  75  -5.137  -8.285   4.818
  547   1HZ   LYS  75          1HZ       LYS  75  -3.256  -8.786   3.667
  548   2HZ   LYS  75          2HZ       LYS  75  -2.249  -7.984   4.672
  549   3HZ   LYS  75          3HZ       LYS  75  -2.867  -9.429   5.117
  550    H    MET  76           H        MET  76  -8.789  -4.233   6.512
  551    HA   MET  76           HA       MET  76  -8.986  -5.330   8.995
  552   1HB   MET  76          1HB       MET  76 -10.540  -3.400   7.307
  553   2HB   MET  76          2HB       MET  76 -11.443  -4.073   8.650
  554   1HG   MET  76          1HG       MET  76  -8.949  -3.436   9.793
  555   2HG   MET  76          2HG       MET  76  -9.237  -2.114   8.680
  556   1HE   MET  76          1HE       MET  76 -12.122  -3.697  11.785
  557   2HE   MET  76          2HE       MET  76 -10.678  -4.467  11.084
  558   3HE   MET  76          3HE       MET  76 -10.509  -3.331  12.444
  559    H    LYS  77           H        LYS  77 -11.016  -5.927   6.074
  560    HA   LYS  77           HA       LYS  77 -12.962  -7.467   7.354
  561   1HB   LYS  77          1HB       LYS  77 -12.318  -6.610   4.708
  562   2HB   LYS  77          2HB       LYS  77 -12.575  -8.343   4.654
  563   1HG   LYS  77          1HG       LYS  77 -14.808  -8.175   5.218
  564   2HG   LYS  77          2HG       LYS  77 -14.543  -6.837   6.319
  565   1HD   LYS  77          1HD       LYS  77 -13.958  -6.042   3.557
  566   2HD   LYS  77          2HD       LYS  77 -15.579  -6.695   3.685
  567   1HE   LYS  77          1HE       LYS  77 -15.387  -5.065   5.957
  568   2HE   LYS  77          2HE       LYS  77 -14.487  -4.162   4.755
  569   1HZ   LYS  77          1HZ       LYS  77 -16.345  -3.703   3.676
  570   2HZ   LYS  77          2HZ       LYS  77 -16.895  -5.240   3.714
  571   3HZ   LYS  77          3HZ       LYS  77 -17.169  -4.243   4.978
  572    H    ASP  78           H        ASP  78 -10.089  -8.540   5.395
  573    HA   ASP  78           HA       ASP  78 -10.288 -11.160   5.695
  574   1HB   ASP  78          1HB       ASP  78  -8.407  -9.735   4.625
  575   2HB   ASP  78          2HB       ASP  78  -7.660  -9.703   6.210
  576    H    THR  79           H        THR  79  -8.425  -8.998   7.978
  577    HA   THR  79           HA       THR  79  -8.005 -10.972   9.922
  578    HB   THR  79           HB       THR  79  -6.742  -8.789   9.599
  579    HG1  THR  79           HG1      THR  79  -6.509  -8.672  11.905
  580   1HG2  THR  79          1HG2      THR  79  -9.209  -7.656  11.022
  581   2HG2  THR  79          2HG2      THR  79  -7.683  -6.783  10.743
  582   3HG2  THR  79          3HG2      THR  79  -8.708  -7.247   9.364
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1 -19.642   7.193  -0.340
    2    HA   ALA   1           HA       ALA   1 -17.032   6.810   0.771
    3   1HB   ALA   1          1HB       ALA   1 -17.480   9.260  -0.484
    4   2HB   ALA   1          2HB       ALA   1 -17.826   9.596   1.229
    5   3HB   ALA   1          3HB       ALA   1 -16.247   8.925   0.755
    6    H    ASP   2           H        ASP   2 -19.929   5.968   1.025
    7    HA   ASP   2           HA       ASP   2 -20.526   7.125   3.614
    8   1HB   ASP   2          1HB       ASP   2 -22.255   6.872   1.690
    9   2HB   ASP   2          2HB       ASP   2 -22.219   5.152   2.023
   10    H    GLN   3           H        GLN   3 -18.309   5.130   3.019
   11    HA   GLN   3           HA       GLN   3 -19.305   2.995   4.736
   12   1HB   GLN   3          1HB       GLN   3 -18.690   2.549   2.146
   13   2HB   GLN   3          2HB       GLN   3 -17.073   2.418   2.808
   14   1HG   GLN   3          1HG       GLN   3 -17.552   0.482   3.985
   15   2HG   GLN   3          2HG       GLN   3 -19.203   0.961   4.323
   16   1HE2  GLN   3          1HE2      GLN   3 -20.823   0.269   3.084
   17   2HE2  GLN   3          2HE2      GLN   3 -20.668  -0.706   1.661
   18    H    LEU   4           H        LEU   4 -16.271   4.531   3.434
   19    HA   LEU   4           HA       LEU   4 -15.342   5.303   5.936
   20   1HB   LEU   4          1HB       LEU   4 -13.634   3.711   6.428
   21   2HB   LEU   4          2HB       LEU   4 -15.189   2.904   6.377
   22    HG   LEU   4           HG       LEU   4 -13.501   1.506   5.368
   23   1HD1  LEU   4          1HD1      LEU   4 -14.735   0.793   3.587
   24   2HD1  LEU   4          2HD1      LEU   4 -15.919   1.882   4.348
   25   3HD1  LEU   4          3HD1      LEU   4 -14.975   2.435   2.944
   26   1HD2  LEU   4          1HD2      LEU   4 -12.357   3.862   4.475
   27   2HD2  LEU   4          2HD2      LEU   4 -11.844   2.210   4.056
   28   3HD2  LEU   4          3HD2      LEU   4 -12.953   3.097   2.983
   29    H    THR   5           H        THR   5 -14.737   4.262   2.579
   30    HA   THR   5           HA       THR   5 -12.298   5.201   2.007
   31    HB   THR   5           HB       THR   5 -13.405   5.890  -0.234
   32    HG1  THR   5           HG1      THR   5 -15.745   5.293  -0.172
   33   1HG2  THR   5          1HG2      THR   5 -13.603   3.228   1.125
   34   2HG2  THR   5          2HG2      THR   5 -14.694   3.460  -0.262
   35   3HG2  THR   5          3HG2      THR   5 -12.936   3.632  -0.475
   36    H    GLU   6           H        GLU   6 -15.087   7.175   2.969
   37    HA   GLU   6           HA       GLU   6 -14.070   9.601   2.095
   38   1HB   GLU   6          1HB       GLU   6 -16.419   9.283   2.767
   39   2HB   GLU   6          2HB       GLU   6 -15.937   8.958   4.420
   40   1HG   GLU   6          1HG       GLU   6 -14.793  11.491   3.480
   41   2HG   GLU   6          2HG       GLU   6 -16.535  11.485   3.288
   42    H    GLU   7           H        GLU   7 -14.002   8.094   5.409
   43    HA   GLU   7           HA       GLU   7 -12.293  10.085   6.403
   44   1HB   GLU   7          1HB       GLU   7 -12.037   8.418   8.337
   45   2HB   GLU   7          2HB       GLU   7 -13.668   8.953   7.986
   46   1HG   GLU   7          1HG       GLU   7 -14.255   6.897   6.931
   47   2HG   GLU   7          2HG       GLU   7 -12.583   6.439   6.677
   48    H    GLN   8           H        GLN   8 -11.827   6.855   4.928
   49    HA   GLN   8           HA       GLN   8  -9.160   6.574   5.658
   50   1HB   GLN   8          1HB       GLN   8 -11.073   5.272   3.818
   51   2HB   GLN   8          2HB       GLN   8  -9.417   5.192   3.252
   52   1HG   GLN   8          1HG       GLN   8 -10.440   4.279   5.982
   53   2HG   GLN   8          2HG       GLN   8  -9.912   3.240   4.672
   54   1HE2  GLN   8          1HE2      GLN   8  -8.967   3.655   7.464
   55   2HE2  GLN   8          2HE2      GLN   8  -7.265   3.960   7.363
   56    H    ILE   9           H        ILE   9 -10.690   7.739   2.572
   57    HA   ILE   9           HA       ILE   9  -8.403   8.286   1.181
   58    HB   ILE   9           HB       ILE   9 -11.131   9.542   1.210
   59   1HG1  ILE   9          1HG1      ILE   9 -10.650   7.154   0.393
   60   2HG1  ILE   9          2HG1      ILE   9 -11.579   8.214  -0.649
   61   1HG2  ILE   9          1HG2      ILE   9  -9.695  11.331   0.505
   62   2HG2  ILE   9          2HG2      ILE   9  -8.808  10.253  -0.599
   63   3HG2  ILE   9          3HG2      ILE   9 -10.509  10.661  -0.929
   64   1HD1  ILE   9          1HD1      ILE   9  -9.698   8.640  -2.084
   65   2HD1  ILE   9          2HD1      ILE   9  -8.556   7.945  -0.908
   66   3HD1  ILE   9          3HD1      ILE   9  -9.692   6.886  -1.779
   67    H    ALA  10           H        ALA  10 -10.012  10.199   3.758
   68    HA   ALA  10           HA       ALA  10  -8.640  12.561   3.484
   69   1HB   ALA  10          1HB       ALA  10 -10.561  12.042   5.025
   70   2HB   ALA  10          2HB       ALA  10  -9.415  11.190   6.089
   71   3HB   ALA  10          3HB       ALA  10  -9.235  12.938   5.803
   72    H    GLU  11           H        GLU  11  -7.743   9.706   5.555
   73    HA   GLU  11           HA       GLU  11  -5.256  10.821   6.201
   74   1HB   GLU  11          1HB       GLU  11  -6.801   8.468   6.869
   75   2HB   GLU  11          2HB       GLU  11  -5.164   7.971   6.490
   76   1HG   GLU  11          1HG       GLU  11  -4.321   9.788   8.066
   77   2HG   GLU  11          2HG       GLU  11  -5.985  10.094   8.525
   78    H    PHE  12           H        PHE  12  -6.335   8.305   3.832
   79    HA   PHE  12           HA       PHE  12  -3.943   7.440   2.907
   80   1HB   PHE  12          1HB       PHE  12  -6.731   7.628   2.093
   81   2HB   PHE  12          2HB       PHE  12  -5.756   8.021   0.690
   82    HD1  PHE  12           HD1      PHE  12  -5.916   5.459   3.404
   83    HD2  PHE  12           HD2      PHE  12  -5.068   6.290  -0.670
   84    HE1  PHE  12           HE1      PHE  12  -5.534   3.014   2.985
   85    HE2  PHE  12           HE2      PHE  12  -4.686   3.845  -1.089
   86    HZ   PHE  12           HZ       PHE  12  -4.924   2.236   0.743
   87    H    LYS  13           H        LYS  13  -5.625  10.523   2.116
   88    HA   LYS  13           HA       LYS  13  -4.102  11.309  -0.030
   89   1HB   LYS  13          1HB       LYS  13  -6.195  12.364   1.078
   90   2HB   LYS  13          2HB       LYS  13  -5.057  13.233   2.088
   91   1HG   LYS  13          1HG       LYS  13  -4.718  14.724   0.418
   92   2HG   LYS  13          2HG       LYS  13  -4.071  13.446  -0.590
   93   1HD   LYS  13          1HD       LYS  13  -7.044  13.466  -0.388
   94   2HD   LYS  13          2HD       LYS  13  -6.362  14.885  -1.158
   95   1HE   LYS  13          1HE       LYS  13  -4.910  12.757  -2.295
   96   2HE   LYS  13          2HE       LYS  13  -6.536  12.118  -2.162
   97   1HZ   LYS  13          1HZ       LYS  13  -7.343  13.699  -3.553
   98   2HZ   LYS  13          2HZ       LYS  13  -6.197  14.808  -3.202
   99   3HZ   LYS  13          3HZ       LYS  13  -5.842  13.548  -4.179
  100    H    GLU  14           H        GLU  14  -3.530  12.092   3.476
  101    HA   GLU  14           HA       GLU  14  -1.025  13.220   2.905
  102   1HB   GLU  14          1HB       GLU  14  -2.708  12.706   5.265
  103   2HB   GLU  14          2HB       GLU  14  -1.003  12.508   5.619
  104   1HG   GLU  14          1HG       GLU  14  -1.006  14.831   4.083
  105   2HG   GLU  14          2HG       GLU  14  -2.518  14.973   4.957
  106    H    ALA  15           H        ALA  15  -2.170   9.971   3.902
  107    HA   ALA  15           HA       ALA  15   0.257   8.868   4.638
  108   1HB   ALA  15          1HB       ALA  15  -1.414   6.979   3.205
  109   2HB   ALA  15          2HB       ALA  15  -1.100   7.104   4.952
  110   3HB   ALA  15          3HB       ALA  15  -2.419   8.045   4.216
  111    H    PHE  16           H        PHE  16  -1.333   9.073   1.386
  112    HA   PHE  16           HA       PHE  16   0.261   7.636  -0.160
  113   1HB   PHE  16          1HB       PHE  16  -1.616   9.195  -0.847
  114   2HB   PHE  16          2HB       PHE  16  -0.574  10.573  -0.551
  115    HD1  PHE  16           HD1      PHE  16  -0.493   7.399  -2.527
  116    HD2  PHE  16           HD2      PHE  16   0.395  11.546  -2.394
  117    HE1  PHE  16           HE1      PHE  16   0.310   7.303  -4.904
  118    HE2  PHE  16           HE2      PHE  16   1.197  11.451  -4.770
  119    HZ   PHE  16           HZ       PHE  16   1.145   9.331  -5.997
  120    H    SER  17           H        SER  17   1.066  11.017   0.908
  121    HA   SER  17           HA       SER  17   3.364  11.387  -0.375
  122   1HB   SER  17          1HB       SER  17   2.162  12.869   1.377
  123   2HB   SER  17          2HB       SER  17   3.104  12.022   2.588
  124    HG   SER  17           HG       SER  17   3.892  13.994   0.771
  125    H    LEU  18           H        LEU  18   3.058   9.751   2.865
  126    HA   LEU  18           HA       LEU  18   5.787   8.987   2.897
  127   1HB   LEU  18          1HB       LEU  18   3.386   8.140   4.517
  128   2HB   LEU  18          2HB       LEU  18   5.010   7.553   4.816
  129    HG   LEU  18           HG       LEU  18   4.611  10.512   4.730
  130   1HD1  LEU  18          1HD1      LEU  18   3.045  10.571   6.299
  131   2HD1  LEU  18          2HD1      LEU  18   3.064   8.799   6.457
  132   3HD1  LEU  18          3HD1      LEU  18   4.191   9.790   7.414
  133   1HD2  LEU  18          1HD2      LEU  18   6.808   9.165   5.113
  134   2HD2  LEU  18          2HD2      LEU  18   6.460  10.597   6.111
  135   3HD2  LEU  18          3HD2      LEU  18   6.183   8.966   6.768
  136    H    PHE  19           H        PHE  19   2.686   7.202   2.282
  137    HA   PHE  19           HA       PHE  19   3.608   4.721   1.869
  138   1HB   PHE  19          1HB       PHE  19   1.241   5.706   1.624
  139   2HB   PHE  19          2HB       PHE  19   1.704   6.310   0.046
  140    HD1  PHE  19           HD1      PHE  19   0.519   5.117  -1.536
  141    HD2  PHE  19           HD2      PHE  19   2.308   3.008   1.683
  142    HE1  PHE  19           HE1      PHE  19  -0.179   2.941  -2.574
  143    HE2  PHE  19           HE2      PHE  19   1.610   0.832   0.645
  144    HZ   PHE  19           HZ       PHE  19   0.375   0.824  -1.471
  145    H    ASP  20           H        ASP  20   3.849   7.491  -0.427
  146    HA   ASP  20           HA       ASP  20   5.197   5.755  -2.297
  147   1HB   ASP  20          1HB       ASP  20   3.421   7.648  -2.818
  148   2HB   ASP  20          2HB       ASP  20   4.778   8.741  -2.640
  149    H    LYS  21           H        LYS  21   7.363   5.452  -1.660
  150    HA   LYS  21           HA       LYS  21   8.785   7.520  -0.297
  151   1HB   LYS  21          1HB       LYS  21   9.921   4.974  -1.471
  152   2HB   LYS  21          2HB       LYS  21  10.564   5.937  -0.157
  153   1HG   LYS  21          1HG       LYS  21   7.831   4.583  -0.040
  154   2HG   LYS  21          2HG       LYS  21   9.299   3.819   0.538
  155   1HD   LYS  21          1HD       LYS  21   9.649   5.567   2.205
  156   2HD   LYS  21          2HD       LYS  21   8.371   6.554   1.522
  157   1HE   LYS  21          1HE       LYS  21   6.688   4.809   2.124
  158   2HE   LYS  21          2HE       LYS  21   7.960   3.800   2.783
  159   1HZ   LYS  21          1HZ       LYS  21   8.426   5.484   4.394
  160   2HZ   LYS  21          2HZ       LYS  21   7.331   6.505   3.742
  161   3HZ   LYS  21          3HZ       LYS  21   6.834   5.125   4.459
  162    H    ASP  22           H        ASP  22   8.730   6.113  -3.617
  163    HA   ASP  22           HA       ASP  22  10.863   7.725  -4.486
  164   1HB   ASP  22          1HB       ASP  22   8.739   6.032  -5.834
  165   2HB   ASP  22          2HB       ASP  22   9.762   7.066  -6.812
  166    H    GLY  23           H        GLY  23   7.245   7.770  -4.831
  167   1HA   GLY  23          1HA       GLY  23   5.890   9.624  -4.881
  168   2HA   GLY  23          2HA       GLY  23   7.285  10.665  -5.083
  169    H    ASP  24           H        ASP  24   6.288   7.745  -6.988
  170    HA   ASP  24           HA       ASP  24   6.137   9.532  -9.289
  171   1HB   ASP  24          1HB       ASP  24   6.644   7.250 -10.539
  172   2HB   ASP  24          2HB       ASP  24   7.956   8.180  -9.843
  173    H    GLY  25           H        GLY  25   3.995   8.726  -7.353
  174   1HA   GLY  25          1HA       GLY  25   1.852   8.049  -7.385
  175   2HA   GLY  25          2HA       GLY  25   1.937   8.070  -9.135
  176    H    THR  26           H        THR  26   4.360   6.072  -7.634
  177    HA   THR  26           HA       THR  26   2.658   3.697  -7.814
  178    HB   THR  26           HB       THR  26   4.696   2.659  -9.094
  179    HG1  THR  26           HG1      THR  26   6.176   4.393  -8.880
  180   1HG2  THR  26          1HG2      THR  26   3.579   3.014 -11.080
  181   2HG2  THR  26          2HG2      THR  26   2.372   3.835 -10.062
  182   3HG2  THR  26          3HG2      THR  26   3.630   4.783 -10.889
  183    H    ILE  27           H        ILE  27   2.847   2.463  -6.057
  184    HA   ILE  27           HA       ILE  27   5.171   2.973  -4.358
  185    HB   ILE  27           HB       ILE  27   2.342   2.251  -3.914
  186   1HG1  ILE  27          1HG1      ILE  27   2.903   3.572  -1.774
  187   2HG1  ILE  27          2HG1      ILE  27   4.440   3.930  -2.536
  188   1HG2  ILE  27          1HG2      ILE  27   3.031   0.269  -2.963
  189   2HG2  ILE  27          2HG2      ILE  27   4.597   0.934  -2.439
  190   3HG2  ILE  27          3HG2      ILE  27   3.107   1.377  -1.571
  191   1HD1  ILE  27          1HD1      ILE  27   2.471   4.404  -4.537
  192   2HD1  ILE  27          2HD1      ILE  27   1.841   5.125  -3.036
  193   3HD1  ILE  27          3HD1      ILE  27   3.434   5.617  -3.659
  194    H    THR  28           H        THR  28   6.796   1.715  -5.278
  195    HA   THR  28           HA       THR  28   6.417  -0.841  -6.326
  196    HB   THR  28           HB       THR  28   8.795   0.683  -5.165
  197    HG1  THR  28           HG1      THR  28   8.087  -0.287  -7.834
  198   1HG2  THR  28          1HG2      THR  28   9.461  -1.661  -5.003
  199   2HG2  THR  28          2HG2      THR  28   8.692  -2.036  -6.564
  200   3HG2  THR  28          3HG2      THR  28  10.155  -1.023  -6.513
  201    H    THR  29           H        THR  29   6.943  -2.945  -5.518
  202    HA   THR  29           HA       THR  29   5.719  -3.641  -3.202
  203    HB   THR  29           HB       THR  29   6.974  -5.762  -3.460
  204    HG1  THR  29           HG1      THR  29   8.585  -3.952  -5.116
  205   1HG2  THR  29          1HG2      THR  29   6.939  -4.759  -6.307
  206   2HG2  THR  29          2HG2      THR  29   6.330  -6.296  -5.648
  207   3HG2  THR  29          3HG2      THR  29   5.391  -4.799  -5.430
  208    H    LYS  30           H        LYS  30   9.256  -2.942  -3.564
  209    HA   LYS  30           HA       LYS  30   9.842  -3.352  -0.870
  210   1HB   LYS  30          1HB       LYS  30  11.957  -2.456  -1.367
  211   2HB   LYS  30          2HB       LYS  30  11.431  -3.228  -2.849
  212   1HG   LYS  30          1HG       LYS  30  10.470  -0.855  -3.476
  213   2HG   LYS  30          2HG       LYS  30  11.518  -0.262  -2.202
  214   1HD   LYS  30          1HD       LYS  30  13.470  -1.415  -3.332
  215   2HD   LYS  30          2HD       LYS  30  12.400  -1.877  -4.640
  216   1HE   LYS  30          1HE       LYS  30  13.114   0.099  -5.574
  217   2HE   LYS  30          2HE       LYS  30  11.862   0.798  -4.566
  218   1HZ   LYS  30          1HZ       LYS  30  13.487   1.219  -2.884
  219   2HZ   LYS  30          2HZ       LYS  30  14.663   0.477  -3.739
  220   3HZ   LYS  30          3HZ       LYS  30  14.008   1.868  -4.289
  221    H    GLU  31           H        GLU  31   8.660  -0.492  -2.687
  222    HA   GLU  31           HA       GLU  31   9.080   1.384  -0.737
  223   1HB   GLU  31          1HB       GLU  31   7.552   1.140  -3.201
  224   2HB   GLU  31          2HB       GLU  31   6.620   2.035  -2.017
  225   1HG   GLU  31          1HG       GLU  31   8.490   3.605  -1.659
  226   2HG   GLU  31          2HG       GLU  31   9.528   2.664  -2.712
  227    H    LEU  32           H        LEU  32   6.608  -1.154  -1.021
  228    HA   LEU  32           HA       LEU  32   4.803  -0.064   0.846
  229   1HB   LEU  32          1HB       LEU  32   4.161  -1.719  -0.797
  230   2HB   LEU  32          2HB       LEU  32   5.269  -2.891  -0.110
  231    HG   LEU  32           HG       LEU  32   2.864  -1.735   1.330
  232   1HD1  LEU  32          1HD1      LEU  32   3.036  -3.793  -0.672
  233   2HD1  LEU  32          2HD1      LEU  32   2.537  -4.500   0.884
  234   3HD1  LEU  32          3HD1      LEU  32   1.609  -3.155   0.180
  235   1HD2  LEU  32          1HD2      LEU  32   5.012  -3.667   2.119
  236   2HD2  LEU  32          2HD2      LEU  32   4.241  -2.365   3.056
  237   3HD2  LEU  32          3HD2      LEU  32   3.364  -3.884   2.754
  238    H    GLY  33           H        GLY  33   7.445  -2.535   1.123
  239   1HA   GLY  33          1HA       GLY  33   7.164  -3.041   3.847
  240   2HA   GLY  33          2HA       GLY  33   8.625  -3.238   2.900
  241    H    THR  34           H        THR  34   8.556  -0.274   2.103
  242    HA   THR  34           HA       THR  34  10.232   0.656   4.165
  243    HB   THR  34           HB       THR  34   8.794   2.146   1.905
  244    HG1  THR  34           HG1      THR  34  11.421   0.866   2.192
  245   1HG2  THR  34          1HG2      THR  34  11.438   2.705   3.350
  246   2HG2  THR  34          2HG2      THR  34  10.764   3.646   1.997
  247   3HG2  THR  34          3HG2      THR  34   9.945   3.648   3.578
  248    H    VAL  35           H        VAL  35   6.775   1.301   3.369
  249    HA   VAL  35           HA       VAL  35   6.482   3.210   5.433
  250    HB   VAL  35           HB       VAL  35   4.391   1.524   4.045
  251   1HG1  VAL  35          1HG1      VAL  35   3.935   3.025   6.190
  252   2HG1  VAL  35          2HG1      VAL  35   3.922   4.329   4.979
  253   3HG1  VAL  35          3HG1      VAL  35   2.787   2.966   4.831
  254   1HG2  VAL  35          1HG2      VAL  35   5.062   4.305   3.160
  255   2HG2  VAL  35          2HG2      VAL  35   6.126   2.971   2.654
  256   3HG2  VAL  35          3HG2      VAL  35   4.397   2.938   2.234
  257    H    MET  36           H        MET  36   5.643  -0.305   5.124
  258    HA   MET  36           HA       MET  36   4.462  -0.643   7.529
  259   1HB   MET  36          1HB       MET  36   6.428  -2.506   6.082
  260   2HB   MET  36          2HB       MET  36   5.317  -3.032   7.332
  261   1HG   MET  36          1HG       MET  36   4.258  -1.568   4.891
  262   2HG   MET  36          2HG       MET  36   4.625  -3.279   4.791
  263   1HE   MET  36          1HE       MET  36   0.696  -2.194   5.394
  264   2HE   MET  36          2HE       MET  36   1.729  -0.795   5.773
  265   3HE   MET  36          3HE       MET  36   2.039  -1.760   4.310
  266    H    ARG  37           H        ARG  37   7.996  -1.206   6.841
  267    HA   ARG  37           HA       ARG  37   8.638  -1.623   9.491
  268   1HB   ARG  37          1HB       ARG  37  11.000  -1.252   8.735
  269   2HB   ARG  37          2HB       ARG  37  10.121  -2.301   7.640
  270   1HG   ARG  37          1HG       ARG  37  10.927  -0.879   6.029
  271   2HG   ARG  37          2HG       ARG  37   9.557   0.113   6.490
  272   1HD   ARG  37          1HD       ARG  37  10.880   1.584   7.790
  273   2HD   ARG  37          2HD       ARG  37  12.149   0.401   8.030
  274    HE   ARG  37           HE       ARG  37  11.799   2.150   5.689
  275   1HH1  ARG  37          2HH2      ARG  37  13.363  -0.730   6.970
  276   2HH1  ARG  37          1HH2      ARG  37  14.635  -0.718   5.794
  277   1HH2  ARG  37          2HH1      ARG  37  13.477   2.167   4.138
  278   2HH2  ARG  37          1HH1      ARG  37  14.700   0.941   4.173
  279    H    SER  38           H        SER  38   8.379   1.331   7.488
  280    HA   SER  38           HA       SER  38   9.798   3.073   9.023
  281   1HB   SER  38          1HB       SER  38   7.568   3.246   7.067
  282   2HB   SER  38          2HB       SER  38   7.669   4.616   8.155
  283    HG   SER  38           HG       SER  38   9.016   4.494   6.009
  284    H    LEU  39           H        LEU  39   6.817   1.396   9.738
  285    HA   LEU  39           HA       LEU  39   5.936   3.311  11.698
  286   1HB   LEU  39          1HB       LEU  39   4.977   0.609  10.784
  287   2HB   LEU  39          2HB       LEU  39   4.296   1.402  12.190
  288    HG   LEU  39           HG       LEU  39   4.350   2.614   9.413
  289   1HD1  LEU  39          1HD1      LEU  39   2.793   1.068   8.947
  290   2HD1  LEU  39          2HD1      LEU  39   2.514   0.677  10.661
  291   3HD1  LEU  39          3HD1      LEU  39   1.724   2.096   9.931
  292   1HD2  LEU  39          1HD2      LEU  39   2.653   4.163  10.357
  293   2HD2  LEU  39          2HD2      LEU  39   2.949   3.457  11.964
  294   3HD2  LEU  39          3HD2      LEU  39   4.257   4.315  11.115
  295    H    GLY  40           H        GLY  40   6.724  -0.228  11.955
  296   1HA   GLY  40          1HA       GLY  40   8.693   0.164  13.964
  297   2HA   GLY  40          2HA       GLY  40   7.150  -0.240  14.690
  298    H    GLN  41           H        GLN  41   8.240  -1.339  11.445
  299    HA   GLN  41           HA       GLN  41   8.637  -3.984  12.584
  300   1HB   GLN  41          1HB       GLN  41   6.995  -3.392  10.081
  301   2HB   GLN  41          2HB       GLN  41   7.377  -4.991  10.689
  302   1HG   GLN  41          1HG       GLN  41   6.285  -3.598  12.913
  303   2HG   GLN  41          2HG       GLN  41   5.279  -3.142  11.553
  304   1HE2  GLN  41          1HE2      GLN  41   3.886  -4.549  10.683
  305   2HE2  GLN  41          2HE2      GLN  41   3.647  -6.184  11.202
  306    H    ASN  42           H        ASN  42   9.291  -5.412  10.297
  307    HA   ASN  42           HA       ASN  42  10.973  -3.907   8.610
  308   1HB   ASN  42          1HB       ASN  42  12.189  -4.443  11.009
  309   2HB   ASN  42          2HB       ASN  42  12.567  -5.932  10.165
  310   1HD2  ASN  42          1HD2      ASN  42  12.379  -2.447   9.426
  311   2HD2  ASN  42          2HD2      ASN  42  13.894  -2.317   8.597
  312    HA   PRO  43           HA       PRO  43   9.544  -8.137   7.418
  313   1HB   PRO  43          1HB       PRO  43   7.716  -7.457   5.503
  314   2HB   PRO  43          2HB       PRO  43   7.280  -7.801   7.165
  315   1HG   PRO  43          1HG       PRO  43   7.436  -5.187   5.794
  316   2HG   PRO  43          2HG       PRO  43   6.613  -5.597   7.286
  317   1HD   PRO  43          1HD       PRO  43   9.107  -4.203   7.029
  318   2HD   PRO  43          2HD       PRO  43   8.341  -4.715   8.520
  319    H    THR  44           H        THR  44   9.449  -9.190   5.118
  320    HA   THR  44           HA       THR  44  11.770  -8.016   3.759
  321    HB   THR  44           HB       THR  44  11.693 -10.435   2.715
  322    HG1  THR  44           HG1      THR  44  10.362 -11.835   4.003
  323   1HG2  THR  44          1HG2      THR  44  12.036 -10.466   5.735
  324   2HG2  THR  44          2HG2      THR  44  12.981 -11.333   4.501
  325   3HG2  THR  44          3HG2      THR  44  13.197  -9.580   4.719
  326    H    GLU  45           H        GLU  45  11.827  -7.794   1.463
  327    HA   GLU  45           HA       GLU  45   9.409  -6.776   0.484
  328   1HB   GLU  45          1HB       GLU  45  10.690  -6.393  -1.604
  329   2HB   GLU  45          2HB       GLU  45  11.587  -5.862  -0.195
  330   1HG   GLU  45          1HG       GLU  45  13.116  -7.650  -0.315
  331   2HG   GLU  45          2HG       GLU  45  11.998  -8.691  -1.173
  332    H    ALA  46           H        ALA  46  10.842  -9.957   0.537
  333    HA   ALA  46           HA       ALA  46   9.629 -10.963  -1.814
  334   1HB   ALA  46          1HB       ALA  46  11.603 -11.986  -0.769
  335   2HB   ALA  46          2HB       ALA  46  10.661 -12.342   0.698
  336   3HB   ALA  46          3HB       ALA  46  10.261 -13.154  -0.834
  337    H    GLU  47           H        GLU  47   8.854 -11.435   1.713
  338    HA   GLU  47           HA       GLU  47   6.521 -12.772   1.328
  339   1HB   GLU  47          1HB       GLU  47   7.531 -10.957   3.527
  340   2HB   GLU  47          2HB       GLU  47   5.909 -11.612   3.629
  341   1HG   GLU  47          1HG       GLU  47   7.991 -13.614   2.901
  342   2HG   GLU  47          2HG       GLU  47   8.195 -12.913   4.494
  343    H    LEU  48           H        LEU  48   7.140  -9.228   1.340
  344    HA   LEU  48           HA       LEU  48   4.396  -8.531   1.208
  345   1HB   LEU  48          1HB       LEU  48   7.010  -7.115   0.880
  346   2HB   LEU  48          2HB       LEU  48   5.538  -6.325   0.349
  347    HG   LEU  48           HG       LEU  48   6.060  -5.580   2.565
  348   1HD1  LEU  48          1HD1      LEU  48   3.866  -7.452   3.269
  349   2HD1  LEU  48          2HD1      LEU  48   3.961  -5.680   3.404
  350   3HD1  LEU  48          3HD1      LEU  48   3.622  -6.436   1.828
  351   1HD2  LEU  48          1HD2      LEU  48   7.453  -7.117   3.563
  352   2HD2  LEU  48          2HD2      LEU  48   5.936  -7.390   4.453
  353   3HD2  LEU  48          3HD2      LEU  48   6.414  -8.501   3.147
  354    H    GLN  49           H        GLN  49   6.885  -9.489  -1.123
  355    HA   GLN  49           HA       GLN  49   5.839  -8.393  -3.393
  356   1HB   GLN  49          1HB       GLN  49   8.021  -9.736  -3.033
  357   2HB   GLN  49          2HB       GLN  49   7.055 -11.178  -3.271
  358   1HG   GLN  49          1HG       GLN  49   6.432 -10.505  -5.518
  359   2HG   GLN  49          2HG       GLN  49   7.065  -8.888  -5.282
  360   1HE2  GLN  49          1HE2      GLN  49   8.038 -12.305  -5.155
  361   2HE2  GLN  49          2HE2      GLN  49   9.626 -12.109  -5.818
  362    H    ASP  50           H        ASP  50   4.856 -11.323  -1.575
  363    HA   ASP  50           HA       ASP  50   3.145 -12.274  -3.577
  364   1HB   ASP  50          1HB       ASP  50   4.130 -13.505  -1.514
  365   2HB   ASP  50          2HB       ASP  50   2.861 -12.741  -0.579
  366    H    MET  51           H        MET  51   2.902  -9.991  -0.832
  367    HA   MET  51           HA       MET  51   0.095  -9.917  -0.770
  368   1HB   MET  51          1HB       MET  51   2.407  -8.328   0.348
  369   2HB   MET  51          2HB       MET  51   0.849  -7.526   0.334
  370   1HG   MET  51          1HG       MET  51  -0.123  -9.592   1.502
  371   2HG   MET  51          2HG       MET  51   1.515 -10.193   1.668
  372   1HE   MET  51          1HE       MET  51   2.695 -10.049   3.360
  373   2HE   MET  51          2HE       MET  51   2.886  -8.768   4.581
  374   3HE   MET  51          3HE       MET  51   1.537  -9.922   4.706
  375    H    ILE  52           H        ILE  52   2.590  -7.624  -2.096
  376    HA   ILE  52           HA       ILE  52   0.854  -5.775  -3.146
  377    HB   ILE  52           HB       ILE  52   2.715  -5.233  -4.694
  378   1HG1  ILE  52          1HG1      ILE  52   4.893  -6.541  -4.159
  379   2HG1  ILE  52          2HG1      ILE  52   3.825  -7.816  -3.606
  380   1HG2  ILE  52          1HG2      ILE  52   4.437  -5.062  -2.650
  381   2HG2  ILE  52          2HG2      ILE  52   2.994  -4.029  -2.795
  382   3HG2  ILE  52          3HG2      ILE  52   2.960  -5.463  -1.740
  383   1HD1  ILE  52          1HD1      ILE  52   2.930  -6.738  -6.184
  384   2HD1  ILE  52          2HD1      ILE  52   4.606  -7.332  -6.262
  385   3HD1  ILE  52          3HD1      ILE  52   3.300  -8.419  -5.730
  386    H    ASN  53           H        ASN  53   1.780  -9.001  -4.345
  387    HA   ASN  53           HA       ASN  53   0.905  -8.696  -6.935
  388   1HB   ASN  53          1HB       ASN  53   1.900 -10.784  -5.310
  389   2HB   ASN  53          2HB       ASN  53   0.314 -11.357  -5.787
  390   1HD2  ASN  53          1HD2      ASN  53   0.450 -12.657  -7.438
  391   2HD2  ASN  53          2HD2      ASN  53   1.432 -12.467  -8.852
  392    H    GLU  54           H        GLU  54  -0.777  -9.334  -3.840
  393    HA   GLU  54           HA       GLU  54  -3.194 -10.161  -5.010
  394   1HB   GLU  54          1HB       GLU  54  -2.390 -10.619  -2.630
  395   2HB   GLU  54          2HB       GLU  54  -2.788  -8.957  -2.241
  396   1HG   GLU  54          1HG       GLU  54  -4.941  -9.568  -1.899
  397   2HG   GLU  54          2HG       GLU  54  -5.074 -10.003  -3.591
  398    H    VAL  55           H        VAL  55  -2.208  -7.069  -3.356
  399    HA   VAL  55           HA       VAL  55  -4.540  -5.687  -3.946
  400    HB   VAL  55           HB       VAL  55  -3.416  -3.806  -3.181
  401   1HG1  VAL  55          1HG1      VAL  55  -1.555  -5.723  -1.858
  402   2HG1  VAL  55          2HG1      VAL  55  -2.645  -4.505  -1.152
  403   3HG1  VAL  55          3HG1      VAL  55  -3.298  -6.058  -1.727
  404   1HG2  VAL  55          1HG2      VAL  55  -0.781  -5.064  -4.018
  405   2HG2  VAL  55          2HG2      VAL  55  -1.640  -3.768  -4.885
  406   3HG2  VAL  55          3HG2      VAL  55  -0.991  -3.469  -3.255
  407    H    ASP  56           H        ASP  56  -1.513  -6.184  -5.819
  408    HA   ASP  56           HA       ASP  56  -1.817  -4.327  -7.735
  409   1HB   ASP  56          1HB       ASP  56   0.103  -5.840  -7.651
  410   2HB   ASP  56          2HB       ASP  56  -0.914  -7.231  -7.969
  411    H    ALA  57           H        ALA  57  -3.708  -3.868  -8.884
  412    HA   ALA  57           HA       ALA  57  -5.367  -6.145  -9.699
  413   1HB   ALA  57          1HB       ALA  57  -7.052  -4.210 -10.075
  414   2HB   ALA  57          2HB       ALA  57  -6.658  -4.657  -8.398
  415   3HB   ALA  57          3HB       ALA  57  -5.910  -3.220  -9.134
  416    H    ASP  58           H        ASP  58  -4.220  -2.898 -10.877
  417    HA   ASP  58           HA       ASP  58  -4.944  -3.036 -13.418
  418   1HB   ASP  58          1HB       ASP  58  -2.074  -2.271 -12.866
  419   2HB   ASP  58          2HB       ASP  58  -3.247  -1.460 -13.883
  420    H    GLY  59           H        GLY  59  -2.301  -4.834 -11.796
  421   1HA   GLY  59          1HA       GLY  59  -1.654  -6.970 -12.575
  422   2HA   GLY  59          2HA       GLY  59  -1.976  -6.470 -14.224
  423    H    ASP  60           H        ASP  60   0.406  -6.751 -11.730
  424    HA   ASP  60           HA       ASP  60   2.517  -6.397 -13.357
  425   1HB   ASP  60          1HB       ASP  60   3.371  -4.110 -12.466
  426   2HB   ASP  60          2HB       ASP  60   2.167  -4.087 -13.739
  427    H    GLY  61           H        GLY  61   1.513  -4.977 -10.143
  428   1HA   GLY  61          1HA       GLY  61   2.175  -6.762  -8.341
  429   2HA   GLY  61          2HA       GLY  61   3.785  -6.296  -8.851
  430    H    THR  62           H        THR  62   3.630  -3.568  -9.303
  431    HA   THR  62           HA       THR  62   3.846  -2.494  -6.773
  432    HB   THR  62           HB       THR  62   3.194  -1.145  -9.448
  433    HG1  THR  62           HG1      THR  62   5.163  -2.191  -9.706
  434   1HG2  THR  62          1HG2      THR  62   4.298   0.815  -8.531
  435   2HG2  THR  62          2HG2      THR  62   3.066   0.338  -7.339
  436   3HG2  THR  62          3HG2      THR  62   4.776  -0.069  -7.062
  437    H    ILE  63           H        ILE  63   2.556  -0.713  -5.769
  438    HA   ILE  63           HA       ILE  63  -0.267  -1.475  -5.912
  439    HB   ILE  63           HB       ILE  63   0.964   0.133  -3.706
  440   1HG1  ILE  63          1HG1      ILE  63   1.169  -2.870  -4.053
  441   2HG1  ILE  63          2HG1      ILE  63   2.489  -1.724  -3.924
  442   1HG2  ILE  63          1HG2      ILE  63  -1.512  -1.445  -4.170
  443   2HG2  ILE  63          2HG2      ILE  63  -0.807  -1.499  -2.536
  444   3HG2  ILE  63          3HG2      ILE  63  -1.256   0.064  -3.260
  445   1HD1  ILE  63          1HD1      ILE  63   1.008  -1.161  -1.635
  446   2HD1  ILE  63          2HD1      ILE  63   0.830  -2.924  -1.795
  447   3HD1  ILE  63          3HD1      ILE  63   2.452  -2.199  -1.697
  448    H    ASP  64           H        ASP  64  -1.677   0.593  -5.089
  449    HA   ASP  64           HA       ASP  64  -0.687   2.988  -6.318
  450   1HB   ASP  64          1HB       ASP  64  -1.928   1.462  -8.067
  451   2HB   ASP  64          2HB       ASP  64  -3.387   1.915  -7.209
  452    H    PHE  65           H        PHE  65  -2.777   4.673  -6.187
  453    HA   PHE  65           HA       PHE  65  -3.353   4.908  -3.473
  454   1HB   PHE  65          1HB       PHE  65  -3.715   6.282  -5.999
  455   2HB   PHE  65          2HB       PHE  65  -5.292   6.226  -5.236
  456    HD1  PHE  65           HD1      PHE  65  -5.225   6.874  -2.630
  457    HD2  PHE  65           HD2      PHE  65  -2.383   8.100  -5.533
  458    HE1  PHE  65           HE1      PHE  65  -4.597   8.831  -1.189
  459    HE2  PHE  65           HE2      PHE  65  -1.755  10.056  -4.092
  460    HZ   PHE  65           HZ       PHE  65  -2.869  10.399  -1.937
  461    HA   PRO  66           HA       PRO  66  -7.648   3.275  -4.608
  462   1HB   PRO  66          1HB       PRO  66  -8.122   2.230  -7.088
  463   2HB   PRO  66          2HB       PRO  66  -8.490   3.889  -6.661
  464   1HG   PRO  66          1HG       PRO  66  -6.266   2.849  -8.308
  465   2HG   PRO  66          2HG       PRO  66  -6.895   4.482  -8.218
  466   1HD   PRO  66          1HD       PRO  66  -4.486   3.503  -7.009
  467   2HD   PRO  66          2HD       PRO  66  -5.176   5.103  -6.825
  468    H    GLU  67           H        GLU  67  -4.937   1.569  -5.922
  469    HA   GLU  67           HA       GLU  67  -6.080  -0.966  -5.533
  470   1HB   GLU  67          1HB       GLU  67  -3.273   0.062  -6.018
  471   2HB   GLU  67          2HB       GLU  67  -3.531  -1.630  -5.643
  472   1HG   GLU  67          1HG       GLU  67  -5.149  -1.801  -7.551
  473   2HG   GLU  67          2HG       GLU  67  -4.876  -0.112  -7.930
  474    H    PHE  68           H        PHE  68  -3.837   1.121  -3.610
  475    HA   PHE  68           HA       PHE  68  -3.409  -0.749  -1.572
  476   1HB   PHE  68          1HB       PHE  68  -2.148   1.429  -2.166
  477   2HB   PHE  68          2HB       PHE  68  -3.495   2.326  -1.495
  478    HD1  PHE  68           HD1      PHE  68  -1.432   3.259  -0.174
  479    HD2  PHE  68           HD2      PHE  68  -3.043  -0.630   0.366
  480    HE1  PHE  68           HE1      PHE  68  -0.379   3.138   2.101
  481    HE2  PHE  68           HE2      PHE  68  -1.991  -0.750   2.641
  482    HZ   PHE  68           HZ       PHE  68  -0.671   1.135   3.482
  483    H    LEU  69           H        LEU  69  -5.805   1.934  -1.965
  484    HA   LEU  69           HA       LEU  69  -6.910   1.854   0.546
  485   1HB   LEU  69          1HB       LEU  69  -8.338   3.332  -0.292
  486   2HB   LEU  69          2HB       LEU  69  -7.321   3.261  -1.717
  487    HG   LEU  69           HG       LEU  69  -8.933   1.359  -2.488
  488   1HD1  LEU  69          1HD1      LEU  69 -11.274   2.440  -1.383
  489   2HD1  LEU  69          2HD1      LEU  69 -10.576   0.828  -1.093
  490   3HD1  LEU  69          3HD1      LEU  69 -10.171   2.181  -0.010
  491   1HD2  LEU  69          1HD2      LEU  69 -10.560   3.705  -2.763
  492   2HD2  LEU  69          2HD2      LEU  69  -8.842   4.160  -2.875
  493   3HD2  LEU  69          3HD2      LEU  69  -9.506   2.914  -3.959
  494    H    THR  70           H        THR  70  -7.280  -0.382  -2.200
  495    HA   THR  70           HA       THR  70  -9.544  -1.726  -1.105
  496    HB   THR  70           HB       THR  70  -7.555  -2.145  -3.362
  497    HG1  THR  70           HG1      THR  70  -9.617  -0.751  -3.257
  498   1HG2  THR  70          1HG2      THR  70  -8.283  -4.411  -2.221
  499   2HG2  THR  70          2HG2      THR  70  -9.902  -4.011  -2.845
  500   3HG2  THR  70          3HG2      THR  70  -8.542  -4.227  -3.972
  501    H    MET  71           H        MET  71  -6.013  -2.013  -0.771
  502    HA   MET  71           HA       MET  71  -5.966  -4.575   0.244
  503   1HB   MET  71          1HB       MET  71  -3.972  -3.196  -0.461
  504   2HB   MET  71          2HB       MET  71  -4.206  -2.154   0.929
  505   1HG   MET  71          1HG       MET  71  -4.088  -4.998   1.704
  506   2HG   MET  71          2HG       MET  71  -2.643  -4.497   0.848
  507   1HE   MET  71          1HE       MET  71  -1.061  -2.326   1.747
  508   2HE   MET  71          2HE       MET  71  -0.627  -2.861   3.388
  509   3HE   MET  71          3HE       MET  71  -0.811  -4.056   2.082
  510    H    MET  72           H        MET  72  -5.853  -1.435   2.091
  511    HA   MET  72           HA       MET  72  -6.082  -2.596   4.567
  512   1HB   MET  72          1HB       MET  72  -6.888  -0.264   5.242
  513   2HB   MET  72          2HB       MET  72  -5.421  -0.254   4.283
  514   1HG   MET  72          1HG       MET  72  -6.580   1.310   3.044
  515   2HG   MET  72          2HG       MET  72  -7.236  -0.112   2.258
  516   1HE   MET  72          1HE       MET  72  -9.851   2.732   2.744
  517   2HE   MET  72          2HE       MET  72  -8.499   2.106   1.770
  518   3HE   MET  72          3HE       MET  72 -10.059   1.247   1.785
  519    H    ALA  73           H        ALA  73  -8.620  -1.470   2.265
  520    HA   ALA  73           HA       ALA  73 -10.791  -1.763   3.990
  521   1HB   ALA  73          1HB       ALA  73 -11.498  -0.655   2.143
  522   2HB   ALA  73          2HB       ALA  73 -10.274  -1.419   1.101
  523   3HB   ALA  73          3HB       ALA  73 -11.788  -2.278   1.472
  524    H    ARG  74           H        ARG  74  -9.464  -4.030   1.473
  525    HA   ARG  74           HA       ARG  74 -11.209  -6.068   2.077
  526   1HB   ARG  74          1HB       ARG  74  -8.406  -6.050   0.872
  527   2HB   ARG  74          2HB       ARG  74  -9.330  -7.532   1.016
  528   1HG   ARG  74          1HG       ARG  74 -11.095  -5.576  -0.119
  529   2HG   ARG  74          2HG       ARG  74  -9.572  -5.430  -0.973
  530   1HD   ARG  74          1HD       ARG  74  -9.845  -7.438  -2.032
  531   2HD   ARG  74          2HD       ARG  74 -10.318  -8.252  -0.554
  532    HE   ARG  74           HE       ARG  74 -12.591  -7.801  -1.028
  533   1HH1  ARG  74          2HH2      ARG  74 -10.501  -6.080  -3.275
  534   2HH1  ARG  74          1HH2      ARG  74 -11.793  -5.645  -4.344
  535   1HH2  ARG  74          2HH1      ARG  74 -14.297  -7.227  -2.436
  536   2HH2  ARG  74          1HH1      ARG  74 -13.967  -6.302  -3.863
  537    H    LYS  75           H        LYS  75  -7.999  -5.165   3.423
  538    HA   LYS  75           HA       LYS  75  -7.252  -7.362   4.775
  539   1HB   LYS  75          1HB       LYS  75  -6.851  -4.497   5.016
  540   2HB   LYS  75          2HB       LYS  75  -6.849  -5.257   6.594
  541   1HG   LYS  75          1HG       LYS  75  -5.333  -6.721   4.473
  542   2HG   LYS  75          2HG       LYS  75  -4.665  -5.168   4.931
  543   1HD   LYS  75          1HD       LYS  75  -3.630  -6.641   6.457
  544   2HD   LYS  75          2HD       LYS  75  -4.953  -5.985   7.399
  545   1HE   LYS  75          1HE       LYS  75  -6.322  -8.049   6.501
  546   2HE   LYS  75          2HE       LYS  75  -4.756  -8.718   6.089
  547   1HZ   LYS  75          1HZ       LYS  75  -5.579  -9.283   8.329
  548   2HZ   LYS  75          2HZ       LYS  75  -4.098  -8.594   8.333
  549   3HZ   LYS  75          3HZ       LYS  75  -5.407  -7.720   8.771
  550    H    MET  76           H        MET  76  -9.501  -4.843   6.132
  551    HA   MET  76           HA       MET  76 -10.099  -6.196   8.418
  552   1HB   MET  76          1HB       MET  76 -11.578  -4.208   6.654
  553   2HB   MET  76          2HB       MET  76 -12.408  -4.872   8.047
  554   1HG   MET  76          1HG       MET  76 -10.329  -4.166   9.435
  555   2HG   MET  76          2HG       MET  76  -9.825  -3.251   8.028
  556   1HE   MET  76          1HE       MET  76 -11.447  -2.020  11.342
  557   2HE   MET  76          2HE       MET  76  -9.915  -2.072  10.438
  558   3HE   MET  76          3HE       MET  76 -10.926  -0.607  10.393
  559    H    LYS  77           H        LYS  77 -11.599  -6.463   5.150
  560    HA   LYS  77           HA       LYS  77 -13.730  -8.095   5.898
  561   1HB   LYS  77          1HB       LYS  77 -12.525  -7.087   3.470
  562   2HB   LYS  77          2HB       LYS  77 -12.967  -8.770   3.264
  563   1HG   LYS  77          1HG       LYS  77 -15.005  -7.784   2.746
  564   2HG   LYS  77          2HG       LYS  77 -15.228  -7.998   4.471
  565   1HD   LYS  77          1HD       LYS  77 -15.225  -5.748   4.869
  566   2HD   LYS  77          2HD       LYS  77 -13.829  -5.478   3.844
  567   1HE   LYS  77          1HE       LYS  77 -15.673  -4.305   2.815
  568   2HE   LYS  77          2HE       LYS  77 -15.360  -5.711   1.817
  569   1HZ   LYS  77          1HZ       LYS  77 -17.714  -5.053   3.040
  570   2HZ   LYS  77          2HZ       LYS  77 -17.381  -6.435   2.237
  571   3HZ   LYS  77          3HZ       LYS  77 -17.173  -6.360   3.855
  572    H    ASP  78           H        ASP  78 -10.426  -8.928   4.652
  573    HA   ASP  78           HA       ASP  78 -10.795 -11.645   4.713
  574   1HB   ASP  78          1HB       ASP  78  -8.553  -9.745   4.557
  575   2HB   ASP  78          2HB       ASP  78  -8.093 -11.200   5.418
  576    H    THR  79           H        THR  79  -9.067  -9.497   7.112
  577    HA   THR  79           HA       THR  79  -8.746 -11.477   9.065
  578    HB   THR  79           HB       THR  79  -7.609  -9.139   8.720
  579    HG1  THR  79           HG1      THR  79  -6.956  -9.631  10.790
  580   1HG2  THR  79          1HG2      THR  79 -10.168  -8.166   9.229
  581   2HG2  THR  79          2HG2      THR  79  -9.424  -8.123  10.845
  582   3HG2  THR  79          3HG2      THR  79  -8.668  -7.245   9.494
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1 -17.839   7.929   5.039
    2    HA   ALA   1           HA       ALA   1 -19.658   8.406   2.970
    3   1HB   ALA   1          1HB       ALA   1 -16.955   7.525   3.327
    4   2HB   ALA   1          2HB       ALA   1 -17.770   6.374   2.242
    5   3HB   ALA   1          3HB       ALA   1 -17.742   8.108   1.840
    6    H    ASP   2           H        ASP   2 -19.772   6.139   1.375
    7    HA   ASP   2           HA       ASP   2 -21.963   4.857   2.446
    8   1HB   ASP   2          1HB       ASP   2 -20.147   4.474   0.091
    9   2HB   ASP   2          2HB       ASP   2 -21.115   3.084   0.541
   10    H    GLN   3           H        GLN   3 -18.470   4.260   2.619
   11    HA   GLN   3           HA       GLN   3 -19.023   2.000   4.344
   12   1HB   GLN   3          1HB       GLN   3 -17.035   1.958   2.031
   13   2HB   GLN   3          2HB       GLN   3 -17.094   0.743   3.292
   14   1HG   GLN   3          1HG       GLN   3 -19.774   0.967   2.414
   15   2HG   GLN   3          2HG       GLN   3 -18.827   1.065   0.942
   16   1HE2  GLN   3          1HE2      GLN   3 -20.029  -0.913   3.431
   17   2HE2  GLN   3          2HE2      GLN   3 -19.301  -2.419   2.981
   18    H    LEU   4           H        LEU   4 -16.071   3.556   2.891
   19    HA   LEU   4           HA       LEU   4 -15.449   5.048   5.170
   20   1HB   LEU   4          1HB       LEU   4 -13.579   3.769   6.061
   21   2HB   LEU   4          2HB       LEU   4 -15.114   2.955   6.287
   22    HG   LEU   4           HG       LEU   4 -13.441   1.334   5.710
   23   1HD1  LEU   4          1HD1      LEU   4 -15.784   1.155   4.753
   24   2HD1  LEU   4          2HD1      LEU   4 -15.093   1.705   3.207
   25   3HD1  LEU   4          3HD1      LEU   4 -14.522   0.191   3.950
   26   1HD2  LEU   4          1HD2      LEU   4 -12.034   1.397   3.820
   27   2HD2  LEU   4          2HD2      LEU   4 -12.947   2.733   3.079
   28   3HD2  LEU   4          3HD2      LEU   4 -11.956   3.028   4.528
   29    H    THR   5           H        THR   5 -15.639   5.217   2.249
   30    HA   THR   5           HA       THR   5 -12.991   5.212   1.190
   31    HB   THR   5           HB       THR   5 -15.536   6.586   0.184
   32    HG1  THR   5           HG1      THR   5 -15.984   4.484  -0.626
   33   1HG2  THR   5          1HG2      THR   5 -14.572   6.260  -2.023
   34   2HG2  THR   5          2HG2      THR   5 -13.308   7.034  -1.037
   35   3HG2  THR   5          3HG2      THR   5 -13.239   5.285  -1.358
   36    H    GLU   6           H        GLU   6 -15.272   7.904   2.049
   37    HA   GLU   6           HA       GLU   6 -13.454   9.900   1.619
   38   1HB   GLU   6          1HB       GLU   6 -15.808  10.390   1.912
   39   2HB   GLU   6          2HB       GLU   6 -15.817   9.715   3.529
   40   1HG   GLU   6          1HG       GLU   6 -14.879  11.597   4.475
   41   2HG   GLU   6          2HG       GLU   6 -13.817  11.886   3.111
   42    H    GLU   7           H        GLU   7 -14.254   8.179   4.717
   43    HA   GLU   7           HA       GLU   7 -12.577   9.557   6.345
   44   1HB   GLU   7          1HB       GLU   7 -13.043   6.553   6.525
   45   2HB   GLU   7          2HB       GLU   7 -12.706   7.652   7.847
   46   1HG   GLU   7          1HG       GLU   7 -14.975   8.750   6.530
   47   2HG   GLU   7          2HG       GLU   7 -15.267   7.023   6.583
   48    H    GLN   8           H        GLN   8 -11.848   6.619   4.347
   49    HA   GLN   8           HA       GLN   8  -9.197   6.456   5.198
   50   1HB   GLN   8          1HB       GLN   8 -10.872   5.249   3.030
   51   2HB   GLN   8          2HB       GLN   8  -9.138   5.198   2.782
   52   1HG   GLN   8          1HG       GLN   8 -10.555   4.209   5.302
   53   2HG   GLN   8          2HG       GLN   8 -10.026   3.174   3.991
   54   1HE2  GLN   8          1HE2      GLN   8  -8.935   2.265   5.983
   55   2HE2  GLN   8          2HE2      GLN   8  -7.324   2.801   6.326
   56    H    ILE   9           H        ILE   9 -10.646   7.685   2.092
   57    HA   ILE   9           HA       ILE   9  -8.462   8.500   0.785
   58    HB   ILE   9           HB       ILE   9 -11.170   9.759   1.084
   59   1HG1  ILE   9          1HG1      ILE   9 -10.928   7.555  -0.048
   60   2HG1  ILE   9          2HG1      ILE   9 -11.591   8.813  -1.072
   61   1HG2  ILE   9          1HG2      ILE   9  -9.713  11.618   0.595
   62   2HG2  ILE   9          2HG2      ILE   9  -8.925  10.706  -0.716
   63   3HG2  ILE   9          3HG2      ILE   9 -10.632  11.187  -0.867
   64   1HD1  ILE   9          1HD1      ILE   9  -9.866   8.649  -2.536
   65   2HD1  ILE   9          2HD1      ILE   9  -8.664   8.774  -1.230
   66   3HD1  ILE   9          3HD1      ILE   9  -9.364   7.192  -1.646
   67    H    ALA  10           H        ALA  10  -9.933  10.080   3.653
   68    HA   ALA  10           HA       ALA  10  -8.433  12.417   3.592
   69   1HB   ALA  10          1HB       ALA  10 -10.005  12.656   5.202
   70   2HB   ALA  10          2HB       ALA  10 -10.108  10.902   5.483
   71   3HB   ALA  10          3HB       ALA  10  -8.833  11.857   6.277
   72    H    GLU  11           H        GLU  11  -7.824   9.337   5.433
   73    HA   GLU  11           HA       GLU  11  -5.303  10.196   6.277
   74   1HB   GLU  11          1HB       GLU  11  -6.850   7.625   6.305
   75   2HB   GLU  11          2HB       GLU  11  -5.119   7.507   6.548
   76   1HG   GLU  11          1HG       GLU  11  -5.314   9.271   8.369
   77   2HG   GLU  11          2HG       GLU  11  -7.055   9.217   8.178
   78    H    PHE  12           H        PHE  12  -6.414   8.004   3.616
   79    HA   PHE  12           HA       PHE  12  -3.953   7.192   2.716
   80   1HB   PHE  12          1HB       PHE  12  -6.755   7.528   1.757
   81   2HB   PHE  12          2HB       PHE  12  -5.599   7.621   0.443
   82    HD1  PHE  12           HD1      PHE  12  -6.053   5.493   3.489
   83    HD2  PHE  12           HD2      PHE  12  -5.287   5.647  -0.682
   84    HE1  PHE  12           HE1      PHE  12  -5.931   2.987   3.419
   85    HE2  PHE  12           HE2      PHE  12  -5.164   3.141  -0.752
   86    HZ   PHE  12           HZ       PHE  12  -5.488   1.841   1.299
   87    H    LYS  13           H        LYS  13  -5.832  10.165   1.862
   88    HA   LYS  13           HA       LYS  13  -4.300  11.117  -0.170
   89   1HB   LYS  13          1HB       LYS  13  -6.398  12.124   0.587
   90   2HB   LYS  13          2HB       LYS  13  -5.633  12.675   2.064
   91   1HG   LYS  13          1HG       LYS  13  -4.699  14.478   1.031
   92   2HG   LYS  13          2HG       LYS  13  -4.088  13.503  -0.291
   93   1HD   LYS  13          1HD       LYS  13  -7.048  13.915  -0.284
   94   2HD   LYS  13          2HD       LYS  13  -6.097  15.363  -0.548
   95   1HE   LYS  13          1HE       LYS  13  -5.106  13.052  -2.109
   96   2HE   LYS  13          2HE       LYS  13  -6.765  13.465  -2.495
   97   1HZ   LYS  13          1HZ       LYS  13  -5.078  15.743  -2.260
   98   2HZ   LYS  13          2HZ       LYS  13  -4.596  14.723  -3.440
   99   3HZ   LYS  13          3HZ       LYS  13  -6.110  15.333  -3.457
  100    H    GLU  14           H        GLU  14  -3.821  11.909   3.350
  101    HA   GLU  14           HA       GLU  14  -1.364  13.142   2.842
  102   1HB   GLU  14          1HB       GLU  14  -3.099  12.634   5.108
  103   2HB   GLU  14          2HB       GLU  14  -1.450  12.248   5.559
  104   1HG   GLU  14          1HG       GLU  14  -0.663  14.455   5.007
  105   2HG   GLU  14          2HG       GLU  14  -2.121  14.841   4.115
  106    H    ALA  15           H        ALA  15  -2.264   9.892   4.183
  107    HA   ALA  15           HA       ALA  15   0.197   8.910   4.755
  108   1HB   ALA  15          1HB       ALA  15  -2.083   7.428   3.384
  109   2HB   ALA  15          2HB       ALA  15  -0.794   6.704   4.375
  110   3HB   ALA  15          3HB       ALA  15  -1.994   7.783   5.126
  111    H    PHE  16           H        PHE  16  -1.426   9.045   1.523
  112    HA   PHE  16           HA       PHE  16   0.169   7.645  -0.047
  113   1HB   PHE  16          1HB       PHE  16  -1.742   9.431  -0.486
  114   2HB   PHE  16          2HB       PHE  16  -0.440  10.598  -0.610
  115    HD1  PHE  16           HD1      PHE  16  -0.571   7.089  -1.856
  116    HD2  PHE  16           HD2      PHE  16  -0.410  11.211  -2.851
  117    HE1  PHE  16           HE1      PHE  16  -0.268   6.493  -4.276
  118    HE2  PHE  16           HE2      PHE  16  -0.107  10.616  -5.271
  119    HZ   PHE  16           HZ       PHE  16  -0.040   8.264  -5.954
  120    H    SER  17           H        SER  17   0.998  10.919   1.260
  121    HA   SER  17           HA       SER  17   3.307  11.306  -0.116
  122   1HB   SER  17          1HB       SER  17   2.383  13.061   1.258
  123   2HB   SER  17          2HB       SER  17   2.503  12.089   2.712
  124    HG   SER  17           HG       SER  17   4.853  12.774   1.189
  125    H    LEU  18           H        LEU  18   2.873   9.703   3.121
  126    HA   LEU  18           HA       LEU  18   5.609   8.976   3.294
  127   1HB   LEU  18          1HB       LEU  18   3.124   8.206   4.812
  128   2HB   LEU  18          2HB       LEU  18   4.688   7.498   5.162
  129    HG   LEU  18           HG       LEU  18   4.101  10.469   5.258
  130   1HD1  LEU  18          1HD1      LEU  18   4.380   8.579   7.605
  131   2HD1  LEU  18          2HD1      LEU  18   3.951  10.306   7.635
  132   3HD1  LEU  18          3HD1      LEU  18   2.821   9.120   6.938
  133   1HD2  LEU  18          1HD2      LEU  18   6.347  10.533   5.082
  134   2HD2  LEU  18          2HD2      LEU  18   6.285  10.107   6.809
  135   3HD2  LEU  18          3HD2      LEU  18   6.548   8.838   5.589
  136    H    PHE  19           H        PHE  19   2.566   7.090   2.659
  137    HA   PHE  19           HA       PHE  19   3.634   4.651   2.243
  138   1HB   PHE  19          1HB       PHE  19   1.408   6.306   0.990
  139   2HB   PHE  19          2HB       PHE  19   1.727   4.727   0.301
  140    HD1  PHE  19           HD1      PHE  19   2.414   3.215   2.791
  141    HD2  PHE  19           HD2      PHE  19  -0.679   6.010   2.000
  142    HE1  PHE  19           HE1      PHE  19   0.999   2.152   4.571
  143    HE2  PHE  19           HE2      PHE  19  -2.095   4.947   3.780
  144    HZ   PHE  19           HZ       PHE  19  -1.239   3.031   5.044
  145    H    ASP  20           H        ASP  20   3.547   7.402  -0.093
  146    HA   ASP  20           HA       ASP  20   4.861   5.769  -2.051
  147   1HB   ASP  20          1HB       ASP  20   3.063   7.601  -2.484
  148   2HB   ASP  20          2HB       ASP  20   4.337   8.767  -2.185
  149    H    LYS  21           H        LYS  21   7.040   5.421  -1.436
  150    HA   LYS  21           HA       LYS  21   8.543   7.431  -0.105
  151   1HB   LYS  21          1HB       LYS  21   9.557   4.915  -1.454
  152   2HB   LYS  21          2HB       LYS  21  10.352   5.845  -0.199
  153   1HG   LYS  21          1HG       LYS  21   7.622   4.535   0.182
  154   2HG   LYS  21          2HG       LYS  21   9.128   3.739   0.595
  155   1HD   LYS  21          1HD       LYS  21   9.669   5.416   2.261
  156   2HD   LYS  21          2HD       LYS  21   8.398   6.485   1.699
  157   1HE   LYS  21          1HE       LYS  21   6.684   4.767   2.385
  158   2HE   LYS  21          2HE       LYS  21   7.972   3.752   3.001
  159   1HZ   LYS  21          1HZ       LYS  21   8.593   5.766   4.367
  160   2HZ   LYS  21          2HZ       LYS  21   7.123   6.368   3.988
  161   3HZ   LYS  21          3HZ       LYS  21   7.242   4.961   4.809
  162    H    ASP  22           H        ASP  22   8.838   5.921  -3.403
  163    HA   ASP  22           HA       ASP  22  10.764   7.552  -4.349
  164   1HB   ASP  22          1HB       ASP  22   8.389   6.190  -5.644
  165   2HB   ASP  22          2HB       ASP  22   9.417   7.216  -6.625
  166    H    GLY  23           H        GLY  23   7.149   7.969  -4.591
  167   1HA   GLY  23          1HA       GLY  23   6.036   9.993  -4.291
  168   2HA   GLY  23          2HA       GLY  23   7.513  10.876  -4.620
  169    H    ASP  24           H        ASP  24   6.323   8.126  -6.597
  170    HA   ASP  24           HA       ASP  24   6.041  10.032  -8.776
  171   1HB   ASP  24          1HB       ASP  24   6.422   8.127 -10.277
  172   2HB   ASP  24          2HB       ASP  24   7.711   8.209  -9.093
  173    H    GLY  25           H        GLY  25   4.153   8.791  -6.468
  174   1HA   GLY  25          1HA       GLY  25   1.855   8.743  -6.433
  175   2HA   GLY  25          2HA       GLY  25   1.808   8.616  -8.181
  176    H    THR  26           H        THR  26   4.062   6.403  -7.798
  177    HA   THR  26           HA       THR  26   2.117   4.246  -7.353
  178    HB   THR  26           HB       THR  26   4.843   4.034  -8.700
  179    HG1  THR  26           HG1      THR  26   3.684   4.717 -10.611
  180   1HG2  THR  26          1HG2      THR  26   4.072   1.922  -9.111
  181   2HG2  THR  26          2HG2      THR  26   2.523   2.301  -8.319
  182   3HG2  THR  26          3HG2      THR  26   2.744   2.644 -10.051
  183    H    ILE  27           H        ILE  27   2.384   2.700  -5.809
  184    HA   ILE  27           HA       ILE  27   4.619   3.196  -3.981
  185    HB   ILE  27           HB       ILE  27   1.818   2.222  -3.655
  186   1HG1  ILE  27          1HG1      ILE  27   2.027   3.729  -1.624
  187   2HG1  ILE  27          2HG1      ILE  27   3.602   4.206  -2.225
  188   1HG2  ILE  27          1HG2      ILE  27   4.165   1.404  -1.947
  189   2HG2  ILE  27          2HG2      ILE  27   2.512   1.509  -1.296
  190   3HG2  ILE  27          3HG2      ILE  27   2.872   0.394  -2.636
  191   1HD1  ILE  27          1HD1      ILE  27   1.048   4.405  -3.882
  192   2HD1  ILE  27          2HD1      ILE  27   1.712   5.746  -2.919
  193   3HD1  ILE  27          3HD1      ILE  27   2.643   5.084  -4.284
  194    H    THR  28           H        THR  28   6.301   2.029  -4.914
  195    HA   THR  28           HA       THR  28   5.959  -0.515  -6.067
  196    HB   THR  28           HB       THR  28   8.361   1.008  -4.935
  197    HG1  THR  28           HG1      THR  28   7.458   1.969  -6.811
  198   1HG2  THR  28          1HG2      THR  28   8.427  -1.288  -6.941
  199   2HG2  THR  28          2HG2      THR  28   9.796  -0.529  -6.095
  200   3HG2  THR  28          3HG2      THR  28   8.668  -1.576  -5.201
  201    H    THR  29           H        THR  29   6.796  -2.591  -5.302
  202    HA   THR  29           HA       THR  29   5.662  -3.330  -2.891
  203    HB   THR  29           HB       THR  29   6.801  -5.459  -3.332
  204    HG1  THR  29           HG1      THR  29   8.772  -5.374  -4.411
  205   1HG2  THR  29          1HG2      THR  29   5.165  -4.382  -5.194
  206   2HG2  THR  29          2HG2      THR  29   6.672  -4.358  -6.140
  207   3HG2  THR  29          3HG2      THR  29   6.043  -5.898  -5.506
  208    H    LYS  30           H        LYS  30   9.131  -2.586  -3.614
  209    HA   LYS  30           HA       LYS  30  10.050  -3.095  -1.045
  210   1HB   LYS  30          1HB       LYS  30  12.044  -2.009  -1.723
  211   2HB   LYS  30          2HB       LYS  30  11.405  -2.807  -3.146
  212   1HG   LYS  30          1HG       LYS  30  10.216  -0.501  -3.620
  213   2HG   LYS  30          2HG       LYS  30  11.368   0.153  -2.473
  214   1HD   LYS  30          1HD       LYS  30  13.132  -1.209  -3.964
  215   2HD   LYS  30          2HD       LYS  30  11.879  -1.082  -5.182
  216   1HE   LYS  30          1HE       LYS  30  11.832   1.412  -4.850
  217   2HE   LYS  30          2HE       LYS  30  13.118   1.268  -3.668
  218   1HZ   LYS  30          1HZ       LYS  30  14.425   0.179  -5.460
  219   2HZ   LYS  30          2HZ       LYS  30  13.262   0.611  -6.522
  220   3HZ   LYS  30          3HZ       LYS  30  14.101   1.759  -5.720
  221    H    GLU  31           H        GLU  31   8.472  -0.228  -2.495
  222    HA   GLU  31           HA       GLU  31   9.055   1.470  -0.352
  223   1HB   GLU  31          1HB       GLU  31   6.871   1.549  -2.476
  224   2HB   GLU  31          2HB       GLU  31   7.150   2.852  -1.338
  225   1HG   GLU  31          1HG       GLU  31   9.511   3.055  -2.156
  226   2HG   GLU  31          2HG       GLU  31   9.225   1.758  -3.299
  227    H    LEU  32           H        LEU  32   6.520  -0.945  -0.991
  228    HA   LEU  32           HA       LEU  32   4.692  -0.072   0.944
  229   1HB   LEU  32          1HB       LEU  32   3.945  -1.520  -0.746
  230   2HB   LEU  32          2HB       LEU  32   5.213  -2.690  -0.439
  231    HG   LEU  32           HG       LEU  32   3.024  -2.081   1.559
  232   1HD1  LEU  32          1HD1      LEU  32   2.247  -4.453   0.650
  233   2HD1  LEU  32          2HD1      LEU  32   1.689  -2.929  -0.081
  234   3HD1  LEU  32          3HD1      LEU  32   3.008  -3.851  -0.842
  235   1HD2  LEU  32          1HD2      LEU  32   4.267  -3.329   2.910
  236   2HD2  LEU  32          2HD2      LEU  32   3.952  -4.711   1.833
  237   3HD2  LEU  32          3HD2      LEU  32   5.409  -3.715   1.600
  238    H    GLY  33           H        GLY  33   7.428  -2.439   1.054
  239   1HA   GLY  33          1HA       GLY  33   7.034  -3.163   3.761
  240   2HA   GLY  33          2HA       GLY  33   8.476  -3.405   2.796
  241    H    THR  34           H        THR  34   8.363  -0.310   2.205
  242    HA   THR  34           HA       THR  34  10.185   0.392   4.271
  243    HB   THR  34           HB       THR  34   8.799   2.115   2.150
  244    HG1  THR  34           HG1      THR  34  10.876   1.449   1.033
  245   1HG2  THR  34          1HG2      THR  34  11.397   2.954   2.321
  246   2HG2  THR  34          2HG2      THR  34  10.085   3.702   3.263
  247   3HG2  THR  34          3HG2      THR  34  11.129   2.470   4.012
  248    H    VAL  35           H        VAL  35   6.738   1.156   3.580
  249    HA   VAL  35           HA       VAL  35   6.550   2.995   5.731
  250    HB   VAL  35           HB       VAL  35   4.366   1.462   4.310
  251   1HG1  VAL  35          1HG1      VAL  35   3.081   3.606   4.841
  252   2HG1  VAL  35          2HG1      VAL  35   3.440   2.527   6.211
  253   3HG1  VAL  35          3HG1      VAL  35   4.408   3.999   5.960
  254   1HG2  VAL  35          1HG2      VAL  35   5.103   4.233   3.483
  255   2HG2  VAL  35          2HG2      VAL  35   6.172   2.908   2.964
  256   3HG2  VAL  35          3HG2      VAL  35   4.448   2.884   2.524
  257    H    MET  36           H        MET  36   5.542  -0.459   5.253
  258    HA   MET  36           HA       MET  36   4.347  -0.932   7.588
  259   1HB   MET  36          1HB       MET  36   6.415  -2.676   6.136
  260   2HB   MET  36          2HB       MET  36   5.317  -3.292   7.355
  261   1HG   MET  36          1HG       MET  36   4.309  -1.837   4.872
  262   2HG   MET  36          2HG       MET  36   4.596  -3.566   4.879
  263   1HE   MET  36          1HE       MET  36   2.287  -2.555   3.997
  264   2HE   MET  36          2HE       MET  36   1.194  -3.777   4.691
  265   3HE   MET  36          3HE       MET  36   0.949  -2.052   5.057
  266    H    ARG  37           H        ARG  37   7.924  -1.394   7.058
  267    HA   ARG  37           HA       ARG  37   8.457  -1.902   9.710
  268   1HB   ARG  37          1HB       ARG  37  10.845  -1.326   9.074
  269   2HB   ARG  37          2HB       ARG  37  10.080  -2.459   7.978
  270   1HG   ARG  37          1HG       ARG  37  10.880  -1.001   6.383
  271   2HG   ARG  37          2HG       ARG  37   9.377  -0.164   6.718
  272   1HD   ARG  37          1HD       ARG  37  10.457   1.623   7.644
  273   2HD   ARG  37          2HD       ARG  37  11.476   0.599   8.635
  274    HE   ARG  37           HE       ARG  37  12.447   0.304   6.011
  275   1HH1  ARG  37          2HH2      ARG  37  12.039   2.936   8.310
  276   2HH1  ARG  37          1HH2      ARG  37  13.373   3.852   7.692
  277   1HH2  ARG  37          2HH1      ARG  37  14.206   1.513   5.195
  278   2HH2  ARG  37          1HH1      ARG  37  14.614   3.037   5.908
  279    H    SER  38           H        SER  38   8.324   1.151   7.812
  280    HA   SER  38           HA       SER  38   9.563   2.877   9.433
  281   1HB   SER  38          1HB       SER  38   7.746   3.029   7.289
  282   2HB   SER  38          2HB       SER  38   6.979   3.969   8.553
  283    HG   SER  38           HG       SER  38   9.526   4.724   8.633
  284    H    LEU  39           H        LEU  39   6.587   1.098  10.062
  285    HA   LEU  39           HA       LEU  39   5.733   2.836  12.182
  286   1HB   LEU  39          1HB       LEU  39   4.808   0.128  11.222
  287   2HB   LEU  39          2HB       LEU  39   4.078   0.987  12.564
  288    HG   LEU  39           HG       LEU  39   4.292   2.525  10.038
  289   1HD1  LEU  39          1HD1      LEU  39   2.803   1.367   8.744
  290   2HD1  LEU  39          2HD1      LEU  39   3.649   0.014   9.533
  291   3HD1  LEU  39          3HD1      LEU  39   2.058   0.541  10.133
  292   1HD2  LEU  39          1HD2      LEU  39   3.112   3.061  12.340
  293   2HD2  LEU  39          2HD2      LEU  39   2.413   3.590  10.790
  294   3HD2  LEU  39          3HD2      LEU  39   1.776   2.142  11.606
  295    H    GLY  40           H        GLY  40   7.402  -0.342  11.828
  296   1HA   GLY  40          1HA       GLY  40   9.086  -0.107  13.956
  297   2HA   GLY  40          2HA       GLY  40   7.610  -0.728  14.669
  298    H    GLN  41           H        GLN  41   6.766  -2.186  12.185
  299    HA   GLN  41           HA       GLN  41   7.962  -4.606  12.780
  300   1HB   GLN  41          1HB       GLN  41   6.419  -3.748  10.291
  301   2HB   GLN  41          2HB       GLN  41   6.785  -5.411  10.705
  302   1HG   GLN  41          1HG       GLN  41   5.641  -4.246  13.053
  303   2HG   GLN  41          2HG       GLN  41   4.649  -3.709  11.712
  304   1HE2  GLN  41          1HE2      GLN  41   4.894  -5.981  13.976
  305   2HE2  GLN  41          2HE2      GLN  41   4.143  -7.345  13.216
  306    H    ASN  42           H        ASN  42   8.649  -5.902  10.410
  307    HA   ASN  42           HA       ASN  42  10.470  -4.372   8.908
  308   1HB   ASN  42          1HB       ASN  42  11.566  -5.071  11.309
  309   2HB   ASN  42          2HB       ASN  42  11.898  -6.549  10.429
  310   1HD2  ASN  42          1HD2      ASN  42  11.890  -3.052   9.721
  311   2HD2  ASN  42          2HD2      ASN  42  13.457  -2.974   8.989
  312    HA   PRO  43           HA       PRO  43   8.943  -8.471   7.408
  313   1HB   PRO  43          1HB       PRO  43   7.194  -7.618   5.489
  314   2HB   PRO  43          2HB       PRO  43   6.698  -8.054   7.112
  315   1HG   PRO  43          1HG       PRO  43   6.969  -5.364   5.918
  316   2HG   PRO  43          2HG       PRO  43   6.089  -5.843   7.356
  317   1HD   PRO  43          1HD       PRO  43   8.627  -4.510   7.261
  318   2HD   PRO  43          2HD       PRO  43   7.802  -5.093   8.693
  319    H    THR  44           H        THR  44   8.961  -9.427   5.099
  320    HA   THR  44           HA       THR  44  11.294  -8.169   3.837
  321    HB   THR  44           HB       THR  44  11.298 -10.567   2.732
  322    HG1  THR  44           HG1      THR  44   9.032 -10.842   3.655
  323   1HG2  THR  44          1HG2      THR  44  12.674 -11.379   4.443
  324   2HG2  THR  44          2HG2      THR  44  12.657  -9.656   4.887
  325   3HG2  THR  44          3HG2      THR  44  11.585 -10.803   5.726
  326    H    GLU  45           H        GLU  45  11.400  -7.861   1.561
  327    HA   GLU  45           HA       GLU  45   8.987  -6.885   0.541
  328   1HB   GLU  45          1HB       GLU  45  10.301  -6.402  -1.491
  329   2HB   GLU  45          2HB       GLU  45  11.187  -5.933  -0.054
  330   1HG   GLU  45          1HG       GLU  45  12.063  -8.518  -0.320
  331   2HG   GLU  45          2HG       GLU  45  11.753  -8.134  -2.001
  332    H    ALA  46           H        ALA  46  10.438 -10.044   0.598
  333    HA   ALA  46           HA       ALA  46   9.327 -11.024  -1.818
  334   1HB   ALA  46          1HB       ALA  46  10.692 -12.116   0.615
  335   2HB   ALA  46          2HB       ALA  46   9.744 -13.250  -0.376
  336   3HB   ALA  46          3HB       ALA  46  11.082 -12.333  -1.108
  337    H    GLU  47           H        GLU  47   8.439 -11.563   1.672
  338    HA   GLU  47           HA       GLU  47   6.141 -12.924   1.196
  339   1HB   GLU  47          1HB       GLU  47   6.870 -11.010   3.448
  340   2HB   GLU  47          2HB       GLU  47   5.419 -11.992   3.479
  341   1HG   GLU  47          1HG       GLU  47   8.170 -13.218   3.025
  342   2HG   GLU  47          2HG       GLU  47   7.535 -12.954   4.637
  343    H    LEU  48           H        LEU  48   6.681  -9.362   1.318
  344    HA   LEU  48           HA       LEU  48   3.931  -8.731   1.046
  345   1HB   LEU  48          1HB       LEU  48   6.515  -7.222   0.868
  346   2HB   LEU  48          2HB       LEU  48   5.020  -6.465   0.352
  347    HG   LEU  48           HG       LEU  48   5.446  -5.797   2.599
  348   1HD1  LEU  48          1HD1      LEU  48   3.368  -6.118   3.460
  349   2HD1  LEU  48          2HD1      LEU  48   3.080  -6.748   1.820
  350   3HD1  LEU  48          3HD1      LEU  48   3.387  -7.873   3.164
  351   1HD2  LEU  48          1HD2      LEU  48   6.973  -7.323   3.470
  352   2HD2  LEU  48          2HD2      LEU  48   5.504  -7.613   4.432
  353   3HD2  LEU  48          3HD2      LEU  48   5.936  -8.724   3.109
  354    H    GLN  49           H        GLN  49   6.481  -9.742  -1.134
  355    HA   GLN  49           HA       GLN  49   5.625  -8.541  -3.449
  356   1HB   GLN  49          1HB       GLN  49   7.748  -9.947  -2.980
  357   2HB   GLN  49          2HB       GLN  49   6.762 -11.359  -3.307
  358   1HG   GLN  49          1HG       GLN  49   6.357 -10.700  -5.577
  359   2HG   GLN  49          2HG       GLN  49   6.864  -9.049  -5.281
  360   1HE2  GLN  49          1HE2      GLN  49   9.087  -8.608  -4.845
  361   2HE2  GLN  49          2HE2      GLN  49  10.341  -9.621  -5.479
  362    H    ASP  50           H        ASP  50   4.430 -11.435  -1.718
  363    HA   ASP  50           HA       ASP  50   2.848 -12.356  -3.834
  364   1HB   ASP  50          1HB       ASP  50   3.383 -13.902  -2.085
  365   2HB   ASP  50          2HB       ASP  50   2.874 -12.792  -0.829
  366    H    MET  51           H        MET  51   2.456 -10.034  -1.137
  367    HA   MET  51           HA       MET  51  -0.342  -9.864  -1.316
  368   1HB   MET  51          1HB       MET  51   1.823  -8.009  -0.187
  369   2HB   MET  51          2HB       MET  51   0.112  -7.689   0.016
  370   1HG   MET  51          1HG       MET  51  -0.031 -10.111   1.001
  371   2HG   MET  51          2HG       MET  51   1.716 -10.033   1.111
  372   1HE   MET  51          1HE       MET  51  -0.366  -9.534   4.461
  373   2HE   MET  51          2HE       MET  51   0.162 -10.715   3.239
  374   3HE   MET  51          3HE       MET  51   1.355  -9.966   4.327
  375    H    ILE  52           H        ILE  52   2.319  -7.623  -2.392
  376    HA   ILE  52           HA       ILE  52   0.734  -5.753  -3.619
  377    HB   ILE  52           HB       ILE  52   2.768  -5.298  -5.010
  378   1HG1  ILE  52          1HG1      ILE  52   4.794  -6.689  -3.871
  379   2HG1  ILE  52          2HG1      ILE  52   3.550  -7.924  -3.863
  380   1HG2  ILE  52          1HG2      ILE  52   3.134  -5.582  -2.015
  381   2HG2  ILE  52          2HG2      ILE  52   4.134  -4.579  -3.093
  382   3HG2  ILE  52          3HG2      ILE  52   2.408  -4.202  -2.873
  383   1HD1  ILE  52          1HD1      ILE  52   3.984  -6.292  -6.374
  384   2HD1  ILE  52          2HD1      ILE  52   5.090  -7.632  -5.990
  385   3HD1  ILE  52          3HD1      ILE  52   3.351  -7.947  -6.206
  386    H    ASN  53           H        ASN  53   1.879  -8.938  -4.817
  387    HA   ASN  53           HA       ASN  53   1.082  -8.554  -7.440
  388   1HB   ASN  53          1HB       ASN  53   2.442 -10.510  -6.147
  389   2HB   ASN  53          2HB       ASN  53   0.872 -11.289  -6.168
  390   1HD2  ASN  53          1HD2      ASN  53   1.276 -12.862  -7.604
  391   2HD2  ASN  53          2HD2      ASN  53   1.657 -12.621  -9.277
  392    H    GLU  54           H        GLU  54  -0.600  -9.516  -4.438
  393    HA   GLU  54           HA       GLU  54  -2.877 -10.559  -5.711
  394   1HB   GLU  54          1HB       GLU  54  -2.359 -11.222  -3.438
  395   2HB   GLU  54          2HB       GLU  54  -2.356  -9.560  -2.882
  396   1HG   GLU  54          1HG       GLU  54  -4.484 -10.344  -2.206
  397   2HG   GLU  54          2HG       GLU  54  -4.837  -9.471  -3.683
  398    H    VAL  55           H        VAL  55  -2.307  -7.446  -3.905
  399    HA   VAL  55           HA       VAL  55  -4.761  -6.316  -4.558
  400    HB   VAL  55           HB       VAL  55  -3.792  -4.258  -3.810
  401   1HG1  VAL  55          1HG1      VAL  55  -4.123  -5.299  -1.837
  402   2HG1  VAL  55          2HG1      VAL  55  -3.295  -6.784  -2.366
  403   3HG1  VAL  55          3HG1      VAL  55  -2.346  -5.396  -1.782
  404   1HG2  VAL  55          1HG2      VAL  55  -1.748  -4.093  -4.998
  405   2HG2  VAL  55          2HG2      VAL  55  -1.297  -4.182  -3.278
  406   3HG2  VAL  55          3HG2      VAL  55  -1.135  -5.619  -4.316
  407    H    ASP  56           H        ASP  56  -1.559  -6.231  -6.222
  408    HA   ASP  56           HA       ASP  56  -2.100  -4.370  -8.099
  409   1HB   ASP  56          1HB       ASP  56   0.086  -5.489  -7.847
  410   2HB   ASP  56          2HB       ASP  56  -0.593  -7.011  -8.389
  411    H    ALA  57           H        ALA  57  -3.978  -4.285  -9.358
  412    HA   ALA  57           HA       ALA  57  -4.997  -6.826 -10.413
  413   1HB   ALA  57          1HB       ALA  57  -6.662  -4.400 -10.664
  414   2HB   ALA  57          2HB       ALA  57  -7.080  -6.016 -10.045
  415   3HB   ALA  57          3HB       ALA  57  -6.270  -4.838  -8.984
  416    H    ASP  58           H        ASP  58  -4.222  -3.391 -11.252
  417    HA   ASP  58           HA       ASP  58  -4.866  -3.286 -13.808
  418   1HB   ASP  58          1HB       ASP  58  -2.546  -2.030 -14.079
  419   2HB   ASP  58          2HB       ASP  58  -3.792  -1.364 -13.043
  420    H    GLY  59           H        GLY  59  -2.277  -5.226 -12.311
  421   1HA   GLY  59          1HA       GLY  59  -1.418  -7.170 -13.256
  422   2HA   GLY  59          2HA       GLY  59  -1.842  -6.602 -14.859
  423    H    ASP  60           H        ASP  60   0.608  -6.687 -12.358
  424    HA   ASP  60           HA       ASP  60   2.634  -6.110 -14.101
  425   1HB   ASP  60          1HB       ASP  60   3.294  -3.849 -12.834
  426   2HB   ASP  60          2HB       ASP  60   2.290  -3.824 -14.270
  427    H    GLY  61           H        GLY  61   1.828  -4.913 -10.744
  428   1HA   GLY  61          1HA       GLY  61   2.464  -6.596  -8.965
  429   2HA   GLY  61          2HA       GLY  61   4.052  -6.557  -9.706
  430    H    THR  62           H        THR  62   1.694  -3.857  -9.168
  431    HA   THR  62           HA       THR  62   3.507  -2.727  -7.175
  432    HB   THR  62           HB       THR  62   2.506  -1.143  -9.591
  433    HG1  THR  62           HG1      THR  62   4.866  -1.500 -10.172
  434   1HG2  THR  62          1HG2      THR  62   4.779   0.067  -8.838
  435   2HG2  THR  62          2HG2      THR  62   3.241   0.464  -8.034
  436   3HG2  THR  62          3HG2      THR  62   4.383  -0.664  -7.264
  437    H    ILE  63           H        ILE  63   2.437  -0.597  -6.281
  438    HA   ILE  63           HA       ILE  63  -0.381  -1.295  -5.853
  439    HB   ILE  63           HB       ILE  63   1.480   0.247  -4.044
  440   1HG1  ILE  63          1HG1      ILE  63   0.681  -2.675  -4.010
  441   2HG1  ILE  63          2HG1      ILE  63   2.293  -2.018  -4.210
  442   1HG2  ILE  63          1HG2      ILE  63  -0.659   0.943  -3.480
  443   2HG2  ILE  63          2HG2      ILE  63  -1.385  -0.643  -3.836
  444   3HG2  ILE  63          3HG2      ILE  63  -0.388  -0.427  -2.377
  445   1HD1  ILE  63          1HD1      ILE  63   1.490  -0.810  -1.844
  446   2HD1  ILE  63          2HD1      ILE  63   0.714  -2.408  -1.739
  447   3HD1  ILE  63          3HD1      ILE  63   2.476  -2.288  -1.954
  448    H    ASP  64           H        ASP  64  -1.715   0.764  -5.183
  449    HA   ASP  64           HA       ASP  64  -0.814   3.171  -6.368
  450   1HB   ASP  64          1HB       ASP  64  -1.710   1.632  -8.293
  451   2HB   ASP  64          2HB       ASP  64  -3.296   1.928  -7.609
  452    H    PHE  65           H        PHE  65  -2.857   4.804  -6.338
  453    HA   PHE  65           HA       PHE  65  -3.817   4.908  -3.764
  454   1HB   PHE  65          1HB       PHE  65  -3.869   6.389  -6.180
  455   2HB   PHE  65          2HB       PHE  65  -5.566   6.062  -5.890
  456    HD1  PHE  65           HD1      PHE  65  -2.982   6.616  -3.291
  457    HD2  PHE  65           HD2      PHE  65  -6.326   8.223  -5.350
  458    HE1  PHE  65           HE1      PHE  65  -3.070   8.522  -1.660
  459    HE2  PHE  65           HE2      PHE  65  -6.415  10.129  -3.720
  460    HZ   PHE  65           HZ       PHE  65  -4.786  10.256  -1.894
  461    HA   PRO  66           HA       PRO  66  -7.826   2.988  -5.403
  462   1HB   PRO  66          1HB       PRO  66  -7.899   1.881  -7.900
  463   2HB   PRO  66          2HB       PRO  66  -8.434   3.514  -7.560
  464   1HG   PRO  66          1HG       PRO  66  -5.948   2.616  -8.883
  465   2HG   PRO  66          2HG       PRO  66  -6.696   4.201  -8.912
  466   1HD   PRO  66          1HD       PRO  66  -4.402   3.413  -7.381
  467   2HD   PRO  66          2HD       PRO  66  -5.219   4.962  -7.322
  468    H    GLU  67           H        GLU  67  -4.870   1.449  -6.368
  469    HA   GLU  67           HA       GLU  67  -5.884  -1.148  -6.036
  470   1HB   GLU  67          1HB       GLU  67  -3.125   0.067  -6.280
  471   2HB   GLU  67          2HB       GLU  67  -3.284  -1.622  -5.840
  472   1HG   GLU  67          1HG       GLU  67  -4.598  -2.077  -7.881
  473   2HG   GLU  67          2HG       GLU  67  -4.600  -0.376  -8.299
  474    H    PHE  68           H        PHE  68  -3.584   0.826  -4.013
  475    HA   PHE  68           HA       PHE  68  -3.463  -0.910  -1.886
  476   1HB   PHE  68          1HB       PHE  68  -2.365   1.479  -2.596
  477   2HB   PHE  68          2HB       PHE  68  -3.595   2.109  -1.519
  478    HD1  PHE  68           HD1      PHE  68  -2.236   2.940   0.216
  479    HD2  PHE  68           HD2      PHE  68  -1.754  -1.075  -1.072
  480    HE1  PHE  68           HE1      PHE  68  -0.745   2.487   2.184
  481    HE2  PHE  68           HE2      PHE  68  -0.263  -1.527   0.896
  482    HZ   PHE  68           HZ       PHE  68   0.224   0.259   2.500
  483    H    LEU  69           H        LEU  69  -5.956   1.503  -2.754
  484    HA   LEU  69           HA       LEU  69  -7.241   1.866  -0.399
  485   1HB   LEU  69          1HB       LEU  69  -7.701   2.460  -3.014
  486   2HB   LEU  69          2HB       LEU  69  -9.000   1.326  -2.701
  487    HG   LEU  69           HG       LEU  69  -8.488   3.715  -0.922
  488   1HD1  LEU  69          1HD1      LEU  69  -9.324   5.129  -2.411
  489   2HD1  LEU  69          2HD1      LEU  69  -9.273   3.830  -3.626
  490   3HD1  LEU  69          3HD1      LEU  69 -10.748   4.092  -2.665
  491   1HD2  LEU  69          1HD2      LEU  69 -11.143   3.228  -0.798
  492   2HD2  LEU  69          2HD2      LEU  69 -10.533   1.581  -1.090
  493   3HD2  LEU  69          3HD2      LEU  69  -9.945   2.514   0.308
  494    H    THR  70           H        THR  70  -7.667  -0.919  -2.682
  495    HA   THR  70           HA       THR  70  -9.517  -2.245  -0.994
  496    HB   THR  70           HB       THR  70  -7.772  -3.061  -3.369
  497    HG1  THR  70           HG1      THR  70 -10.086  -3.015  -4.215
  498   1HG2  THR  70          1HG2      THR  70  -8.989  -5.117  -3.517
  499   2HG2  THR  70          2HG2      THR  70  -8.535  -5.022  -1.798
  500   3HG2  THR  70          3HG2      THR  70 -10.185  -4.590  -2.308
  501    H    MET  71           H        MET  71  -5.949  -2.444  -1.423
  502    HA   MET  71           HA       MET  71  -5.490  -4.670   0.049
  503   1HB   MET  71          1HB       MET  71  -3.718  -3.459  -1.159
  504   2HB   MET  71          2HB       MET  71  -3.936  -2.036  -0.160
  505   1HG   MET  71          1HG       MET  71  -1.928  -3.449   0.482
  506   2HG   MET  71          2HG       MET  71  -3.044  -3.160   1.801
  507   1HE   MET  71          1HE       MET  71  -0.849  -6.043   0.937
  508   2HE   MET  71          2HE       MET  71  -1.194  -5.019   2.351
  509   3HE   MET  71          3HE       MET  71  -1.657  -6.737   2.363
  510    H    MET  72           H        MET  72  -5.413  -1.252   1.314
  511    HA   MET  72           HA       MET  72  -5.081  -1.945   3.942
  512   1HB   MET  72          1HB       MET  72  -6.293   0.423   2.468
  513   2HB   MET  72          2HB       MET  72  -6.387   0.389   4.218
  514   1HG   MET  72          1HG       MET  72  -3.689  -0.276   3.158
  515   2HG   MET  72          2HG       MET  72  -4.224   1.343   2.753
  516   1HE   MET  72          1HE       MET  72  -3.441  -0.372   6.934
  517   2HE   MET  72          2HE       MET  72  -4.607  -1.139   5.829
  518   3HE   MET  72          3HE       MET  72  -2.890  -1.030   5.375
  519    H    ALA  73           H        ALA  73  -8.190  -0.990   2.297
  520    HA   ALA  73           HA       ALA  73  -9.909  -1.375   4.348
  521   1HB   ALA  73          1HB       ALA  73 -11.031  -2.484   1.919
  522   2HB   ALA  73          2HB       ALA  73 -11.354  -0.913   2.691
  523   3HB   ALA  73          3HB       ALA  73 -10.015  -1.075   1.530
  524    H    ARG  74           H        ARG  74  -8.874  -3.917   1.960
  525    HA   ARG  74           HA       ARG  74 -10.239  -5.952   3.204
  526   1HB   ARG  74          1HB       ARG  74  -7.778  -5.883   1.412
  527   2HB   ARG  74          2HB       ARG  74  -8.398  -7.409   2.011
  528   1HG   ARG  74          1HG       ARG  74 -10.504  -5.648   0.885
  529   2HG   ARG  74          2HG       ARG  74  -9.279  -6.098  -0.284
  530   1HD   ARG  74          1HD       ARG  74 -10.394  -8.273   1.489
  531   2HD   ARG  74          2HD       ARG  74 -11.414  -7.669   0.199
  532    HE   ARG  74           HE       ARG  74  -8.951  -8.117  -1.034
  533   1HH1  ARG  74          2HH2      ARG  74 -11.209 -10.081   0.817
  534   2HH1  ARG  74          1HH2      ARG  74 -10.781 -11.556   0.016
  535   1HH2  ARG  74          2HH1      ARG  74  -8.386 -10.063  -2.091
  536   2HH2  ARG  74          1HH1      ARG  74  -9.164 -11.546  -1.649
  537    H    LYS  75           H        LYS  75  -7.076  -4.450   3.855
  538    HA   LYS  75           HA       LYS  75  -5.955  -6.487   5.393
  539   1HB   LYS  75          1HB       LYS  75  -4.865  -4.394   4.404
  540   2HB   LYS  75          2HB       LYS  75  -5.497  -3.525   5.788
  541   1HG   LYS  75          1HG       LYS  75  -3.229  -4.240   6.316
  542   2HG   LYS  75          2HG       LYS  75  -4.335  -5.162   7.314
  543   1HD   LYS  75          1HD       LYS  75  -3.761  -6.433   4.691
  544   2HD   LYS  75          2HD       LYS  75  -2.345  -6.249   5.706
  545   1HE   LYS  75          1HE       LYS  75  -4.861  -7.318   6.985
  546   2HE   LYS  75          2HE       LYS  75  -3.969  -8.386   5.920
  547   1HZ   LYS  75          1HZ       LYS  75  -3.393  -7.988   8.485
  548   2HZ   LYS  75          2HZ       LYS  75  -2.323  -8.547   7.385
  549   3HZ   LYS  75          3HZ       LYS  75  -2.332  -6.963   7.782
  550    H    MET  76           H        MET  76  -7.723  -3.494   6.464
  551    HA   MET  76           HA       MET  76  -7.795  -4.241   9.120
  552   1HB   MET  76          1HB       MET  76  -9.593  -2.492   9.269
  553   2HB   MET  76          2HB       MET  76  -8.254  -1.939   8.283
  554   1HG   MET  76          1HG       MET  76  -9.461  -2.221   6.250
  555   2HG   MET  76          2HG       MET  76 -10.604  -3.339   6.968
  556   1HE   MET  76          1HE       MET  76 -13.448  -1.275   8.010
  557   2HE   MET  76          2HE       MET  76 -12.949  -2.365   6.694
  558   3HE   MET  76          3HE       MET  76 -12.559  -2.772   8.382
  559    H    LYS  77           H        LYS  77  -9.701  -5.300   6.357
  560    HA   LYS  77           HA       LYS  77 -12.017  -6.095   7.701
  561   1HB   LYS  77          1HB       LYS  77 -11.438  -5.874   5.153
  562   2HB   LYS  77          2HB       LYS  77 -10.942  -7.548   5.297
  563   1HG   LYS  77          1HG       LYS  77 -13.136  -8.070   4.980
  564   2HG   LYS  77          2HG       LYS  77 -13.378  -7.562   6.639
  565   1HD   LYS  77          1HD       LYS  77 -14.490  -5.664   6.022
  566   2HD   LYS  77          2HD       LYS  77 -13.318  -5.272   4.779
  567   1HE   LYS  77          1HE       LYS  77 -15.105  -5.754   3.392
  568   2HE   LYS  77          2HE       LYS  77 -14.472  -7.381   3.545
  569   1HZ   LYS  77          1HZ       LYS  77 -16.835  -7.247   4.002
  570   2HZ   LYS  77          2HZ       LYS  77 -16.018  -7.784   5.311
  571   3HZ   LYS  77          3HZ       LYS  77 -16.568  -6.246   5.265
  572    H    ASP  78           H        ASP  78  -9.134  -8.066   6.681
  573    HA   ASP  78           HA       ASP  78  -9.815 -10.407   7.735
  574   1HB   ASP  78          1HB       ASP  78  -7.615  -9.636   6.579
  575   2HB   ASP  78          2HB       ASP  78  -7.044  -9.224   8.184
  576    H    THR  79           H        THR  79  -7.835  -7.881   9.484
  577    HA   THR  79           HA       THR  79  -7.983  -9.133  11.988
  578    HB   THR  79           HB       THR  79  -6.376  -7.297  11.053
  579    HG1  THR  79           HG1      THR  79  -5.988  -6.944  13.252
  580   1HG2  THR  79          1HG2      THR  79  -8.177  -5.612  10.497
  581   2HG2  THR  79          2HG2      THR  79  -8.612  -5.557  12.222
  582   3HG2  THR  79          3HG2      THR  79  -7.011  -4.990  11.689
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1 -19.372   4.714   0.871
    2    HA   ALA   1           HA       ALA   1 -21.698   6.259   1.225
    3   1HB   ALA   1          1HB       ALA   1 -20.681   4.819   3.586
    4   2HB   ALA   1          2HB       ALA   1 -22.200   4.604   2.683
    5   3HB   ALA   1          3HB       ALA   1 -20.705   3.827   2.108
    6    H    ASP   2           H        ASP   2 -18.574   7.255   1.490
    7    HA   ASP   2           HA       ASP   2 -17.537   8.855   2.521
    8   1HB   ASP   2          1HB       ASP   2 -20.351   9.787   3.262
    9   2HB   ASP   2          2HB       ASP   2 -18.911  10.769   3.441
   10    H    GLN   3           H        GLN   3 -18.596   6.353   4.041
   11    HA   GLN   3           HA       GLN   3 -18.622   7.458   6.728
   12   1HB   GLN   3          1HB       GLN   3 -19.988   5.261   5.435
   13   2HB   GLN   3          2HB       GLN   3 -19.024   4.617   6.749
   14   1HG   GLN   3          1HG       GLN   3 -20.659   7.106   7.260
   15   2HG   GLN   3          2HG       GLN   3 -21.494   5.568   7.173
   16   1HE2  GLN   3          1HE2      GLN   3 -21.319   4.101   8.773
   17   2HE2  GLN   3          2HE2      GLN   3 -20.453   4.341  10.254
   18    H    LEU   4           H        LEU   4 -16.881   5.246   4.510
   19    HA   LEU   4           HA       LEU   4 -14.712   5.179   6.486
   20   1HB   LEU   4          1HB       LEU   4 -15.401   3.025   6.683
   21   2HB   LEU   4          2HB       LEU   4 -16.063   2.954   5.062
   22    HG   LEU   4           HG       LEU   4 -14.133   1.462   5.366
   23   1HD1  LEU   4          1HD1      LEU   4 -12.994   3.426   3.479
   24   2HD1  LEU   4          2HD1      LEU   4 -13.462   1.726   3.237
   25   3HD1  LEU   4          3HD1      LEU   4 -14.701   3.004   3.205
   26   1HD2  LEU   4          1HD2      LEU   4 -12.670   4.027   6.002
   27   2HD2  LEU   4          2HD2      LEU   4 -12.796   2.545   6.980
   28   3HD2  LEU   4          3HD2      LEU   4 -11.838   2.542   5.480
   29    H    THR   5           H        THR   5 -15.747   5.010   3.037
   30    HA   THR   5           HA       THR   5 -13.239   5.081   1.871
   31    HB   THR   5           HB       THR   5 -14.655   6.265  -0.003
   32    HG1  THR   5           HG1      THR   5 -16.952   6.186   0.608
   33   1HG2  THR   5          1HG2      THR   5 -15.583   4.215  -0.657
   34   2HG2  THR   5          2HG2      THR   5 -14.408   3.630   0.545
   35   3HG2  THR   5          3HG2      THR   5 -16.120   3.821   0.994
   36    H    GLU   6           H        GLU   6 -15.285   7.805   3.056
   37    HA   GLU   6           HA       GLU   6 -13.633   9.798   2.107
   38   1HB   GLU   6          1HB       GLU   6 -15.995  10.009   3.053
   39   2HB   GLU   6          2HB       GLU   6 -15.298   9.908   4.658
   40   1HG   GLU   6          1HG       GLU   6 -15.342  12.224   4.362
   41   2HG   GLU   6          2HG       GLU   6 -13.720  11.865   3.805
   42    H    GLU   7           H        GLU   7 -13.612   7.958   5.211
   43    HA   GLU   7           HA       GLU   7 -11.532   9.501   6.308
   44   1HB   GLU   7          1HB       GLU   7 -11.996   6.679   7.226
   45   2HB   GLU   7          2HB       GLU   7 -11.749   8.131   8.176
   46   1HG   GLU   7          1HG       GLU   7 -14.105   8.811   7.008
   47   2HG   GLU   7          2HG       GLU   7 -14.279   7.068   6.948
   48    H    GLN   8           H        GLN   8 -11.635   6.087   5.039
   49    HA   GLN   8           HA       GLN   8  -8.991   5.560   5.225
   50   1HB   GLN   8          1HB       GLN   8  -9.512   3.659   4.062
   51   2HB   GLN   8          2HB       GLN   8 -11.158   4.222   4.274
   52   1HG   GLN   8          1HG       GLN   8 -11.018   5.406   2.057
   53   2HG   GLN   8          2HG       GLN   8  -9.393   4.786   1.844
   54   1HE2  GLN   8          1HE2      GLN   8 -12.077   4.392   0.481
   55   2HE2  GLN   8          2HE2      GLN   8 -12.261   2.677   0.319
   56    H    ILE   9           H        ILE   9 -10.740   7.384   2.669
   57    HA   ILE   9           HA       ILE   9  -8.488   7.582   0.960
   58    HB   ILE   9           HB       ILE   9 -11.132   9.014   1.128
   59   1HG1  ILE   9          1HG1      ILE   9 -10.980   6.567   0.443
   60   2HG1  ILE   9          2HG1      ILE   9 -11.809   7.651  -0.657
   61   1HG2  ILE   9          1HG2      ILE   9  -8.768   9.559  -0.632
   62   2HG2  ILE   9          2HG2      ILE   9 -10.413   9.731  -1.288
   63   3HG2  ILE   9          3HG2      ILE   9  -9.915  10.689   0.127
   64   1HD1  ILE   9          1HD1      ILE   9 -10.392   7.038  -2.308
   65   2HD1  ILE   9          2HD1      ILE   9  -9.032   7.709  -1.375
   66   3HD1  ILE   9          3HD1      ILE   9  -9.498   6.003  -1.169
   67    H    ALA  10           H        ALA  10  -9.673   9.327   3.801
   68    HA   ALA  10           HA       ALA  10  -8.196  11.693   3.350
   69   1HB   ALA  10          1HB       ALA  10  -9.216  10.468   5.944
   70   2HB   ALA  10          2HB       ALA  10  -8.763  12.169   5.682
   71   3HB   ALA  10          3HB       ALA  10 -10.178  11.486   4.846
   72    H    GLU  11           H        GLU  11  -7.570   8.602   5.105
   73    HA   GLU  11           HA       GLU  11  -5.098   9.488   6.104
   74   1HB   GLU  11          1HB       GLU  11  -6.769   7.404   6.679
   75   2HB   GLU  11          2HB       GLU  11  -5.558   6.557   5.738
   76   1HG   GLU  11          1HG       GLU  11  -3.788   7.713   7.231
   77   2HG   GLU  11          2HG       GLU  11  -5.116   8.206   8.263
   78    H    PHE  12           H        PHE  12  -6.105   7.423   3.306
   79    HA   PHE  12           HA       PHE  12  -3.571   6.738   2.442
   80   1HB   PHE  12          1HB       PHE  12  -6.274   7.279   1.098
   81   2HB   PHE  12          2HB       PHE  12  -4.916   6.692   0.159
   82    HD1  PHE  12           HD1      PHE  12  -3.729   4.799   2.173
   83    HD2  PHE  12           HD2      PHE  12  -7.749   5.461   0.987
   84    HE1  PHE  12           HE1      PHE  12  -4.306   2.441   2.812
   85    HE2  PHE  12           HE2      PHE  12  -8.326   3.103   1.626
   86    HZ   PHE  12           HZ       PHE  12  -6.598   1.622   2.531
   87    H    LYS  13           H        LYS  13  -5.373   9.780   2.166
   88    HA   LYS  13           HA       LYS  13  -3.995  10.848  -0.020
   89   1HB   LYS  13          1HB       LYS  13  -6.158  11.592   1.352
   90   2HB   LYS  13          2HB       LYS  13  -4.996  12.615   2.174
   91   1HG   LYS  13          1HG       LYS  13  -5.298  14.066   0.442
   92   2HG   LYS  13          2HG       LYS  13  -4.268  12.986  -0.476
   93   1HD   LYS  13          1HD       LYS  13  -6.036  12.802  -1.906
   94   2HD   LYS  13          2HD       LYS  13  -6.713  11.712  -0.713
   95   1HE   LYS  13          1HE       LYS  13  -8.449  13.293  -1.072
   96   2HE   LYS  13          2HE       LYS  13  -7.710  13.828   0.424
   97   1HZ   LYS  13          1HZ       LYS  13  -7.954  15.673  -1.006
   98   2HZ   LYS  13          2HZ       LYS  13  -6.355  15.348  -0.934
   99   3HZ   LYS  13          3HZ       LYS  13  -7.217  14.923  -2.255
  100    H    GLU  14           H        GLU  14  -3.510  11.434   3.538
  101    HA   GLU  14           HA       GLU  14  -1.077  12.755   3.055
  102   1HB   GLU  14          1HB       GLU  14  -0.840  12.658   5.550
  103   2HB   GLU  14          2HB       GLU  14  -2.390  13.290   5.031
  104   1HG   GLU  14          1HG       GLU  14  -3.540  11.264   5.573
  105   2HG   GLU  14          2HG       GLU  14  -2.059  10.327   5.614
  106    H    ALA  15           H        ALA  15  -2.046   9.394   3.714
  107    HA   ALA  15           HA       ALA  15   0.507   8.457   4.456
  108   1HB   ALA  15          1HB       ALA  15  -1.692   6.854   3.114
  109   2HB   ALA  15          2HB       ALA  15  -0.491   6.304   4.308
  110   3HB   ALA  15          3HB       ALA  15  -1.808   7.393   4.806
  111    H    PHE  16           H        PHE  16  -1.342   8.279   1.328
  112    HA   PHE  16           HA       PHE  16   0.348   7.020  -0.265
  113   1HB   PHE  16          1HB       PHE  16  -1.732   8.074  -1.048
  114   2HB   PHE  16          2HB       PHE  16  -1.154   9.672  -0.617
  115    HD1  PHE  16           HD1      PHE  16  -0.133   6.825  -2.816
  116    HD2  PHE  16           HD2      PHE  16  -0.450  11.029  -2.336
  117    HE1  PHE  16           HE1      PHE  16   0.701   7.156  -5.160
  118    HE2  PHE  16           HE2      PHE  16   0.385  11.360  -4.680
  119    HZ   PHE  16           HZ       PHE  16   0.950   9.419  -6.064
  120    H    SER  17           H        SER  17   0.903  10.245   1.153
  121    HA   SER  17           HA       SER  17   2.939  11.036  -0.535
  122   1HB   SER  17          1HB       SER  17   1.668  11.995   1.812
  123   2HB   SER  17          2HB       SER  17   3.370  11.912   2.221
  124    HG   SER  17           HG       SER  17   3.645  13.695   1.085
  125    H    LEU  18           H        LEU  18   3.058   9.369   2.697
  126    HA   LEU  18           HA       LEU  18   5.871   9.041   2.597
  127   1HB   LEU  18          1HB       LEU  18   3.698   7.836   4.308
  128   2HB   LEU  18          2HB       LEU  18   5.398   7.466   4.517
  129    HG   LEU  18           HG       LEU  18   4.740  10.353   4.484
  130   1HD1  LEU  18          1HD1      LEU  18   3.621   8.483   6.563
  131   2HD1  LEU  18          2HD1      LEU  18   4.051  10.164   6.959
  132   3HD1  LEU  18          3HD1      LEU  18   2.828   9.828   5.710
  133   1HD2  LEU  18          1HD2      LEU  18   6.706  10.480   5.510
  134   2HD2  LEU  18          2HD2      LEU  18   6.186   9.351   6.784
  135   3HD2  LEU  18          3HD2      LEU  18   6.877   8.725   5.268
  136    H    PHE  19           H        PHE  19   3.050   6.828   2.044
  137    HA   PHE  19           HA       PHE  19   4.508   4.566   1.470
  138   1HB   PHE  19          1HB       PHE  19   1.831   5.781   0.665
  139   2HB   PHE  19          2HB       PHE  19   2.318   4.287  -0.111
  140    HD1  PHE  19           HD1      PHE  19   2.713   2.249   1.297
  141    HD2  PHE  19           HD2      PHE  19   1.001   5.791   2.887
  142    HE1  PHE  19           HE1      PHE  19   1.836   0.946   3.255
  143    HE2  PHE  19           HE2      PHE  19   0.124   4.489   4.845
  144    HZ   PHE  19           HZ       PHE  19   0.552   2.082   5.006
  145    H    ASP  20           H        ASP  20   3.702   7.391  -0.584
  146    HA   ASP  20           HA       ASP  20   4.881   6.041  -2.848
  147   1HB   ASP  20          1HB       ASP  20   2.724   7.481  -2.919
  148   2HB   ASP  20          2HB       ASP  20   3.768   8.876  -2.729
  149    H    LYS  21           H        LYS  21   6.657   6.612  -0.658
  150    HA   LYS  21           HA       LYS  21   7.914   8.953  -0.452
  151   1HB   LYS  21          1HB       LYS  21  10.050   7.562  -0.190
  152   2HB   LYS  21          2HB       LYS  21   8.703   7.197   0.869
  153   1HG   LYS  21          1HG       LYS  21   8.082   5.508  -1.164
  154   2HG   LYS  21          2HG       LYS  21   9.814   5.592  -1.417
  155   1HD   LYS  21          1HD       LYS  21   9.663   3.810   0.099
  156   2HD   LYS  21          2HD       LYS  21   9.974   5.152   1.182
  157   1HE   LYS  21          1HE       LYS  21   7.090   4.745   0.584
  158   2HE   LYS  21          2HE       LYS  21   7.838   3.387   1.400
  159   1HZ   LYS  21          1HZ       LYS  21   7.043   4.954   2.984
  160   2HZ   LYS  21          2HZ       LYS  21   8.674   4.955   3.050
  161   3HZ   LYS  21          3HZ       LYS  21   7.887   6.180   2.311
  162    H    ASP  22           H        ASP  22   8.323   6.605  -3.168
  163    HA   ASP  22           HA       ASP  22  10.343   7.783  -4.483
  164   1HB   ASP  22          1HB       ASP  22   7.831   6.369  -5.401
  165   2HB   ASP  22          2HB       ASP  22   8.894   7.056  -6.613
  166    H    GLY  23           H        GLY  23   6.779   8.473  -4.828
  167   1HA   GLY  23          1HA       GLY  23   5.792  10.530  -5.111
  168   2HA   GLY  23          2HA       GLY  23   7.354  11.263  -5.416
  169    H    ASP  24           H        ASP  24   5.966   8.324  -6.993
  170    HA   ASP  24           HA       ASP  24   6.149   9.804  -9.495
  171   1HB   ASP  24          1HB       ASP  24   6.726   7.796 -10.584
  172   2HB   ASP  24          2HB       ASP  24   7.549   7.645  -9.045
  173    H    GLY  25           H        GLY  25   4.216   7.640  -7.383
  174   1HA   GLY  25          1HA       GLY  25   1.781   8.286  -7.521
  175   2HA   GLY  25          2HA       GLY  25   1.918   7.894  -9.223
  176    H    THR  26           H        THR  26   4.092   5.816  -7.841
  177    HA   THR  26           HA       THR  26   2.032   3.780  -7.297
  178    HB   THR  26           HB       THR  26   3.686   2.195  -8.433
  179    HG1  THR  26           HG1      THR  26   5.452   3.856  -8.105
  180   1HG2  THR  26          1HG2      THR  26   2.174   2.641 -10.124
  181   2HG2  THR  26          2HG2      THR  26   2.184   4.390  -9.794
  182   3HG2  THR  26          3HG2      THR  26   3.484   3.660 -10.767
  183    H    ILE  27           H        ILE  27   2.535   2.172  -5.739
  184    HA   ILE  27           HA       ILE  27   4.605   3.103  -3.886
  185    HB   ILE  27           HB       ILE  27   1.973   1.721  -3.551
  186   1HG1  ILE  27          1HG1      ILE  27   1.726   3.438  -1.769
  187   2HG1  ILE  27          2HG1      ILE  27   3.304   4.077  -2.183
  188   1HG2  ILE  27          1HG2      ILE  27   2.808   1.521  -1.058
  189   2HG2  ILE  27          2HG2      ILE  27   3.107   0.225  -2.240
  190   3HG2  ILE  27          3HG2      ILE  27   4.401   1.379  -1.839
  191   1HD1  ILE  27          1HD1      ILE  27   1.381   3.734  -4.457
  192   2HD1  ILE  27          2HD1      ILE  27   1.017   5.021  -3.282
  193   3HD1  ILE  27          3HD1      ILE  27   2.567   5.027  -4.156
  194    H    THR  28           H        THR  28   6.282   2.102  -5.253
  195    HA   THR  28           HA       THR  28   6.381  -0.498  -6.058
  196    HB   THR  28           HB       THR  28   8.550   1.338  -4.918
  197    HG1  THR  28           HG1      THR  28   7.466   0.571  -7.536
  198   1HG2  THR  28          1HG2      THR  28   8.902  -1.370  -5.415
  199   2HG2  THR  28          2HG2      THR  28   9.206  -0.668  -7.022
  200   3HG2  THR  28          3HG2      THR  28  10.173  -0.142  -5.624
  201    H    THR  29           H        THR  29   6.911  -2.504  -5.227
  202    HA   THR  29           HA       THR  29   6.004  -3.202  -2.779
  203    HB   THR  29           HB       THR  29   7.291  -5.271  -3.142
  204    HG1  THR  29           HG1      THR  29   8.956  -5.005  -4.963
  205   1HG2  THR  29          1HG2      THR  29   6.500  -5.853  -5.266
  206   2HG2  THR  29          2HG2      THR  29   5.544  -4.374  -5.008
  207   3HG2  THR  29          3HG2      THR  29   7.027  -4.315  -5.991
  208    H    LYS  30           H        LYS  30   9.218  -1.835  -3.546
  209    HA   LYS  30           HA       LYS  30  10.363  -2.378  -1.049
  210   1HB   LYS  30          1HB       LYS  30  12.095  -0.887  -1.724
  211   2HB   LYS  30          2HB       LYS  30  11.576  -1.765  -3.149
  212   1HG   LYS  30          1HG       LYS  30  10.020   0.219  -3.667
  213   2HG   LYS  30          2HG       LYS  30  10.827   1.090  -2.379
  214   1HD   LYS  30          1HD       LYS  30  13.048   0.574  -3.583
  215   2HD   LYS  30          2HD       LYS  30  12.089  -0.001  -4.932
  216   1HE   LYS  30          1HE       LYS  30  12.471   2.255  -5.509
  217   2HE   LYS  30          2HE       LYS  30  10.872   2.318  -4.796
  218   1HZ   LYS  30          1HZ       LYS  30  13.028   2.607  -2.930
  219   2HZ   LYS  30          2HZ       LYS  30  12.904   3.821  -4.015
  220   3HZ   LYS  30          3HZ       LYS  30  11.636   3.452  -3.054
  221    H    GLU  31           H        GLU  31   8.529   0.463  -2.331
  222    HA   GLU  31           HA       GLU  31   8.811   1.980  -0.028
  223   1HB   GLU  31          1HB       GLU  31   6.540   2.027  -2.065
  224   2HB   GLU  31          2HB       GLU  31   6.931   3.316  -0.944
  225   1HG   GLU  31          1HG       GLU  31   9.138   3.631  -1.994
  226   2HG   GLU  31          2HG       GLU  31   8.885   2.241  -3.031
  227    H    LEU  32           H        LEU  32   6.624  -0.675  -0.911
  228    HA   LEU  32           HA       LEU  32   4.651  -0.184   1.020
  229   1HB   LEU  32          1HB       LEU  32   4.178  -1.588  -0.824
  230   2HB   LEU  32          2HB       LEU  32   5.540  -2.637  -0.483
  231    HG   LEU  32           HG       LEU  32   3.309  -3.606   0.075
  232   1HD1  LEU  32          1HD1      LEU  32   5.710  -3.818   1.432
  233   2HD1  LEU  32          2HD1      LEU  32   4.519  -3.573   2.732
  234   3HD1  LEU  32          3HD1      LEU  32   4.313  -4.911   1.576
  235   1HD2  LEU  32          1HD2      LEU  32   1.794  -2.513   1.269
  236   2HD2  LEU  32          2HD2      LEU  32   2.935  -2.318   2.622
  237   3HD2  LEU  32          3HD2      LEU  32   2.889  -1.110   1.315
  238    H    GLY  33           H        GLY  33   7.566  -2.348   1.041
  239   1HA   GLY  33          1HA       GLY  33   7.202  -3.128   3.752
  240   2HA   GLY  33          2HA       GLY  33   8.623  -3.366   2.754
  241    H    THR  34           H        THR  34   8.787  -0.399   2.093
  242    HA   THR  34           HA       THR  34  10.539   0.324   4.169
  243    HB   THR  34           HB       THR  34   9.195   1.908   1.917
  244    HG1  THR  34           HG1      THR  34  11.165   1.261   0.877
  245   1HG2  THR  34          1HG2      THR  34  11.902   2.618   2.999
  246   2HG2  THR  34          2HG2      THR  34  10.636   3.681   2.338
  247   3HG2  THR  34          3HG2      THR  34  10.515   3.086   4.012
  248    H    VAL  35           H        VAL  35   7.169   1.392   3.399
  249    HA   VAL  35           HA       VAL  35   6.980   3.238   5.459
  250    HB   VAL  35           HB       VAL  35   4.823   1.499   4.244
  251   1HG1  VAL  35          1HG1      VAL  35   3.749   2.508   6.023
  252   2HG1  VAL  35          2HG1      VAL  35   4.781   3.958   5.968
  253   3HG1  VAL  35          3HG1      VAL  35   3.508   3.724   4.745
  254   1HG2  VAL  35          1HG2      VAL  35   5.233   4.278   3.290
  255   2HG2  VAL  35          2HG2      VAL  35   6.489   3.104   2.830
  256   3HG2  VAL  35          3HG2      VAL  35   4.790   2.806   2.392
  257    H    MET  36           H        MET  36   6.126  -0.286   5.371
  258    HA   MET  36           HA       MET  36   5.011  -0.668   7.717
  259   1HB   MET  36          1HB       MET  36   7.332  -2.248   6.483
  260   2HB   MET  36          2HB       MET  36   6.354  -2.872   7.796
  261   1HG   MET  36          1HG       MET  36   5.079  -1.891   5.210
  262   2HG   MET  36          2HG       MET  36   5.683  -3.529   5.360
  263   1HE   MET  36          1HE       MET  36   3.028  -2.315   4.688
  264   2HE   MET  36          2HE       MET  36   1.741  -3.162   5.579
  265   3HE   MET  36          3HE       MET  36   2.225  -1.519   6.062
  266    H    ARG  37           H        ARG  37   8.617  -0.462   7.281
  267    HA   ARG  37           HA       ARG  37   9.343  -0.835   9.841
  268   1HB   ARG  37          1HB       ARG  37  10.497   1.006   7.700
  269   2HB   ARG  37          2HB       ARG  37  11.300   0.786   9.242
  270   1HG   ARG  37          1HG       ARG  37  12.235  -1.128   8.474
  271   2HG   ARG  37          2HG       ARG  37  10.640  -1.837   8.311
  272   1HD   ARG  37          1HD       ARG  37  10.882  -1.816   6.054
  273   2HD   ARG  37          2HD       ARG  37  10.932  -0.064   6.088
  274    HE   ARG  37           HE       ARG  37  13.272  -0.132   5.871
  275   1HH1  ARG  37          2HH2      ARG  37  12.064  -3.338   6.675
  276   2HH1  ARG  37          1HH2      ARG  37  13.582  -4.121   6.392
  277   1HH2  ARG  37          2HH1      ARG  37  15.276  -1.165   5.497
  278   2HH2  ARG  37          1HH1      ARG  37  15.422  -2.877   5.717
  279    H    SER  38           H        SER  38   8.379   2.275   8.240
  280    HA   SER  38           HA       SER  38   8.893   4.023  10.200
  281   1HB   SER  38          1HB       SER  38   7.635   4.192   7.832
  282   2HB   SER  38          2HB       SER  38   6.208   4.228   8.848
  283    HG   SER  38           HG       SER  38   7.963   6.241   8.320
  284    H    LEU  39           H        LEU  39   6.399   1.501  10.130
  285    HA   LEU  39           HA       LEU  39   5.072   2.612  12.458
  286   1HB   LEU  39          1HB       LEU  39   4.530   0.176  10.757
  287   2HB   LEU  39          2HB       LEU  39   3.580   0.634  12.157
  288    HG   LEU  39           HG       LEU  39   3.905   2.241   9.608
  289   1HD1  LEU  39          1HD1      LEU  39   2.494   0.363   9.201
  290   2HD1  LEU  39          2HD1      LEU  39   1.602   0.622  10.719
  291   3HD1  LEU  39          3HD1      LEU  39   1.446   1.790   9.385
  292   1HD2  LEU  39          1HD2      LEU  39   3.724   3.767  11.467
  293   2HD2  LEU  39          2HD2      LEU  39   2.184   3.742  10.575
  294   3HD2  LEU  39          3HD2      LEU  39   2.332   2.870  12.120
  295    H    GLY  40           H        GLY  40   7.363   0.055  11.505
  296   1HA   GLY  40          1HA       GLY  40   8.834  -0.298  13.607
  297   2HA   GLY  40          2HA       GLY  40   7.360  -0.994  14.251
  298    H    GLN  41           H        GLN  41   6.246  -2.344  12.078
  299    HA   GLN  41           HA       GLN  41   7.561  -4.706  12.117
  300   1HB   GLN  41          1HB       GLN  41   6.237  -5.065   9.845
  301   2HB   GLN  41          2HB       GLN  41   5.374  -4.885  11.360
  302   1HG   GLN  41          1HG       GLN  41   6.007  -2.311  10.000
  303   2HG   GLN  41          2HG       GLN  41   4.924  -3.354   9.099
  304   1HE2  GLN  41          1HE2      GLN  41   3.550  -1.418   9.578
  305   2HE2  GLN  41          2HE2      GLN  41   2.572  -1.447  11.007
  306    H    ASN  42           H        ASN  42   9.103  -5.783  10.826
  307    HA   ASN  42           HA       ASN  42  10.267  -4.147   8.718
  308   1HB   ASN  42          1HB       ASN  42  11.971  -5.961  10.469
  309   2HB   ASN  42          2HB       ASN  42  12.495  -4.624   9.463
  310   1HD2  ASN  42          1HD2      ASN  42  11.383  -2.473  10.040
  311   2HD2  ASN  42          2HD2      ASN  42  11.358  -2.046  11.718
  312    HA   PRO  43           HA       PRO  43   9.320  -8.496   7.510
  313   1HB   PRO  43          1HB       PRO  43   7.504  -8.000   5.528
  314   2HB   PRO  43          2HB       PRO  43   7.045  -8.376   7.177
  315   1HG   PRO  43          1HG       PRO  43   7.005  -5.765   5.791
  316   2HG   PRO  43          2HG       PRO  43   6.172  -6.242   7.257
  317   1HD   PRO  43          1HD       PRO  43   8.532  -4.623   7.074
  318   2HD   PRO  43          2HD       PRO  43   7.766  -5.197   8.542
  319    H    THR  44           H        THR  44   9.166  -9.395   5.026
  320    HA   THR  44           HA       THR  44  11.499  -8.080   3.802
  321    HB   THR  44           HB       THR  44  11.580 -10.519   2.721
  322    HG1  THR  44           HG1      THR  44  10.052 -11.794   3.688
  323   1HG2  THR  44          1HG2      THR  44  13.380 -10.569   4.136
  324   2HG2  THR  44          2HG2      THR  44  12.588  -9.443   5.264
  325   3HG2  THR  44          3HG2      THR  44  12.275 -11.191   5.385
  326    H    GLU  45           H        GLU  45  11.503  -7.523   1.641
  327    HA   GLU  45           HA       GLU  45   9.069  -6.801   0.588
  328   1HB   GLU  45          1HB       GLU  45  10.338  -6.286  -1.473
  329   2HB   GLU  45          2HB       GLU  45  11.201  -5.742  -0.048
  330   1HG   GLU  45          1HG       GLU  45  11.914  -8.511  -0.696
  331   2HG   GLU  45          2HG       GLU  45  12.175  -7.466  -2.078
  332    H    ALA  46           H        ALA  46  10.665  -9.888   0.650
  333    HA   ALA  46           HA       ALA  46   9.574 -10.938  -1.746
  334   1HB   ALA  46          1HB       ALA  46  10.094 -13.121  -0.228
  335   2HB   ALA  46          2HB       ALA  46  11.360 -12.204  -1.078
  336   3HB   ALA  46          3HB       ALA  46  11.058 -11.912   0.651
  337    H    GLU  47           H        GLU  47   8.725 -11.397   1.763
  338    HA   GLU  47           HA       GLU  47   6.489 -12.895   1.321
  339   1HB   GLU  47          1HB       GLU  47   7.457 -11.115   3.537
  340   2HB   GLU  47          2HB       GLU  47   5.781 -11.624   3.601
  341   1HG   GLU  47          1HG       GLU  47   7.255 -13.961   2.910
  342   2HG   GLU  47          2HG       GLU  47   8.194 -13.171   4.162
  343    H    LEU  48           H        LEU  48   6.875  -9.309   1.430
  344    HA   LEU  48           HA       LEU  48   4.097  -8.807   1.158
  345   1HB   LEU  48          1HB       LEU  48   6.597  -7.155   0.931
  346   2HB   LEU  48          2HB       LEU  48   5.031  -6.488   0.513
  347    HG   LEU  48           HG       LEU  48   5.698  -5.901   2.792
  348   1HD1  LEU  48          1HD1      LEU  48   3.534  -5.822   3.260
  349   2HD1  LEU  48          2HD1      LEU  48   3.220  -7.038   1.999
  350   3HD1  LEU  48          3HD1      LEU  48   3.537  -7.553   3.673
  351   1HD2  LEU  48          1HD2      LEU  48   7.087  -7.771   3.383
  352   2HD2  LEU  48          2HD2      LEU  48   5.757  -7.652   4.559
  353   3HD2  LEU  48          3HD2      LEU  48   5.707  -8.890   3.282
  354    H    GLN  49           H        GLN  49   6.709  -9.668  -1.023
  355    HA   GLN  49           HA       GLN  49   5.895  -8.510  -3.336
  356   1HB   GLN  49          1HB       GLN  49   7.949  -9.998  -2.850
  357   2HB   GLN  49          2HB       GLN  49   6.911 -11.374  -3.167
  358   1HG   GLN  49          1HG       GLN  49   6.454 -10.593  -5.444
  359   2HG   GLN  49          2HG       GLN  49   7.274  -9.074  -5.142
  360   1HE2  GLN  49          1HE2      GLN  49   9.408  -8.906  -5.392
  361   2HE2  GLN  49          2HE2      GLN  49  10.483 -10.193  -5.824
  362    H    ASP  50           H        ASP  50   4.573 -11.384  -1.652
  363    HA   ASP  50           HA       ASP  50   2.971 -12.210  -3.788
  364   1HB   ASP  50          1HB       ASP  50   3.636 -13.584  -1.760
  365   2HB   ASP  50          2HB       ASP  50   2.535 -12.623  -0.793
  366    H    MET  51           H        MET  51   2.668  -9.866  -1.110
  367    HA   MET  51           HA       MET  51  -0.123  -9.595  -1.274
  368   1HB   MET  51          1HB       MET  51   2.092  -7.763  -0.198
  369   2HB   MET  51          2HB       MET  51   0.385  -7.460   0.063
  370   1HG   MET  51          1HG       MET  51   1.898  -9.959   0.969
  371   2HG   MET  51          2HG       MET  51   1.404  -8.637   2.009
  372   1HE   MET  51          1HE       MET  51   1.037 -11.775   1.023
  373   2HE   MET  51          2HE       MET  51  -0.054 -12.024   2.407
  374   3HE   MET  51          3HE       MET  51  -0.654 -12.256   0.748
  375    H    ILE  52           H        ILE  52   2.602  -7.436  -2.361
  376    HA   ILE  52           HA       ILE  52   1.093  -5.526  -3.600
  377    HB   ILE  52           HB       ILE  52   3.123  -5.169  -5.019
  378   1HG1  ILE  52          1HG1      ILE  52   5.132  -6.601  -4.025
  379   2HG1  ILE  52          2HG1      ILE  52   3.869  -7.790  -3.781
  380   1HG2  ILE  52          1HG2      ILE  52   4.017  -3.987  -3.342
  381   2HG2  ILE  52          2HG2      ILE  52   2.665  -4.624  -2.375
  382   3HG2  ILE  52          3HG2      ILE  52   4.253  -5.425  -2.319
  383   1HD1  ILE  52          1HD1      ILE  52   4.021  -8.351  -5.967
  384   2HD1  ILE  52          2HD1      ILE  52   3.452  -6.720  -6.397
  385   3HD1  ILE  52          3HD1      ILE  52   5.196  -7.043  -6.243
  386    H    ASN  53           H        ASN  53   2.190  -8.719  -4.867
  387    HA   ASN  53           HA       ASN  53   1.271  -8.298  -7.445
  388   1HB   ASN  53          1HB       ASN  53   2.342 -10.490  -5.848
  389   2HB   ASN  53          2HB       ASN  53   0.988 -11.085  -6.788
  390   1HD2  ASN  53          1HD2      ASN  53   3.935 -11.482  -6.958
  391   2HD2  ASN  53          2HD2      ASN  53   4.382 -11.120  -8.592
  392    H    GLU  54           H        GLU  54  -0.260  -9.360  -4.392
  393    HA   GLU  54           HA       GLU  54  -2.578 -10.401  -5.585
  394   1HB   GLU  54          1HB       GLU  54  -1.915 -11.090  -3.342
  395   2HB   GLU  54          2HB       GLU  54  -1.979  -9.439  -2.757
  396   1HG   GLU  54          1HG       GLU  54  -4.077 -10.095  -2.056
  397   2HG   GLU  54          2HG       GLU  54  -4.515  -9.611  -3.683
  398    H    VAL  55           H        VAL  55  -1.990  -7.332  -3.711
  399    HA   VAL  55           HA       VAL  55  -4.475  -6.217  -4.214
  400    HB   VAL  55           HB       VAL  55  -3.489  -4.159  -3.495
  401   1HG1  VAL  55          1HG1      VAL  55  -2.603  -4.809  -1.374
  402   2HG1  VAL  55          2HG1      VAL  55  -3.778  -6.058  -1.852
  403   3HG1  VAL  55          3HG1      VAL  55  -2.033  -6.368  -2.015
  404   1HG2  VAL  55          1HG2      VAL  55  -0.865  -5.462  -4.243
  405   2HG2  VAL  55          2HG2      VAL  55  -1.536  -3.906  -4.788
  406   3HG2  VAL  55          3HG2      VAL  55  -0.948  -4.086  -3.117
  407    H    ASP  56           H        ASP  56  -1.368  -5.993  -6.053
  408    HA   ASP  56           HA       ASP  56  -2.074  -4.141  -7.872
  409   1HB   ASP  56          1HB       ASP  56   0.149  -5.044  -7.905
  410   2HB   ASP  56          2HB       ASP  56  -0.431  -6.686  -8.105
  411    H    ALA  57           H        ALA  57  -4.019  -4.089  -9.026
  412    HA   ALA  57           HA       ALA  57  -5.153  -6.626  -9.913
  413   1HB   ALA  57          1HB       ALA  57  -6.405  -4.734  -8.628
  414   2HB   ALA  57          2HB       ALA  57  -6.416  -3.892 -10.197
  415   3HB   ALA  57          3HB       ALA  57  -7.202  -5.481 -10.033
  416    H    ASP  58           H        ASP  58  -4.481  -3.299 -11.229
  417    HA   ASP  58           HA       ASP  58  -4.997  -3.643 -13.781
  418   1HB   ASP  58          1HB       ASP  58  -2.750  -2.279 -14.171
  419   2HB   ASP  58          2HB       ASP  58  -4.090  -1.551 -13.308
  420    H    GLY  59           H        GLY  59  -2.242  -5.025 -11.948
  421   1HA   GLY  59          1HA       GLY  59  -1.191  -7.022 -12.513
  422   2HA   GLY  59          2HA       GLY  59  -1.674  -6.825 -14.186
  423    H    ASP  60           H        ASP  60   0.804  -6.245 -11.805
  424    HA   ASP  60           HA       ASP  60   2.616  -5.541 -13.837
  425   1HB   ASP  60          1HB       ASP  60   2.528  -3.432 -11.699
  426   2HB   ASP  60          2HB       ASP  60   3.074  -3.302 -13.359
  427    H    GLY  61           H        GLY  61   1.853  -5.253 -10.288
  428   1HA   GLY  61          1HA       GLY  61   2.925  -6.906  -8.841
  429   2HA   GLY  61          2HA       GLY  61   4.419  -6.610  -9.709
  430    H    THR  62           H        THR  62   2.239  -3.889  -9.116
  431    HA   THR  62           HA       THR  62   3.832  -3.079  -6.793
  432    HB   THR  62           HB       THR  62   3.275  -1.322  -9.240
  433    HG1  THR  62           HG1      THR  62   4.825  -3.111  -9.575
  434   1HG2  THR  62          1HG2      THR  62   5.503  -0.361  -7.892
  435   2HG2  THR  62          2HG2      THR  62   3.862   0.305  -7.712
  436   3HG2  THR  62          3HG2      THR  62   4.470  -0.892  -6.543
  437    H    ILE  63           H        ILE  63   2.824  -1.267  -5.574
  438    HA   ILE  63           HA       ILE  63  -0.039  -1.730  -5.525
  439    HB   ILE  63           HB       ILE  63   1.789  -0.251  -3.629
  440   1HG1  ILE  63          1HG1      ILE  63   0.771  -3.090  -3.699
  441   2HG1  ILE  63          2HG1      ILE  63   2.422  -2.521  -3.552
  442   1HG2  ILE  63          1HG2      ILE  63  -0.156  -0.489  -2.054
  443   2HG2  ILE  63          2HG2      ILE  63  -0.402   0.653  -3.396
  444   3HG2  ILE  63          3HG2      ILE  63  -1.147  -0.962  -3.454
  445   1HD1  ILE  63          1HD1      ILE  63   1.509  -1.346  -1.341
  446   2HD1  ILE  63          2HD1      ILE  63   0.243  -2.592  -1.466
  447   3HD1  ILE  63          3HD1      ILE  63   1.952  -3.070  -1.331
  448    H    ASP  64           H        ASP  64  -1.439   0.301  -5.033
  449    HA   ASP  64           HA       ASP  64  -0.414   2.648  -6.331
  450   1HB   ASP  64          1HB       ASP  64  -1.604   0.978  -8.017
  451   2HB   ASP  64          2HB       ASP  64  -3.082   1.556  -7.273
  452    H    PHE  65           H        PHE  65  -2.428   4.366  -6.315
  453    HA   PHE  65           HA       PHE  65  -3.175   4.656  -3.646
  454   1HB   PHE  65          1HB       PHE  65  -3.276   6.031  -6.176
  455   2HB   PHE  65          2HB       PHE  65  -4.930   5.997  -5.599
  456    HD1  PHE  65           HD1      PHE  65  -4.585   6.268  -2.693
  457    HD2  PHE  65           HD2      PHE  65  -2.551   8.213  -5.870
  458    HE1  PHE  65           HE1      PHE  65  -4.100   8.219  -1.190
  459    HE2  PHE  65           HE2      PHE  65  -2.067  10.163  -4.366
  460    HZ   PHE  65           HZ       PHE  65  -2.847  10.143  -2.044
  461    HA   PRO  66           HA       PRO  66  -7.433   3.148  -5.066
  462   1HB   PRO  66          1HB       PRO  66  -7.756   2.062  -7.553
  463   2HB   PRO  66          2HB       PRO  66  -8.099   3.742  -7.189
  464   1HG   PRO  66          1HG       PRO  66  -5.795   2.593  -8.642
  465   2HG   PRO  66          2HG       PRO  66  -6.373   4.247  -8.633
  466   1HD   PRO  66          1HD       PRO  66  -4.095   3.219  -7.226
  467   2HD   PRO  66          2HD       PRO  66  -4.742   4.845  -7.127
  468    H    GLU  67           H        GLU  67  -4.654   1.357  -6.033
  469    HA   GLU  67           HA       GLU  67  -5.892  -1.149  -5.764
  470   1HB   GLU  67          1HB       GLU  67  -3.045  -0.158  -5.953
  471   2HB   GLU  67          2HB       GLU  67  -3.331  -1.826  -5.497
  472   1HG   GLU  67          1HG       GLU  67  -4.721  -2.147  -7.558
  473   2HG   GLU  67          2HG       GLU  67  -4.424  -0.482  -8.015
  474    H    PHE  68           H        PHE  68  -3.483   0.596  -3.659
  475    HA   PHE  68           HA       PHE  68  -3.570  -1.174  -1.555
  476   1HB   PHE  68          1HB       PHE  68  -2.273   1.151  -2.225
  477   2HB   PHE  68          2HB       PHE  68  -3.431   1.822  -1.093
  478    HD1  PHE  68           HD1      PHE  68  -2.089   2.420   0.724
  479    HD2  PHE  68           HD2      PHE  68  -1.733  -1.480  -0.911
  480    HE1  PHE  68           HE1      PHE  68  -0.605   1.754   2.636
  481    HE2  PHE  68           HE2      PHE  68  -0.249  -2.146   1.001
  482    HZ   PHE  68           HZ       PHE  68   0.297  -0.521   2.751
  483    H    LEU  69           H        LEU  69  -5.711   1.616  -2.329
  484    HA   LEU  69           HA       LEU  69  -7.033   1.888   0.035
  485   1HB   LEU  69          1HB       LEU  69  -8.159   3.347  -1.164
  486   2HB   LEU  69          2HB       LEU  69  -7.290   2.790  -2.580
  487    HG   LEU  69           HG       LEU  69  -9.193   0.975  -2.690
  488   1HD1  LEU  69          1HD1      LEU  69 -10.578   3.181  -1.140
  489   2HD1  LEU  69          2HD1      LEU  69 -11.350   1.754  -1.873
  490   3HD1  LEU  69          3HD1      LEU  69 -10.202   1.552  -0.527
  491   1HD2  LEU  69          1HD2      LEU  69  -8.940   3.698  -3.732
  492   2HD2  LEU  69          2HD2      LEU  69  -9.339   2.176  -4.566
  493   3HD2  LEU  69          3HD2      LEU  69 -10.615   3.095  -3.731
  494    H    THR  70           H        THR  70  -7.545  -0.575  -2.547
  495    HA   THR  70           HA       THR  70  -9.776  -1.754  -1.221
  496    HB   THR  70           HB       THR  70  -7.930  -2.494  -3.535
  497    HG1  THR  70           HG1      THR  70 -10.192  -2.205  -4.494
  498   1HG2  THR  70          1HG2      THR  70  -9.057  -4.511  -2.143
  499   2HG2  THR  70          2HG2      THR  70 -10.519  -3.954  -2.991
  500   3HG2  THR  70          3HG2      THR  70  -9.100  -4.491  -3.922
  501    H    MET  71           H        MET  71  -6.238  -2.378  -1.296
  502    HA   MET  71           HA       MET  71  -6.236  -4.802  -0.075
  503   1HB   MET  71          1HB       MET  71  -4.205  -3.703  -0.955
  504   2HB   MET  71          2HB       MET  71  -4.345  -2.405   0.214
  505   1HG   MET  71          1HG       MET  71  -4.328  -4.765   1.782
  506   2HG   MET  71          2HG       MET  71  -3.134  -5.062   0.533
  507   1HE   MET  71          1HE       MET  71  -1.825  -3.562   4.144
  508   2HE   MET  71          2HE       MET  71  -3.580  -3.286   4.035
  509   3HE   MET  71          3HE       MET  71  -2.895  -4.861   3.564
  510    H    MET  72           H        MET  72  -5.885  -1.578   1.587
  511    HA   MET  72           HA       MET  72  -5.934  -2.574   4.134
  512   1HB   MET  72          1HB       MET  72  -5.636  -0.113   3.005
  513   2HB   MET  72          2HB       MET  72  -7.299   0.059   3.529
  514   1HG   MET  72          1HG       MET  72  -6.547   0.535   5.618
  515   2HG   MET  72          2HG       MET  72  -5.948  -1.107   5.743
  516   1HE   MET  72          1HE       MET  72  -2.557  -0.031   6.765
  517   2HE   MET  72          2HE       MET  72  -4.204  -0.136   7.433
  518   3HE   MET  72          3HE       MET  72  -3.562  -1.461   6.432
  519    H    ALA  73           H        ALA  73  -8.711  -1.058   2.325
  520    HA   ALA  73           HA       ALA  73 -10.686  -1.406   4.118
  521   1HB   ALA  73          1HB       ALA  73 -12.018  -0.855   2.364
  522   2HB   ALA  73          2HB       ALA  73 -10.488  -0.700   1.468
  523   3HB   ALA  73          3HB       ALA  73 -11.430  -2.207   1.368
  524    H    ARG  74           H        ARG  74  -9.694  -3.879   1.640
  525    HA   ARG  74           HA       ARG  74 -11.402  -5.817   2.585
  526   1HB   ARG  74          1HB       ARG  74  -8.747  -6.001   1.086
  527   2HB   ARG  74          2HB       ARG  74  -9.739  -7.411   1.400
  528   1HG   ARG  74          1HG       ARG  74 -11.354  -5.225   0.295
  529   2HG   ARG  74          2HG       ARG  74 -10.000  -5.591  -0.756
  530   1HD   ARG  74          1HD       ARG  74 -10.643  -7.970  -0.846
  531   2HD   ARG  74          2HD       ARG  74 -11.906  -7.714   0.343
  532    HE   ARG  74           HE       ARG  74 -13.276  -6.807  -1.330
  533   1HH1  ARG  74          2HH2      ARG  74  -9.951  -6.909  -2.479
  534   2HH1  ARG  74          1HH2      ARG  74 -10.363  -6.461  -4.101
  535   1HH2  ARG  74          2HH1      ARG  74 -13.820  -6.217  -3.470
  536   2HH2  ARG  74          1HH1      ARG  74 -12.578  -6.065  -4.668
  537    H    LYS  75           H        LYS  75  -8.020  -4.947   3.459
  538    HA   LYS  75           HA       LYS  75  -7.247  -7.104   4.906
  539   1HB   LYS  75          1HB       LYS  75  -6.096  -4.811   4.377
  540   2HB   LYS  75          2HB       LYS  75  -6.729  -4.326   5.937
  541   1HG   LYS  75          1HG       LYS  75  -4.516  -5.213   6.328
  542   2HG   LYS  75          2HG       LYS  75  -5.651  -6.393   6.952
  543   1HD   LYS  75          1HD       LYS  75  -4.935  -6.769   4.083
  544   2HD   LYS  75          2HD       LYS  75  -3.597  -6.970   5.197
  545   1HE   LYS  75          1HE       LYS  75  -5.937  -8.309   6.285
  546   2HE   LYS  75          2HE       LYS  75  -5.703  -8.831   4.629
  547   1HZ   LYS  75          1HZ       LYS  75  -3.221  -8.749   5.849
  548   2HZ   LYS  75          2HZ       LYS  75  -4.226  -9.538   6.866
  549   3HZ   LYS  75          3HZ       LYS  75  -4.041 -10.063   5.330
  550    H    MET  76           H        MET  76  -9.042  -4.236   6.244
  551    HA   MET  76           HA       MET  76  -9.387  -5.202   8.748
  552   1HB   MET  76          1HB       MET  76 -10.768  -3.275   6.928
  553   2HB   MET  76          2HB       MET  76 -11.785  -3.860   8.229
  554   1HG   MET  76          1HG       MET  76  -9.416  -3.319   9.578
  555   2HG   MET  76          2HG       MET  76  -9.412  -2.071   8.347
  556   1HE   MET  76          1HE       MET  76 -11.563  -3.931  10.927
  557   2HE   MET  76          2HE       MET  76 -10.545  -2.816  11.870
  558   3HE   MET  76          3HE       MET  76 -12.310  -2.593  11.831
  559    H    LYS  77           H        LYS  77 -11.395  -5.835   5.815
  560    HA   LYS  77           HA       LYS  77 -13.429  -7.227   7.121
  561   1HB   LYS  77          1HB       LYS  77 -12.780  -6.452   4.492
  562   2HB   LYS  77          2HB       LYS  77 -12.933  -8.196   4.434
  563   1HG   LYS  77          1HG       LYS  77 -15.148  -7.989   5.658
  564   2HG   LYS  77          2HG       LYS  77 -15.001  -6.246   5.553
  565   1HD   LYS  77          1HD       LYS  77 -14.636  -7.700   2.969
  566   2HD   LYS  77          2HD       LYS  77 -16.243  -7.807   3.658
  567   1HE   LYS  77          1HE       LYS  77 -15.135  -5.067   3.786
  568   2HE   LYS  77          2HE       LYS  77 -15.250  -5.670   2.145
  569   1HZ   LYS  77          1HZ       LYS  77 -17.289  -4.668   2.739
  570   2HZ   LYS  77          2HZ       LYS  77 -17.562  -6.277   2.657
  571   3HZ   LYS  77          3HZ       LYS  77 -17.427  -5.544   4.111
  572    H    ASP  78           H        ASP  78 -10.510  -8.475   5.348
  573    HA   ASP  78           HA       ASP  78 -10.888 -11.096   5.799
  574   1HB   ASP  78          1HB       ASP  78  -8.683  -9.345   5.128
  575   2HB   ASP  78          2HB       ASP  78  -8.095 -10.546   6.262
  576    H    THR  79           H        THR  79  -8.805  -8.876   7.823
  577    HA   THR  79           HA       THR  79  -8.455 -10.713   9.917
  578    HB   THR  79           HB       THR  79  -7.004  -8.719   9.388
  579    HG1  THR  79           HG1      THR  79  -8.366  -8.555  11.977
  580   1HG2  THR  79          1HG2      THR  79  -8.105  -6.642  10.808
  581   2HG2  THR  79          2HG2      THR  79  -8.202  -6.764   9.035
  582   3HG2  THR  79          3HG2      THR  79  -9.566  -7.308  10.040
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1 -16.487   6.772   6.803
    2    HA   ALA   1           HA       ALA   1 -18.218   5.644   7.644
    3   1HB   ALA   1          1HB       ALA   1 -18.672   8.525   7.855
    4   2HB   ALA   1          2HB       ALA   1 -20.198   7.609   7.913
    5   3HB   ALA   1          3HB       ALA   1 -18.898   7.247   9.074
    6    H    ASP   2           H        ASP   2 -19.247   7.825   4.956
    7    HA   ASP   2           HA       ASP   2 -21.633   6.600   4.421
    8   1HB   ASP   2          1HB       ASP   2 -19.728   8.372   3.031
    9   2HB   ASP   2          2HB       ASP   2 -20.585   7.334   1.909
   10    H    GLN   3           H        GLN   3 -18.282   5.971   3.172
   11    HA   GLN   3           HA       GLN   3 -19.142   3.286   2.525
   12   1HB   GLN   3          1HB       GLN   3 -18.099   3.343   0.307
   13   2HB   GLN   3          2HB       GLN   3 -19.331   4.585   0.412
   14   1HG   GLN   3          1HG       GLN   3 -16.750   5.625   1.324
   15   2HG   GLN   3          2HG       GLN   3 -16.600   4.936  -0.281
   16   1HE2  GLN   3          1HE2      GLN   3 -16.474   6.695  -1.511
   17   2HE2  GLN   3          2HE2      GLN   3 -17.681   7.929  -1.651
   18    H    LEU   4           H        LEU   4 -17.445   4.796   4.595
   19    HA   LEU   4           HA       LEU   4 -15.618   4.365   5.760
   20   1HB   LEU   4          1HB       LEU   4 -16.174   2.011   5.351
   21   2HB   LEU   4          2HB       LEU   4 -15.231   2.037   3.873
   22    HG   LEU   4           HG       LEU   4 -14.123   0.974   5.866
   23   1HD1  LEU   4          1HD1      LEU   4 -12.916   1.834   3.847
   24   2HD1  LEU   4          2HD1      LEU   4 -12.598   3.337   4.747
   25   3HD1  LEU   4          3HD1      LEU   4 -11.942   1.791   5.336
   26   1HD2  LEU   4          1HD2      LEU   4 -14.997   3.089   7.294
   27   2HD2  LEU   4          2HD2      LEU   4 -13.616   2.072   7.771
   28   3HD2  LEU   4          3HD2      LEU   4 -13.336   3.621   6.939
   29    H    THR   5           H        THR   5 -14.767   3.627   2.299
   30    HA   THR   5           HA       THR   5 -12.230   4.616   2.300
   31    HB   THR   5           HB       THR   5 -14.436   4.656   0.180
   32    HG1  THR   5           HG1      THR   5 -13.812   2.539   0.567
   33   1HG2  THR   5          1HG2      THR   5 -12.712   6.204  -0.619
   34   2HG2  THR   5          2HG2      THR   5 -11.418   5.119  -0.056
   35   3HG2  THR   5          3HG2      THR   5 -12.448   4.640  -1.427
   36    H    GLU   6           H        GLU   6 -15.220   6.421   2.647
   37    HA   GLU   6           HA       GLU   6 -14.389   8.855   1.702
   38   1HB   GLU   6          1HB       GLU   6 -16.717   8.220   2.442
   39   2HB   GLU   6          2HB       GLU   6 -16.192   8.344   4.109
   40   1HG   GLU   6          1HG       GLU   6 -15.794  10.705   3.931
   41   2HG   GLU   6          2HG       GLU   6 -15.817  10.664   2.179
   42    H    GLU   7           H        GLU   7 -14.354   7.709   5.162
   43    HA   GLU   7           HA       GLU   7 -12.779   9.894   5.961
   44   1HB   GLU   7          1HB       GLU   7 -12.597   8.599   8.121
   45   2HB   GLU   7          2HB       GLU   7 -14.242   8.844   7.571
   46   1HG   GLU   7          1HG       GLU   7 -14.591   6.606   7.180
   47   2HG   GLU   7          2HG       GLU   7 -12.986   6.363   6.520
   48    H    GLN   8           H        GLN   8 -12.121   6.594   4.803
   49    HA   GLN   8           HA       GLN   8  -9.514   6.415   5.740
   50   1HB   GLN   8          1HB       GLN   8 -11.281   4.776   4.349
   51   2HB   GLN   8          2HB       GLN   8 -10.040   5.082   3.150
   52   1HG   GLN   8          1HG       GLN   8  -9.458   3.085   4.472
   53   2HG   GLN   8          2HG       GLN   8  -8.282   4.353   4.757
   54   1HE2  GLN   8          1HE2      GLN   8  -7.912   5.049   6.746
   55   2HE2  GLN   8          2HE2      GLN   8  -8.805   4.619   8.167
   56    H    ILE   9           H        ILE   9 -10.872   7.530   2.567
   57    HA   ILE   9           HA       ILE   9  -8.532   7.994   1.239
   58    HB   ILE   9           HB       ILE   9 -11.266   9.179   1.174
   59   1HG1  ILE   9          1HG1      ILE   9  -9.539   7.589  -0.735
   60   2HG1  ILE   9          2HG1      ILE   9 -10.978   7.054   0.110
   61   1HG2  ILE   9          1HG2      ILE   9 -10.442  11.167   0.524
   62   2HG2  ILE   9          2HG2      ILE   9  -8.835  10.503   0.148
   63   3HG2  ILE   9          3HG2      ILE   9 -10.164  10.332  -1.023
   64   1HD1  ILE   9          1HD1      ILE   9 -10.733   8.828  -2.298
   65   2HD1  ILE   9          2HD1      ILE   9 -11.941   7.574  -1.928
   66   3HD1  ILE   9          3HD1      ILE   9 -12.059   9.177  -1.163
   67    H    ALA  10           H        ALA  10 -10.236  10.129   3.606
   68    HA   ALA  10           HA       ALA  10  -8.689  12.363   3.390
   69   1HB   ALA  10          1HB       ALA  10  -9.880  11.055   5.868
   70   2HB   ALA  10          2HB       ALA  10  -9.310  12.739   5.781
   71   3HB   ALA  10          3HB       ALA  10 -10.687  12.212   4.783
   72    H    GLU  11           H        GLU  11  -8.046   9.376   5.336
   73    HA   GLU  11           HA       GLU  11  -5.616  10.385   6.323
   74   1HB   GLU  11          1HB       GLU  11  -7.040   7.737   6.337
   75   2HB   GLU  11          2HB       GLU  11  -5.328   7.733   6.710
   76   1HG   GLU  11          1HG       GLU  11  -5.655   9.333   8.540
   77   2HG   GLU  11          2HG       GLU  11  -7.333   9.572   8.094
   78    H    PHE  12           H        PHE  12  -6.495   8.042   3.700
   79    HA   PHE  12           HA       PHE  12  -3.939   7.356   2.946
   80   1HB   PHE  12          1HB       PHE  12  -6.573   7.789   1.424
   81   2HB   PHE  12          2HB       PHE  12  -5.183   7.043   0.662
   82    HD1  PHE  12           HD1      PHE  12  -4.218   5.403   3.010
   83    HD2  PHE  12           HD2      PHE  12  -8.100   6.004   1.406
   84    HE1  PHE  12           HE1      PHE  12  -4.931   3.167   3.899
   85    HE2  PHE  12           HE2      PHE  12  -8.814   3.768   2.295
   86    HZ   PHE  12           HZ       PHE  12  -7.221   2.376   3.531
   87    H    LYS  13           H        LYS  13  -5.997  10.135   1.882
   88    HA   LYS  13           HA       LYS  13  -4.552  11.107  -0.171
   89   1HB   LYS  13          1HB       LYS  13  -6.686  11.972   1.154
   90   2HB   LYS  13          2HB       LYS  13  -5.518  13.047   1.896
   91   1HG   LYS  13          1HG       LYS  13  -5.800  14.375   0.069
   92   2HG   LYS  13          2HG       LYS  13  -4.812  13.210  -0.790
   93   1HD   LYS  13          1HD       LYS  13  -6.642  13.076  -2.174
   94   2HD   LYS  13          2HD       LYS  13  -7.217  11.941  -0.969
   95   1HE   LYS  13          1HE       LYS  13  -7.768  14.873  -0.512
   96   2HE   LYS  13          2HE       LYS  13  -8.701  14.049  -1.746
   97   1HZ   LYS  13          1HZ       LYS  13  -8.620  12.410   0.480
   98   2HZ   LYS  13          2HZ       LYS  13  -9.006  13.907   1.008
   99   3HZ   LYS  13          3HZ       LYS  13  -9.912  13.189  -0.145
  100    H    GLU  14           H        GLU  14  -3.985  12.027   3.305
  101    HA   GLU  14           HA       GLU  14  -1.555  13.277   2.635
  102   1HB   GLU  14          1HB       GLU  14  -3.070  12.647   5.146
  103   2HB   GLU  14          2HB       GLU  14  -1.356  12.966   5.322
  104   1HG   GLU  14          1HG       GLU  14  -2.889  14.862   3.571
  105   2HG   GLU  14          2HG       GLU  14  -3.238  14.935   5.287
  106    H    ALA  15           H        ALA  15  -2.358  10.231   4.460
  107    HA   ALA  15           HA       ALA  15   0.074   9.293   5.042
  108   1HB   ALA  15          1HB       ALA  15  -1.672   7.919   5.699
  109   2HB   ALA  15          2HB       ALA  15  -2.477   8.002   4.114
  110   3HB   ALA  15          3HB       ALA  15  -1.033   6.984   4.326
  111    H    PHE  16           H        PHE  16  -1.525   9.111   1.799
  112    HA   PHE  16           HA       PHE  16   0.072   7.599   0.360
  113   1HB   PHE  16          1HB       PHE  16  -1.764   9.051  -0.516
  114   2HB   PHE  16          2HB       PHE  16  -0.824  10.492  -0.179
  115    HD1  PHE  16           HD1      PHE  16  -0.531   7.323  -2.139
  116    HD2  PHE  16           HD2      PHE  16   0.286  11.483  -1.939
  117    HE1  PHE  16           HE1      PHE  16   0.414   7.250  -4.463
  118    HE2  PHE  16           HE2      PHE  16   1.231  11.409  -4.263
  119    HZ   PHE  16           HZ       PHE  16   1.284   9.293  -5.497
  120    H    SER  17           H        SER  17   0.884  11.089   1.011
  121    HA   SER  17           HA       SER  17   3.187  11.330  -0.225
  122   1HB   SER  17          1HB       SER  17   1.938  12.845   1.575
  123   2HB   SER  17          2HB       SER  17   3.137  12.188   2.671
  124    HG   SER  17           HG       SER  17   3.660  14.267   1.471
  125    H    LEU  18           H        LEU  18   2.745   9.681   2.970
  126    HA   LEU  18           HA       LEU  18   5.496   9.049   3.235
  127   1HB   LEU  18          1HB       LEU  18   3.052   7.899   4.590
  128   2HB   LEU  18          2HB       LEU  18   4.711   7.611   5.074
  129    HG   LEU  18           HG       LEU  18   3.859  10.457   4.901
  130   1HD1  LEU  18          1HD1      LEU  18   1.879   9.407   5.897
  131   2HD1  LEU  18          2HD1      LEU  18   2.905   8.647   7.138
  132   3HD1  LEU  18          3HD1      LEU  18   2.752  10.419   7.072
  133   1HD2  LEU  18          1HD2      LEU  18   5.392  10.784   6.636
  134   2HD2  LEU  18          2HD2      LEU  18   5.341   9.076   7.133
  135   3HD2  LEU  18          3HD2      LEU  18   6.146   9.537   5.614
  136    H    PHE  19           H        PHE  19   2.572   7.036   2.442
  137    HA   PHE  19           HA       PHE  19   3.767   4.679   1.956
  138   1HB   PHE  19          1HB       PHE  19   1.601   6.213   0.404
  139   2HB   PHE  19          2HB       PHE  19   1.898   4.505   0.143
  140    HD1  PHE  19           HD1      PHE  19  -0.670   5.916   1.120
  141    HD2  PHE  19           HD2      PHE  19   2.487   3.940   3.154
  142    HE1  PHE  19           HE1      PHE  19  -2.233   5.356   3.003
  143    HE2  PHE  19           HE2      PHE  19   0.924   3.380   5.037
  144    HZ   PHE  19           HZ       PHE  19  -1.417   4.094   4.939
  145    H    ASP  20           H        ASP  20   3.327   7.323  -0.504
  146    HA   ASP  20           HA       ASP  20   4.849   5.898  -2.403
  147   1HB   ASP  20          1HB       ASP  20   3.017   7.759  -2.721
  148   2HB   ASP  20          2HB       ASP  20   4.326   8.892  -2.451
  149    H    LYS  21           H        LYS  21   7.015   5.552  -1.707
  150    HA   LYS  21           HA       LYS  21   8.457   7.598  -0.343
  151   1HB   LYS  21          1HB       LYS  21   9.560   5.069  -1.587
  152   2HB   LYS  21          2HB       LYS  21  10.253   6.017  -0.286
  153   1HG   LYS  21          1HG       LYS  21   7.494   4.748  -0.047
  154   2HG   LYS  21          2HG       LYS  21   8.951   3.867   0.367
  155   1HD   LYS  21          1HD       LYS  21   9.544   5.500   2.084
  156   2HD   LYS  21          2HD       LYS  21   8.272   6.589   1.567
  157   1HE   LYS  21          1HE       LYS  21   6.561   4.840   2.188
  158   2HE   LYS  21          2HE       LYS  21   7.854   3.809   2.768
  159   1HZ   LYS  21          1HZ       LYS  21   6.701   6.098   3.994
  160   2HZ   LYS  21          2HZ       LYS  21   7.545   4.874   4.668
  161   3HZ   LYS  21          3HZ       LYS  21   8.333   6.141   4.005
  162    H    ASP  22           H        ASP  22   8.709   6.062  -3.627
  163    HA   ASP  22           HA       ASP  22  10.735   7.540  -4.590
  164   1HB   ASP  22          1HB       ASP  22   8.326   6.212  -5.753
  165   2HB   ASP  22          2HB       ASP  22   9.074   7.408  -6.793
  166    H    GLY  23           H        GLY  23   7.171   8.262  -4.941
  167   1HA   GLY  23          1HA       GLY  23   6.244  10.382  -4.532
  168   2HA   GLY  23          2HA       GLY  23   7.791  11.135  -4.865
  169    H    ASP  24           H        ASP  24   6.258   8.539  -6.835
  170    HA   ASP  24           HA       ASP  24   6.111  10.501  -8.985
  171   1HB   ASP  24          1HB       ASP  24   6.019   8.208 -10.360
  172   2HB   ASP  24          2HB       ASP  24   7.547   8.904  -9.857
  173    H    GLY  25           H        GLY  25   4.554   7.746  -7.262
  174   1HA   GLY  25          1HA       GLY  25   2.101   8.185  -6.953
  175   2HA   GLY  25          2HA       GLY  25   2.031   8.300  -8.700
  176    H    THR  26           H        THR  26   4.054   6.044  -6.733
  177    HA   THR  26           HA       THR  26   2.290   3.833  -7.194
  178    HB   THR  26           HB       THR  26   4.136   2.628  -8.572
  179    HG1  THR  26           HG1      THR  26   4.829   5.471  -8.579
  180   1HG2  THR  26          1HG2      THR  26   1.973   3.790  -9.545
  181   2HG2  THR  26          2HG2      THR  26   3.095   5.081 -10.039
  182   3HG2  THR  26          3HG2      THR  26   3.312   3.427 -10.660
  183    H    ILE  27           H        ILE  27   2.415   2.572  -5.452
  184    HA   ILE  27           HA       ILE  27   4.684   2.952  -3.698
  185    HB   ILE  27           HB       ILE  27   1.969   1.712  -3.471
  186   1HG1  ILE  27          1HG1      ILE  27   2.072   3.228  -1.368
  187   2HG1  ILE  27          2HG1      ILE  27   3.474   3.954  -2.129
  188   1HG2  ILE  27          1HG2      ILE  27   3.050   0.020  -2.355
  189   2HG2  ILE  27          2HG2      ILE  27   4.383   1.070  -1.818
  190   3HG2  ILE  27          3HG2      ILE  27   2.789   1.185  -1.035
  191   1HD1  ILE  27          1HD1      ILE  27   0.635   4.277  -2.783
  192   2HD1  ILE  27          2HD1      ILE  27   2.028   5.264  -3.287
  193   3HD1  ILE  27          3HD1      ILE  27   1.586   3.809  -4.213
  194    H    THR  28           H        THR  28   6.300   1.997  -5.139
  195    HA   THR  28           HA       THR  28   6.217  -0.484  -6.264
  196    HB   THR  28           HB       THR  28   8.527   0.976  -4.877
  197    HG1  THR  28           HG1      THR  28   7.644   0.735  -7.661
  198   1HG2  THR  28          1HG2      THR  28   9.648  -0.262  -7.008
  199   2HG2  THR  28          2HG2      THR  28   9.586  -1.041  -5.409
  200   3HG2  THR  28          3HG2      THR  28   8.381  -1.459  -6.651
  201    H    THR  29           H        THR  29   6.910  -2.602  -5.674
  202    HA   THR  29           HA       THR  29   5.813  -3.563  -3.353
  203    HB   THR  29           HB       THR  29   7.040  -5.620  -3.942
  204    HG1  THR  29           HG1      THR  29   8.756  -5.222  -5.664
  205   1HG2  THR  29          1HG2      THR  29   5.477  -4.207  -5.807
  206   2HG2  THR  29          2HG2      THR  29   6.968  -4.578  -6.705
  207   3HG2  THR  29          3HG2      THR  29   6.017  -5.894  -5.977
  208    H    LYS  30           H        LYS  30   9.262  -2.640  -3.931
  209    HA   LYS  30           HA       LYS  30  10.062  -3.327  -1.321
  210   1HB   LYS  30          1HB       LYS  30  12.146  -2.472  -1.921
  211   2HB   LYS  30          2HB       LYS  30  11.479  -3.037  -3.439
  212   1HG   LYS  30          1HG       LYS  30  10.579  -0.596  -3.730
  213   2HG   LYS  30          2HG       LYS  30  11.684  -0.173  -2.437
  214   1HD   LYS  30          1HD       LYS  30  13.007   0.193  -4.349
  215   2HD   LYS  30          2HD       LYS  30  13.502  -1.417  -3.866
  216   1HE   LYS  30          1HE       LYS  30  11.752  -2.351  -5.482
  217   2HE   LYS  30          2HE       LYS  30  11.485  -0.714  -6.049
  218   1HZ   LYS  30          1HZ       LYS  30  13.137  -1.198  -7.427
  219   2HZ   LYS  30          2HZ       LYS  30  14.141  -0.930  -6.167
  220   3HZ   LYS  30          3HZ       LYS  30  13.690  -2.454  -6.543
  221    H    GLU  31           H        GLU  31   8.662  -0.403  -2.818
  222    HA   GLU  31           HA       GLU  31   9.271   1.321  -0.729
  223   1HB   GLU  31          1HB       GLU  31   7.239   1.300  -2.964
  224   2HB   GLU  31          2HB       GLU  31   7.112   2.525  -1.717
  225   1HG   GLU  31          1HG       GLU  31   9.522   3.156  -2.141
  226   2HG   GLU  31          2HG       GLU  31   9.574   1.986  -3.444
  227    H    LEU  32           H        LEU  32   6.798  -1.171  -1.151
  228    HA   LEU  32           HA       LEU  32   4.987  -0.212   0.777
  229   1HB   LEU  32          1HB       LEU  32   4.213  -1.744  -0.826
  230   2HB   LEU  32          2HB       LEU  32   5.503  -2.884  -0.499
  231    HG   LEU  32           HG       LEU  32   4.507  -3.282   1.768
  232   1HD1  LEU  32          1HD1      LEU  32   3.277  -1.301   2.184
  233   2HD1  LEU  32          2HD1      LEU  32   2.340  -1.475   0.681
  234   3HD1  LEU  32          3HD1      LEU  32   2.083  -2.612   2.027
  235   1HD2  LEU  32          1HD2      LEU  32   3.284  -4.994   0.962
  236   2HD2  LEU  32          2HD2      LEU  32   2.303  -3.947  -0.090
  237   3HD2  LEU  32          3HD2      LEU  32   3.932  -4.448  -0.603
  238    H    GLY  33           H        GLY  33   7.720  -2.586   0.916
  239   1HA   GLY  33          1HA       GLY  33   7.460  -3.311   3.585
  240   2HA   GLY  33          2HA       GLY  33   8.943  -3.325   2.650
  241    H    THR  34           H        THR  34   8.950  -0.418   2.055
  242    HA   THR  34           HA       THR  34  10.430   0.480   4.224
  243    HB   THR  34           HB       THR  34   8.960   1.956   1.978
  244    HG1  THR  34           HG1      THR  34  11.720   1.090   2.484
  245   1HG2  THR  34          1HG2      THR  34  11.390   2.861   3.601
  246   2HG2  THR  34          2HG2      THR  34  10.527   3.784   2.348
  247   3HG2  THR  34          3HG2      THR  34   9.743   3.460   3.913
  248    H    VAL  35           H        VAL  35   7.022   1.341   3.324
  249    HA   VAL  35           HA       VAL  35   6.527   2.998   5.448
  250    HB   VAL  35           HB       VAL  35   4.730   1.074   3.964
  251   1HG1  VAL  35          1HG1      VAL  35   4.150   2.983   6.175
  252   2HG1  VAL  35          2HG1      VAL  35   3.022   2.978   4.799
  253   3HG1  VAL  35          3HG1      VAL  35   3.323   1.478   5.708
  254   1HG2  VAL  35          1HG2      VAL  35   4.855   4.070   3.626
  255   2HG2  VAL  35          2HG2      VAL  35   5.988   2.997   2.769
  256   3HG2  VAL  35          3HG2      VAL  35   4.235   2.835   2.504
  257    H    MET  36           H        MET  36   5.990  -0.590   5.249
  258    HA   MET  36           HA       MET  36   4.943  -1.064   7.639
  259   1HB   MET  36          1HB       MET  36   7.233  -2.575   6.263
  260   2HB   MET  36          2HB       MET  36   6.271  -3.258   7.559
  261   1HG   MET  36          1HG       MET  36   4.946  -2.152   5.052
  262   2HG   MET  36          2HG       MET  36   5.577  -3.786   5.087
  263   1HE   MET  36          1HE       MET  36   3.006  -1.585   5.393
  264   2HE   MET  36          2HE       MET  36   1.981  -2.993   5.026
  265   3HE   MET  36          3HE       MET  36   1.791  -2.133   6.573
  266    H    ARG  37           H        ARG  37   8.501  -0.698   7.000
  267    HA   ARG  37           HA       ARG  37   9.292  -1.127   9.590
  268   1HB   ARG  37          1HB       ARG  37  10.484   0.436   7.269
  269   2HB   ARG  37          2HB       ARG  37  11.305   0.407   8.817
  270   1HG   ARG  37          1HG       ARG  37  12.097  -1.687   8.441
  271   2HG   ARG  37          2HG       ARG  37  10.488  -2.297   8.107
  272   1HD   ARG  37          1HD       ARG  37  10.692  -1.997   5.801
  273   2HD   ARG  37          2HD       ARG  37  11.763  -0.620   5.961
  274    HE   ARG  37           HE       ARG  37  13.323  -2.649   6.945
  275   1HH1  ARG  37          2HH2      ARG  37  11.417  -2.354   4.001
  276   2HH1  ARG  37          1HH2      ARG  37  12.444  -3.400   3.079
  277   1HH2  ARG  37          2HH1      ARG  37  14.678  -4.029   5.728
  278   2HH2  ARG  37          1HH1      ARG  37  14.312  -4.360   4.068
  279    H    SER  38           H        SER  38   8.222   1.857   7.881
  280    HA   SER  38           HA       SER  38   8.980   3.694   9.760
  281   1HB   SER  38          1HB       SER  38   8.015   4.102   7.433
  282   2HB   SER  38          2HB       SER  38   6.424   3.800   8.103
  283    HG   SER  38           HG       SER  38   7.463   5.570   9.767
  284    H    LEU  39           H        LEU  39   6.487   1.234   9.864
  285    HA   LEU  39           HA       LEU  39   4.976   2.564  11.930
  286   1HB   LEU  39          1HB       LEU  39   4.772  -0.145  10.616
  287   2HB   LEU  39          2HB       LEU  39   3.723   0.378  11.918
  288    HG   LEU  39           HG       LEU  39   3.978   1.963   9.361
  289   1HD1  LEU  39          1HD1      LEU  39   3.321  -0.507   9.019
  290   2HD1  LEU  39          2HD1      LEU  39   1.791  -0.057   9.810
  291   3HD1  LEU  39          3HD1      LEU  39   2.289   0.756   8.307
  292   1HD2  LEU  39          1HD2      LEU  39   1.610   1.782  11.223
  293   2HD2  LEU  39          2HD2      LEU  39   2.946   2.927  11.493
  294   3HD2  LEU  39          3HD2      LEU  39   1.983   3.020   9.999
  295    H    GLY  40           H        GLY  40   7.327  -0.146  11.579
  296   1HA   GLY  40          1HA       GLY  40   8.868  -0.049  13.620
  297   2HA   GLY  40          2HA       GLY  40   7.400  -0.380  14.517
  298    H    GLN  41           H        GLN  41   8.485  -1.628  11.288
  299    HA   GLN  41           HA       GLN  41   8.757  -4.242  12.505
  300   1HB   GLN  41          1HB       GLN  41   6.823  -3.496  10.300
  301   2HB   GLN  41          2HB       GLN  41   7.503  -5.110  10.344
  302   1HG   GLN  41          1HG       GLN  41   6.761  -4.798  12.984
  303   2HG   GLN  41          2HG       GLN  41   5.537  -3.831  12.186
  304   1HE2  GLN  41          1HE2      GLN  41   4.440  -4.822  10.304
  305   2HE2  GLN  41          2HE2      GLN  41   4.044  -6.508  10.361
  306    H    ASN  42           H        ASN  42   9.330  -5.793  10.301
  307    HA   ASN  42           HA       ASN  42  11.083  -4.334   8.583
  308   1HB   ASN  42          1HB       ASN  42  12.093  -5.675  10.969
  309   2HB   ASN  42          2HB       ASN  42  12.699  -6.508   9.551
  310   1HD2  ASN  42          1HD2      ASN  42  11.926  -3.107  10.288
  311   2HD2  ASN  42          2HD2      ASN  42  13.465  -2.435   9.861
  312    HA   PRO  43           HA       PRO  43   9.149  -8.261   7.110
  313   1HB   PRO  43          1HB       PRO  43   7.429  -7.229   5.255
  314   2HB   PRO  43          2HB       PRO  43   6.946  -7.629   6.891
  315   1HG   PRO  43          1HG       PRO  43   7.435  -4.967   5.701
  316   2HG   PRO  43          2HG       PRO  43   6.561  -5.371   7.165
  317   1HD   PRO  43          1HD       PRO  43   9.211  -4.287   6.993
  318   2HD   PRO  43          2HD       PRO  43   8.380  -4.799   8.449
  319    H    THR  44           H        THR  44   9.170  -9.322   4.932
  320    HA   THR  44           HA       THR  44  11.446  -8.147   3.497
  321    HB   THR  44           HB       THR  44  11.435 -10.614   2.566
  322    HG1  THR  44           HG1      THR  44  10.223 -11.997   4.041
  323   1HG2  THR  44          1HG2      THR  44  13.042 -11.057   4.137
  324   2HG2  THR  44          2HG2      THR  44  12.640  -9.480   4.857
  325   3HG2  THR  44          3HG2      THR  44  11.855 -10.959   5.460
  326    H    GLU  45           H        GLU  45  11.469  -8.091   1.174
  327    HA   GLU  45           HA       GLU  45   9.040  -7.132   0.183
  328   1HB   GLU  45          1HB       GLU  45  10.257  -6.883  -1.943
  329   2HB   GLU  45          2HB       GLU  45  11.249  -6.337  -0.605
  330   1HG   GLU  45          1HG       GLU  45  11.564  -9.227  -1.233
  331   2HG   GLU  45          2HG       GLU  45  12.046  -8.162  -2.539
  332    H    ALA  46           H        ALA  46  10.378 -10.324   0.486
  333    HA   ALA  46           HA       ALA  46   9.125 -11.496  -1.767
  334   1HB   ALA  46          1HB       ALA  46   9.848 -13.563  -0.795
  335   2HB   ALA  46          2HB       ALA  46  11.111 -12.365  -0.424
  336   3HB   ALA  46          3HB       ALA  46   9.943 -12.844   0.830
  337    H    GLU  47           H        GLU  47   8.357 -11.638   1.790
  338    HA   GLU  47           HA       GLU  47   5.990 -12.937   1.544
  339   1HB   GLU  47          1HB       GLU  47   7.169 -11.044   3.551
  340   2HB   GLU  47          2HB       GLU  47   5.456 -11.380   3.698
  341   1HG   GLU  47          1HG       GLU  47   7.121 -13.799   3.223
  342   2HG   GLU  47          2HG       GLU  47   7.483 -12.972   4.725
  343    H    LEU  48           H        LEU  48   6.653  -9.395   1.316
  344    HA   LEU  48           HA       LEU  48   3.914  -8.712   1.028
  345   1HB   LEU  48          1HB       LEU  48   6.529  -7.284   0.667
  346   2HB   LEU  48          2HB       LEU  48   5.028  -6.537   0.158
  347    HG   LEU  48           HG       LEU  48   5.520  -5.708   2.323
  348   1HD1  LEU  48          1HD1      LEU  48   3.545  -7.738   3.206
  349   2HD1  LEU  48          2HD1      LEU  48   3.481  -5.960   3.264
  350   3HD1  LEU  48          3HD1      LEU  48   3.138  -6.814   1.740
  351   1HD2  LEU  48          1HD2      LEU  48   5.704  -7.377   4.285
  352   2HD2  LEU  48          2HD2      LEU  48   6.096  -8.577   3.029
  353   3HD2  LEU  48          3HD2      LEU  48   7.118  -7.133   3.232
  354    H    GLN  49           H        GLN  49   6.431  -9.934  -1.095
  355    HA   GLN  49           HA       GLN  49   5.697  -8.930  -3.492
  356   1HB   GLN  49          1HB       GLN  49   7.594 -10.576  -2.874
  357   2HB   GLN  49          2HB       GLN  49   6.417 -11.857  -3.089
  358   1HG   GLN  49          1HG       GLN  49   5.990 -11.092  -5.424
  359   2HG   GLN  49          2HG       GLN  49   7.135  -9.782  -5.214
  360   1HE2  GLN  49          1HE2      GLN  49   6.673 -13.000  -6.093
  361   2HE2  GLN  49          2HE2      GLN  49   8.320 -13.515  -6.236
  362    H    ASP  50           H        ASP  50   4.141 -11.552  -1.593
  363    HA   ASP  50           HA       ASP  50   2.422 -12.344  -3.650
  364   1HB   ASP  50          1HB       ASP  50   3.020 -13.637  -1.532
  365   2HB   ASP  50          2HB       ASP  50   1.982 -12.546  -0.635
  366    H    MET  51           H        MET  51   2.385  -9.853  -1.085
  367    HA   MET  51           HA       MET  51  -0.370  -9.329  -1.231
  368   1HB   MET  51          1HB       MET  51   2.059  -7.760  -0.222
  369   2HB   MET  51          2HB       MET  51   0.430  -7.132  -0.068
  370   1HG   MET  51          1HG       MET  51   1.304  -9.849   1.026
  371   2HG   MET  51          2HG       MET  51   1.273  -8.382   1.983
  372   1HE   MET  51          1HE       MET  51  -0.081 -11.281   1.965
  373   2HE   MET  51          2HE       MET  51  -0.696 -10.438   3.407
  374   3HE   MET  51          3HE       MET  51  -1.834 -11.168   2.250
  375    H    ILE  52           H        ILE  52   2.518  -7.457  -2.427
  376    HA   ILE  52           HA       ILE  52   1.174  -5.487  -3.748
  377    HB   ILE  52           HB       ILE  52   3.199  -5.336  -5.173
  378   1HG1  ILE  52          1HG1      ILE  52   5.096  -6.942  -4.304
  379   2HG1  ILE  52          2HG1      ILE  52   3.758  -8.006  -3.917
  380   1HG2  ILE  52          1HG2      ILE  52   3.481  -4.064  -3.305
  381   2HG2  ILE  52          2HG2      ILE  52   3.238  -5.432  -2.193
  382   3HG2  ILE  52          3HG2      ILE  52   4.788  -5.243  -3.045
  383   1HD1  ILE  52          1HD1      ILE  52   3.624  -8.629  -6.086
  384   2HD1  ILE  52          2HD1      ILE  52   3.273  -6.946  -6.548
  385   3HD1  ILE  52          3HD1      ILE  52   4.957  -7.519  -6.486
  386    H    ASN  53           H        ASN  53   2.041  -8.789  -4.940
  387    HA   ASN  53           HA       ASN  53   1.048  -8.379  -7.494
  388   1HB   ASN  53          1HB       ASN  53   2.538 -10.284  -6.843
  389   2HB   ASN  53          2HB       ASN  53   1.258 -10.961  -5.856
  390   1HD2  ASN  53          1HD2      ASN  53   2.214 -12.612  -7.611
  391   2HD2  ASN  53          2HD2      ASN  53   1.191 -12.844  -8.990
  392    H    GLU  54           H        GLU  54  -0.410  -9.301  -4.363
  393    HA   GLU  54           HA       GLU  54  -2.814 -10.269  -5.446
  394   1HB   GLU  54          1HB       GLU  54  -2.095 -10.938  -3.215
  395   2HB   GLU  54          2HB       GLU  54  -2.069  -9.274  -2.664
  396   1HG   GLU  54          1HG       GLU  54  -4.178  -9.742  -1.898
  397   2HG   GLU  54          2HG       GLU  54  -4.655  -9.421  -3.554
  398    H    VAL  55           H        VAL  55  -2.046  -7.198  -3.639
  399    HA   VAL  55           HA       VAL  55  -4.478  -5.976  -4.046
  400    HB   VAL  55           HB       VAL  55  -3.275  -3.897  -3.592
  401   1HG1  VAL  55          1HG1      VAL  55  -2.367  -6.267  -1.924
  402   2HG1  VAL  55          2HG1      VAL  55  -2.266  -4.563  -1.419
  403   3HG1  VAL  55          3HG1      VAL  55  -3.854  -5.313  -1.709
  404   1HG2  VAL  55          1HG2      VAL  55  -1.283  -3.961  -4.803
  405   2HG2  VAL  55          2HG2      VAL  55  -0.733  -4.190  -3.126
  406   3HG2  VAL  55          3HG2      VAL  55  -0.859  -5.588  -4.220
  407    H    ASP  56           H        ASP  56  -1.470  -5.820  -6.067
  408    HA   ASP  56           HA       ASP  56  -2.380  -4.068  -7.925
  409   1HB   ASP  56          1HB       ASP  56  -0.063  -5.141  -7.707
  410   2HB   ASP  56          2HB       ASP  56  -0.709  -6.552  -8.521
  411    H    ALA  57           H        ALA  57  -4.389  -4.253  -8.959
  412    HA   ALA  57           HA       ALA  57  -5.374  -6.892  -9.640
  413   1HB   ALA  57          1HB       ALA  57  -6.838  -4.401 -10.396
  414   2HB   ALA  57          2HB       ALA  57  -7.442  -5.903  -9.657
  415   3HB   ALA  57          3HB       ALA  57  -6.601  -4.695  -8.657
  416    H    ASP  58           H        ASP  58  -4.724  -3.727 -11.312
  417    HA   ASP  58           HA       ASP  58  -5.253  -4.317 -13.809
  418   1HB   ASP  58          1HB       ASP  58  -2.639  -3.197 -13.976
  419   2HB   ASP  58          2HB       ASP  58  -4.168  -2.344 -14.046
  420    H    GLY  59           H        GLY  59  -2.553  -5.608 -11.847
  421   1HA   GLY  59          1HA       GLY  59  -1.498  -7.629 -12.199
  422   2HA   GLY  59          2HA       GLY  59  -2.059  -7.659 -13.859
  423    H    ASP  60           H        ASP  60   0.497  -6.672 -11.664
  424    HA   ASP  60           HA       ASP  60   2.234  -6.326 -13.867
  425   1HB   ASP  60          1HB       ASP  60   2.484  -3.942 -12.149
  426   2HB   ASP  60          2HB       ASP  60   2.522  -4.057 -13.897
  427    H    GLY  61           H        GLY  61   1.709  -5.387 -10.379
  428   1HA   GLY  61          1HA       GLY  61   2.814  -6.867  -8.743
  429   2HA   GLY  61          2HA       GLY  61   4.262  -6.734  -9.721
  430    H    THR  62           H        THR  62   1.917  -4.081  -9.054
  431    HA   THR  62           HA       THR  62   3.743  -2.897  -7.128
  432    HB   THR  62           HB       THR  62   2.947  -1.434  -9.696
  433    HG1  THR  62           HG1      THR  62   5.046  -2.092 -10.379
  434   1HG2  THR  62          1HG2      THR  62   4.243   0.321  -8.919
  435   2HG2  THR  62          2HG2      THR  62   3.849  -0.362  -7.323
  436   3HG2  THR  62          3HG2      THR  62   5.394  -0.767  -8.108
  437    H    ILE  63           H        ILE  63   2.792  -1.124  -5.928
  438    HA   ILE  63           HA       ILE  63  -0.119  -1.403  -5.907
  439    HB   ILE  63           HB       ILE  63   1.686  -0.256  -3.779
  440   1HG1  ILE  63          1HG1      ILE  63   0.653  -3.091  -4.080
  441   2HG1  ILE  63          2HG1      ILE  63   2.324  -2.576  -4.209
  442   1HG2  ILE  63          1HG2      ILE  63  -1.238  -0.857  -3.984
  443   2HG2  ILE  63          2HG2      ILE  63  -0.422  -1.052  -2.415
  444   3HG2  ILE  63          3HG2      ILE  63  -0.400   0.525  -3.240
  445   1HD1  ILE  63          1HD1      ILE  63   0.552  -2.631  -1.749
  446   2HD1  ILE  63          2HD1      ILE  63   2.166  -3.344  -1.978
  447   3HD1  ILE  63          3HD1      ILE  63   1.989  -1.582  -1.807
  448    H    ASP  64           H        ASP  64  -1.252   0.740  -5.110
  449    HA   ASP  64           HA       ASP  64   0.063   3.070  -6.141
  450   1HB   ASP  64          1HB       ASP  64  -2.575   2.039  -7.289
  451   2HB   ASP  64          2HB       ASP  64  -1.922   3.634  -7.605
  452    H    PHE  65           H        PHE  65  -2.116   4.844  -6.154
  453    HA   PHE  65           HA       PHE  65  -2.637   5.166  -3.430
  454   1HB   PHE  65          1HB       PHE  65  -2.904   6.540  -5.912
  455   2HB   PHE  65          2HB       PHE  65  -4.554   6.399  -5.339
  456    HD1  PHE  65           HD1      PHE  65  -4.307   6.715  -2.457
  457    HD2  PHE  65           HD2      PHE  65  -2.246   8.729  -5.572
  458    HE1  PHE  65           HE1      PHE  65  -3.951   8.688  -0.946
  459    HE2  PHE  65           HE2      PHE  65  -1.890  10.702  -4.062
  460    HZ   PHE  65           HZ       PHE  65  -2.747  10.658  -1.767
  461    HA   PRO  66           HA       PRO  66  -6.945   3.510  -4.502
  462   1HB   PRO  66          1HB       PRO  66  -7.384   2.289  -6.907
  463   2HB   PRO  66          2HB       PRO  66  -7.755   3.975  -6.607
  464   1HG   PRO  66          1HG       PRO  66  -5.508   2.816  -8.139
  465   2HG   PRO  66          2HG       PRO  66  -6.135   4.452  -8.178
  466   1HD   PRO  66          1HD       PRO  66  -3.746   3.560  -6.864
  467   2HD   PRO  66          2HD       PRO  66  -4.435   5.170  -6.806
  468    H    GLU  67           H        GLU  67  -4.685   1.445  -6.271
  469    HA   GLU  67           HA       GLU  67  -5.664  -0.938  -5.592
  470   1HB   GLU  67          1HB       GLU  67  -2.826   0.059  -5.902
  471   2HB   GLU  67          2HB       GLU  67  -3.101  -1.613  -5.453
  472   1HG   GLU  67          1HG       GLU  67  -4.623  -1.860  -7.459
  473   2HG   GLU  67          2HG       GLU  67  -4.230  -0.217  -7.926
  474    H    PHE  68           H        PHE  68  -3.250   0.918  -3.596
  475    HA   PHE  68           HA       PHE  68  -3.205  -0.866  -1.477
  476   1HB   PHE  68          1HB       PHE  68  -1.846   1.345  -2.183
  477   2HB   PHE  68          2HB       PHE  68  -3.040   2.174  -1.204
  478    HD1  PHE  68           HD1      PHE  68  -1.805   2.921   0.628
  479    HD2  PHE  68           HD2      PHE  68  -1.462  -1.134  -0.572
  480    HE1  PHE  68           HE1      PHE  68  -0.461   2.425   2.689
  481    HE2  PHE  68           HE2      PHE  68  -0.119  -1.631   1.488
  482    HZ   PHE  68           HZ       PHE  68   0.366   0.155   3.095
  483    H    LEU  69           H        LEU  69  -5.149   2.177  -1.905
  484    HA   LEU  69           HA       LEU  69  -6.430   2.305   0.443
  485   1HB   LEU  69          1HB       LEU  69  -7.326   3.954  -0.704
  486   2HB   LEU  69          2HB       LEU  69  -6.848   3.225  -2.224
  487    HG   LEU  69           HG       LEU  69  -8.965   1.802  -2.055
  488   1HD1  LEU  69          1HD1      LEU  69  -9.758   1.907   0.093
  489   2HD1  LEU  69          2HD1      LEU  69  -9.345   3.628   0.285
  490   3HD1  LEU  69          3HD1      LEU  69 -10.761   3.155  -0.684
  491   1HD2  LEU  69          1HD2      LEU  69  -8.617   4.596  -2.826
  492   2HD2  LEU  69          2HD2      LEU  69  -9.409   3.254  -3.686
  493   3HD2  LEU  69          3HD2      LEU  69 -10.310   4.184  -2.465
  494    H    THR  70           H        THR  70  -7.114  -0.002  -2.233
  495    HA   THR  70           HA       THR  70  -9.390  -1.126  -0.951
  496    HB   THR  70           HB       THR  70  -7.547  -1.942  -3.248
  497    HG1  THR  70           HG1      THR  70  -9.272  -0.086  -3.103
  498   1HG2  THR  70          1HG2      THR  70  -9.028  -3.733  -3.789
  499   2HG2  THR  70          2HG2      THR  70  -8.801  -3.917  -2.033
  500   3HG2  THR  70          3HG2      THR  70 -10.279  -3.151  -2.664
  501    H    MET  71           H        MET  71  -5.900  -2.025  -1.125
  502    HA   MET  71           HA       MET  71  -6.058  -4.437   0.093
  503   1HB   MET  71          1HB       MET  71  -3.979  -3.419  -0.847
  504   2HB   MET  71          2HB       MET  71  -3.964  -2.217   0.428
  505   1HG   MET  71          1HG       MET  71  -4.121  -4.824   1.670
  506   2HG   MET  71          2HG       MET  71  -2.842  -4.873   0.473
  507   1HE   MET  71          1HE       MET  71  -0.013  -3.501   2.337
  508   2HE   MET  71          2HE       MET  71  -0.820  -5.072   2.114
  509   3HE   MET  71          3HE       MET  71  -0.624  -3.968   0.732
  510    H    MET  72           H        MET  72  -5.408  -1.269   1.773
  511    HA   MET  72           HA       MET  72  -5.416  -2.224   4.309
  512   1HB   MET  72          1HB       MET  72  -5.187   0.233   3.126
  513   2HB   MET  72          2HB       MET  72  -6.805   0.406   3.777
  514   1HG   MET  72          1HG       MET  72  -5.218  -0.768   5.858
  515   2HG   MET  72          2HG       MET  72  -4.262   0.536   5.181
  516   1HE   MET  72          1HE       MET  72  -4.933   2.525   7.696
  517   2HE   MET  72          2HE       MET  72  -6.012   1.362   8.503
  518   3HE   MET  72          3HE       MET  72  -4.552   0.787   7.663
  519    H    ALA  73           H        ALA  73  -8.264  -0.793   2.545
  520    HA   ALA  73           HA       ALA  73 -10.164  -1.096   4.451
  521   1HB   ALA  73          1HB       ALA  73 -10.763   0.001   2.455
  522   2HB   ALA  73          2HB       ALA  73 -10.204  -1.347   1.435
  523   3HB   ALA  73          3HB       ALA  73 -11.698  -1.513   2.389
  524    H    ARG  74           H        ARG  74  -9.204  -3.585   1.979
  525    HA   ARG  74           HA       ARG  74 -10.899  -5.522   2.944
  526   1HB   ARG  74          1HB       ARG  74  -8.191  -5.860   1.555
  527   2HB   ARG  74          2HB       ARG  74  -9.401  -7.119   1.698
  528   1HG   ARG  74          1HG       ARG  74 -10.774  -4.856   0.638
  529   2HG   ARG  74          2HG       ARG  74  -9.252  -4.931  -0.227
  530   1HD   ARG  74          1HD       ARG  74  -9.894  -6.785  -1.389
  531   2HD   ARG  74          2HD       ARG  74 -10.411  -7.611   0.067
  532    HE   ARG  74           HE       ARG  74 -12.431  -5.792  -0.274
  533   1HH1  ARG  74          2HH2      ARG  74 -10.907  -8.057  -2.494
  534   2HH1  ARG  74          1HH2      ARG  74 -12.330  -8.265  -3.460
  535   1HH2  ARG  74          2HH1      ARG  74 -14.308  -6.066  -1.547
  536   2HH2  ARG  74          1HH1      ARG  74 -14.278  -7.125  -2.918
  537    H    LYS  75           H        LYS  75  -7.540  -4.597   3.835
  538    HA   LYS  75           HA       LYS  75  -6.666  -6.695   5.258
  539   1HB   LYS  75          1HB       LYS  75  -5.994  -4.007   4.998
  540   2HB   LYS  75          2HB       LYS  75  -6.257  -4.196   6.720
  541   1HG   LYS  75          1HG       LYS  75  -4.627  -6.274   5.236
  542   2HG   LYS  75          2HG       LYS  75  -3.882  -4.746   5.659
  543   1HD   LYS  75          1HD       LYS  75  -3.405  -5.829   7.629
  544   2HD   LYS  75          2HD       LYS  75  -5.030  -5.332   8.058
  545   1HE   LYS  75          1HE       LYS  75  -5.948  -7.501   7.373
  546   2HE   LYS  75          2HE       LYS  75  -4.406  -7.997   6.703
  547   1HZ   LYS  75          1HZ       LYS  75  -3.517  -7.687   9.002
  548   2HZ   LYS  75          2HZ       LYS  75  -5.059  -7.557   9.524
  549   3HZ   LYS  75          3HZ       LYS  75  -4.550  -8.937   8.813
  550    H    MET  76           H        MET  76  -8.756  -4.060   6.642
  551    HA   MET  76           HA       MET  76  -9.095  -5.249   9.083
  552   1HB   MET  76          1HB       MET  76 -10.650  -3.286   7.377
  553   2HB   MET  76          2HB       MET  76 -11.435  -3.894   8.821
  554   1HG   MET  76          1HG       MET  76  -9.226  -3.243  10.068
  555   2HG   MET  76          2HG       MET  76  -8.837  -2.319   8.631
  556   1HE   MET  76          1HE       MET  76 -11.972  -1.828  11.758
  557   2HE   MET  76          2HE       MET  76 -10.547  -2.887  11.632
  558   3HE   MET  76          3HE       MET  76 -10.352  -1.186  12.116
  559    H    LYS  77           H        LYS  77 -11.046  -5.595   6.057
  560    HA   LYS  77           HA       LYS  77 -13.091  -7.125   7.118
  561   1HB   LYS  77          1HB       LYS  77 -12.469  -6.078   4.670
  562   2HB   LYS  77          2HB       LYS  77 -12.232  -7.787   4.368
  563   1HG   LYS  77          1HG       LYS  77 -14.475  -8.331   4.854
  564   2HG   LYS  77          2HG       LYS  77 -14.713  -6.917   5.860
  565   1HD   LYS  77          1HD       LYS  77 -14.194  -6.663   2.871
  566   2HD   LYS  77          2HD       LYS  77 -15.810  -6.924   3.496
  567   1HE   LYS  77          1HE       LYS  77 -15.513  -4.876   4.971
  568   2HE   LYS  77          2HE       LYS  77 -13.966  -4.591   4.198
  569   1HZ   LYS  77          1HZ       LYS  77 -16.269  -4.956   2.480
  570   2HZ   LYS  77          2HZ       LYS  77 -16.152  -3.544   3.293
  571   3HZ   LYS  77          3HZ       LYS  77 -14.960  -4.001   2.274
  572    H    ASP  78           H        ASP  78 -10.051  -8.240   5.462
  573    HA   ASP  78           HA       ASP  78 -10.464 -10.897   5.784
  574   1HB   ASP  78          1HB       ASP  78  -8.606 -10.143   4.466
  575   2HB   ASP  78          2HB       ASP  78  -7.944  -9.199   5.785
  576    H    THR  79           H        THR  79  -8.427  -8.720   7.898
  577    HA   THR  79           HA       THR  79  -8.046 -10.615   9.928
  578    HB   THR  79           HB       THR  79  -6.837  -8.340   9.318
  579    HG1  THR  79           HG1      THR  79  -6.038  -9.427  11.114
  580   1HG2  THR  79          1HG2      THR  79  -9.298  -7.304  10.288
  581   2HG2  THR  79          2HG2      THR  79  -8.154  -7.120  11.639
  582   3HG2  THR  79          3HG2      THR  79  -7.786  -6.393  10.056
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1 -19.625   4.145  -1.666
    2    HA   ALA   1           HA       ALA   1 -18.607   3.098   0.065
    3   1HB   ALA   1          1HB       ALA   1 -16.137   2.653   0.023
    4   2HB   ALA   1          2HB       ALA   1 -17.010   1.941  -1.356
    5   3HB   ALA   1          3HB       ALA   1 -16.065   3.434  -1.575
    6    H    ASP   2           H        ASP   2 -19.205   5.964  -0.529
    7    HA   ASP   2           HA       ASP   2 -17.168   7.550   0.496
    8   1HB   ASP   2          1HB       ASP   2 -19.845   7.864  -0.471
    9   2HB   ASP   2          2HB       ASP   2 -19.807   8.617   1.111
   10    H    GLN   3           H        GLN   3 -19.121   5.165   1.955
   11    HA   GLN   3           HA       GLN   3 -19.643   6.438   4.411
   12   1HB   GLN   3          1HB       GLN   3 -20.523   4.143   3.173
   13   2HB   GLN   3          2HB       GLN   3 -19.440   3.467   4.373
   14   1HG   GLN   3          1HG       GLN   3 -21.215   5.627   5.402
   15   2HG   GLN   3          2HG       GLN   3 -22.065   4.197   4.853
   16   1HE2  GLN   3          1HE2      GLN   3 -19.751   5.513   7.097
   17   2HE2  GLN   3          2HE2      GLN   3 -19.701   4.191   8.215
   18    H    LEU   4           H        LEU   4 -16.922   4.634   3.016
   19    HA   LEU   4           HA       LEU   4 -15.494   5.038   5.547
   20   1HB   LEU   4          1HB       LEU   4 -15.875   2.751   5.577
   21   2HB   LEU   4          2HB       LEU   4 -15.692   2.583   3.842
   22    HG   LEU   4           HG       LEU   4 -13.847   1.617   5.278
   23   1HD1  LEU   4          1HD1      LEU   4 -12.242   1.962   3.647
   24   2HD1  LEU   4          2HD1      LEU   4 -13.750   2.348   2.785
   25   3HD1  LEU   4          3HD1      LEU   4 -12.710   3.660   3.391
   26   1HD2  LEU   4          1HD2      LEU   4 -13.880   3.827   6.717
   27   2HD2  LEU   4          2HD2      LEU   4 -12.380   2.900   6.478
   28   3HD2  LEU   4          3HD2      LEU   4 -12.686   4.363   5.511
   29    H    THR   5           H        THR   5 -15.005   4.179   2.045
   30    HA   THR   5           HA       THR   5 -12.462   5.015   1.717
   31    HB   THR   5           HB       THR   5 -14.388   4.095   0.084
   32    HG1  THR   5           HG1      THR   5 -12.723   4.422  -1.430
   33   1HG2  THR   5          1HG2      THR   5 -15.318   5.684  -1.379
   34   2HG2  THR   5          2HG2      THR   5 -15.370   6.596   0.149
   35   3HG2  THR   5          3HG2      THR   5 -14.060   6.892  -1.020
   36    H    GLU   6           H        GLU   6 -15.316   7.084   2.212
   37    HA   GLU   6           HA       GLU   6 -14.189   9.445   1.358
   38   1HB   GLU   6          1HB       GLU   6 -16.600   9.107   1.903
   39   2HB   GLU   6          2HB       GLU   6 -16.204   9.002   3.606
   40   1HG   GLU   6          1HG       GLU   6 -15.488  11.300   3.696
   41   2HG   GLU   6          2HG       GLU   6 -15.411  11.429   1.950
   42    H    GLU   7           H        GLU   7 -14.414   8.129   4.747
   43    HA   GLU   7           HA       GLU   7 -12.737  10.144   5.752
   44   1HB   GLU   7          1HB       GLU   7 -12.740   8.725   7.829
   45   2HB   GLU   7          2HB       GLU   7 -14.345   9.069   7.215
   46   1HG   GLU   7          1HG       GLU   7 -14.700   6.873   6.487
   47   2HG   GLU   7          2HG       GLU   7 -12.995   6.566   6.222
   48    H    GLN   8           H        GLN   8 -12.224   6.974   4.275
   49    HA   GLN   8           HA       GLN   8  -9.657   6.566   5.330
   50   1HB   GLN   8          1HB       GLN   8 -11.276   4.861   4.236
   51   2HB   GLN   8          2HB       GLN   8 -10.688   5.452   2.695
   52   1HG   GLN   8          1HG       GLN   8  -9.365   3.501   3.320
   53   2HG   GLN   8          2HG       GLN   8  -8.334   4.915   3.412
   54   1HE2  GLN   8          1HE2      GLN   8  -6.952   3.838   4.824
   55   2HE2  GLN   8          2HE2      GLN   8  -7.316   3.608   6.502
   56    H    ILE   9           H        ILE   9 -10.811   7.663   2.055
   57    HA   ILE   9           HA       ILE   9  -8.366   8.156   0.938
   58    HB   ILE   9           HB       ILE   9 -11.057   9.452   0.589
   59   1HG1  ILE   9          1HG1      ILE   9 -10.788   7.073  -0.048
   60   2HG1  ILE   9          2HG1      ILE   9 -11.190   8.113  -1.400
   61   1HG2  ILE   9          1HG2      ILE   9  -8.499  10.027  -0.918
   62   2HG2  ILE   9          2HG2      ILE   9 -10.122  10.384  -1.556
   63   3HG2  ILE   9          3HG2      ILE   9  -9.557  11.176  -0.064
   64   1HD1  ILE   9          1HD1      ILE   9  -9.437   6.713  -2.210
   65   2HD1  ILE   9          2HD1      ILE   9  -8.639   8.262  -1.847
   66   3HD1  ILE   9          3HD1      ILE   9  -8.489   6.897  -0.715
   67    H    ALA  10           H        ALA  10 -10.259  10.153   3.240
   68    HA   ALA  10           HA       ALA  10  -8.893  12.514   3.062
   69   1HB   ALA  10          1HB       ALA  10 -10.095  11.056   5.445
   70   2HB   ALA  10          2HB       ALA  10  -9.532  12.743   5.507
   71   3HB   ALA  10          3HB       ALA  10 -10.867  12.290   4.421
   72    H    GLU  11           H        GLU  11  -8.140   9.734   5.288
   73    HA   GLU  11           HA       GLU  11  -5.713  10.913   6.072
   74   1HB   GLU  11          1HB       GLU  11  -6.972   8.180   6.426
   75   2HB   GLU  11          2HB       GLU  11  -5.322   8.461   6.946
   76   1HG   GLU  11          1HG       GLU  11  -6.134  10.426   8.320
   77   2HG   GLU  11          2HG       GLU  11  -7.778  10.031   7.860
   78    H    PHE  12           H        PHE  12  -6.616   8.259   3.782
   79    HA   PHE  12           HA       PHE  12  -4.142   7.364   3.102
   80   1HB   PHE  12          1HB       PHE  12  -6.875   7.450   2.077
   81   2HB   PHE  12          2HB       PHE  12  -5.790   7.709   0.726
   82    HD1  PHE  12           HD1      PHE  12  -6.359   5.397   3.590
   83    HD2  PHE  12           HD2      PHE  12  -4.812   5.885  -0.332
   84    HE1  PHE  12           HE1      PHE  12  -5.949   2.925   3.444
   85    HE2  PHE  12           HE2      PHE  12  -4.402   3.413  -0.477
   86    HZ   PHE  12           HZ       PHE  12  -4.975   1.962   1.412
   87    H    LYS  13           H        LYS  13  -5.822  10.342   1.982
   88    HA   LYS  13           HA       LYS  13  -4.233  11.019  -0.132
   89   1HB   LYS  13          1HB       LYS  13  -6.336  12.146   1.037
   90   2HB   LYS  13          2HB       LYS  13  -5.109  13.153   1.777
   91   1HG   LYS  13          1HG       LYS  13  -5.279  14.393  -0.139
   92   2HG   LYS  13          2HG       LYS  13  -4.234  13.166  -0.828
   93   1HD   LYS  13          1HD       LYS  13  -6.553  11.886  -1.245
   94   2HD   LYS  13          2HD       LYS  13  -7.221  13.503  -1.131
   95   1HE   LYS  13          1HE       LYS  13  -4.815  13.029  -2.910
   96   2HE   LYS  13          2HE       LYS  13  -6.401  12.547  -3.478
   97   1HZ   LYS  13          1HZ       LYS  13  -6.294  15.171  -2.334
   98   2HZ   LYS  13          2HZ       LYS  13  -5.421  14.997  -3.704
   99   3HZ   LYS  13          3HZ       LYS  13  -7.019  14.660  -3.706
  100    H    GLU  14           H        GLU  14  -3.740  12.062   3.319
  101    HA   GLU  14           HA       GLU  14  -1.189  13.075   2.718
  102   1HB   GLU  14          1HB       GLU  14  -2.876  13.621   4.682
  103   2HB   GLU  14          2HB       GLU  14  -2.061  12.311   5.513
  104   1HG   GLU  14          1HG       GLU  14   0.160  13.519   4.893
  105   2HG   GLU  14          2HG       GLU  14  -0.838  14.895   4.466
  106    H    ALA  15           H        ALA  15  -2.451   9.998   4.085
  107    HA   ALA  15           HA       ALA  15  -0.105   8.906   5.005
  108   1HB   ALA  15          1HB       ALA  15  -1.659   6.864   3.738
  109   2HB   ALA  15          2HB       ALA  15  -1.600   7.297   5.463
  110   3HB   ALA  15          3HB       ALA  15  -2.784   8.079   4.389
  111    H    PHE  16           H        PHE  16  -1.573   8.537   1.695
  112    HA   PHE  16           HA       PHE  16   0.172   7.017   0.442
  113   1HB   PHE  16          1HB       PHE  16  -1.578   8.060  -0.830
  114   2HB   PHE  16          2HB       PHE  16  -1.176   9.660  -0.238
  115    HD1  PHE  16           HD1      PHE  16  -0.222   7.029  -2.629
  116    HD2  PHE  16           HD2      PHE  16   0.437  11.025  -1.362
  117    HE1  PHE  16           HE1      PHE  16   1.065   7.484  -4.735
  118    HE2  PHE  16           HE2      PHE  16   1.724  11.480  -3.469
  119    HZ   PHE  16           HZ       PHE  16   2.023   9.704  -5.130
  120    H    SER  17           H        SER  17   0.735  10.569   0.982
  121    HA   SER  17           HA       SER  17   3.029  10.935  -0.261
  122   1HB   SER  17          1HB       SER  17   1.726  12.521   1.305
  123   2HB   SER  17          2HB       SER  17   2.670  11.851   2.619
  124    HG   SER  17           HG       SER  17   4.554  12.431   0.963
  125    H    LEU  18           H        LEU  18   2.668   9.383   2.996
  126    HA   LEU  18           HA       LEU  18   5.454   8.936   3.288
  127   1HB   LEU  18          1HB       LEU  18   2.964   8.095   4.718
  128   2HB   LEU  18          2HB       LEU  18   4.474   7.277   5.069
  129    HG   LEU  18           HG       LEU  18   4.009  10.262   5.317
  130   1HD1  LEU  18          1HD1      LEU  18   2.727   8.942   6.961
  131   2HD1  LEU  18          2HD1      LEU  18   4.239   8.171   7.499
  132   3HD1  LEU  18          3HD1      LEU  18   4.007   9.923   7.716
  133   1HD2  LEU  18          1HD2      LEU  18   6.192  10.111   6.633
  134   2HD2  LEU  18          2HD2      LEU  18   6.415   8.523   5.860
  135   3HD2  LEU  18          3HD2      LEU  18   6.296   9.990   4.860
  136    H    PHE  19           H        PHE  19   2.669   6.680   2.661
  137    HA   PHE  19           HA       PHE  19   4.009   4.396   2.261
  138   1HB   PHE  19          1HB       PHE  19   1.749   5.682   0.616
  139   2HB   PHE  19          2HB       PHE  19   2.136   3.975   0.522
  140    HD1  PHE  19           HD1      PHE  19  -0.487   5.405   1.399
  141    HD2  PHE  19           HD2      PHE  19   2.738   3.671   3.542
  142    HE1  PHE  19           HE1      PHE  19  -2.018   4.950   3.335
  143    HE2  PHE  19           HE2      PHE  19   1.207   3.216   5.479
  144    HZ   PHE  19           HZ       PHE  19  -1.153   3.862   5.352
  145    H    ASP  20           H        ASP  20   3.650   7.091  -0.117
  146    HA   ASP  20           HA       ASP  20   5.111   5.615  -2.070
  147   1HB   ASP  20          1HB       ASP  20   3.239   7.451  -2.384
  148   2HB   ASP  20          2HB       ASP  20   4.545   8.598  -2.164
  149    H    LYS  21           H        LYS  21   7.292   5.330  -1.418
  150    HA   LYS  21           HA       LYS  21   8.703   7.339  -0.003
  151   1HB   LYS  21          1HB       LYS  21   9.844   4.950  -1.472
  152   2HB   LYS  21          2HB       LYS  21  10.576   5.840  -0.153
  153   1HG   LYS  21          1HG       LYS  21   7.916   4.359   0.088
  154   2HG   LYS  21          2HG       LYS  21   9.459   3.649   0.520
  155   1HD   LYS  21          1HD       LYS  21   9.760   5.067   2.373
  156   2HD   LYS  21          2HD       LYS  21   8.748   6.333   1.706
  157   1HE   LYS  21          1HE       LYS  21   6.751   4.729   1.992
  158   2HE   LYS  21          2HE       LYS  21   7.824   3.681   2.898
  159   1HZ   LYS  21          1HZ       LYS  21   7.032   4.965   4.550
  160   2HZ   LYS  21          2HZ       LYS  21   8.292   5.919   4.138
  161   3HZ   LYS  21          3HZ       LYS  21   6.788   6.282   3.615
  162    H    ASP  22           H        ASP  22   9.141   5.994  -3.356
  163    HA   ASP  22           HA       ASP  22  10.991   7.662  -4.257
  164   1HB   ASP  22          1HB       ASP  22  10.189   6.014  -5.762
  165   2HB   ASP  22          2HB       ASP  22   8.519   6.505  -5.564
  166    H    GLY  23           H        GLY  23   7.498   8.253  -5.109
  167   1HA   GLY  23          1HA       GLY  23   6.414  10.294  -4.374
  168   2HA   GLY  23          2HA       GLY  23   7.934  11.135  -4.603
  169    H    ASP  24           H        ASP  24   6.435   8.633  -6.742
  170    HA   ASP  24           HA       ASP  24   6.423  10.678  -8.815
  171   1HB   ASP  24          1HB       ASP  24   6.459   8.704 -10.403
  172   2HB   ASP  24          2HB       ASP  24   7.895   8.855  -9.410
  173    H    GLY  25           H        GLY  25   4.631   8.155  -7.043
  174   1HA   GLY  25          1HA       GLY  25   2.219   8.700  -6.843
  175   2HA   GLY  25          2HA       GLY  25   2.195   8.808  -8.592
  176    H    THR  26           H        THR  26   4.054   6.430  -6.615
  177    HA   THR  26           HA       THR  26   2.144   4.340  -7.072
  178    HB   THR  26           HB       THR  26   3.867   3.006  -8.457
  179    HG1  THR  26           HG1      THR  26   4.887   5.733  -8.306
  180   1HG2  THR  26          1HG2      THR  26   3.072   5.595  -9.860
  181   2HG2  THR  26          2HG2      THR  26   3.223   3.966 -10.562
  182   3HG2  THR  26          3HG2      THR  26   1.865   4.344  -9.476
  183    H    ILE  27           H        ILE  27   2.300   2.800  -5.528
  184    HA   ILE  27           HA       ILE  27   4.512   3.144  -3.665
  185    HB   ILE  27           HB       ILE  27   1.773   1.932  -3.509
  186   1HG1  ILE  27          1HG1      ILE  27   1.774   3.453  -1.438
  187   2HG1  ILE  27          2HG1      ILE  27   3.243   4.155  -2.087
  188   1HG2  ILE  27          1HG2      ILE  27   2.571   1.432  -1.046
  189   2HG2  ILE  27          2HG2      ILE  27   2.808   0.248  -2.354
  190   3HG2  ILE  27          3HG2      ILE  27   4.161   1.280  -1.832
  191   1HD1  ILE  27          1HD1      ILE  27   1.149   5.388  -2.765
  192   2HD1  ILE  27          2HD1      ILE  27   2.108   4.811  -4.149
  193   3HD1  ILE  27          3HD1      ILE  27   0.637   3.936  -3.660
  194    H    THR  28           H        THR  28   6.087   2.191  -5.190
  195    HA   THR  28           HA       THR  28   5.916  -0.289  -6.328
  196    HB   THR  28           HB       THR  28   8.259   1.232  -5.077
  197    HG1  THR  28           HG1      THR  28   7.354   0.721  -7.818
  198   1HG2  THR  28          1HG2      THR  28   9.180  -0.954  -5.393
  199   2HG2  THR  28          2HG2      THR  28   8.151  -1.271  -6.812
  200   3HG2  THR  28          3HG2      THR  28   9.514  -0.133  -6.936
  201    H    THR  29           H        THR  29   6.719  -2.404  -5.756
  202    HA   THR  29           HA       THR  29   5.657  -3.394  -3.432
  203    HB   THR  29           HB       THR  29   6.921  -5.417  -4.026
  204    HG1  THR  29           HG1      THR  29   8.653  -4.970  -5.731
  205   1HG2  THR  29          1HG2      THR  29   6.083  -5.719  -6.165
  206   2HG2  THR  29          2HG2      THR  29   5.288  -4.157  -5.852
  207   3HG2  THR  29          3HG2      THR  29   6.816  -4.212  -6.764
  208    H    LYS  30           H        LYS  30   9.102  -2.441  -4.017
  209    HA   LYS  30           HA       LYS  30   9.928  -3.085  -1.420
  210   1HB   LYS  30          1HB       LYS  30  11.965  -2.020  -1.995
  211   2HB   LYS  30          2HB       LYS  30  11.373  -2.781  -3.458
  212   1HG   LYS  30          1HG       LYS  30  10.193  -0.355  -3.765
  213   2HG   LYS  30          2HG       LYS  30  11.549   0.140  -2.771
  214   1HD   LYS  30          1HD       LYS  30  13.092  -1.078  -4.400
  215   2HD   LYS  30          2HD       LYS  30  11.700  -1.357  -5.428
  216   1HE   LYS  30          1HE       LYS  30  12.553   0.624  -6.349
  217   2HE   LYS  30          2HE       LYS  30  11.345   1.256  -5.248
  218   1HZ   LYS  30          1HZ       LYS  30  14.113   1.630  -5.190
  219   2HZ   LYS  30          2HZ       LYS  30  12.969   2.345  -4.270
  220   3HZ   LYS  30          3HZ       LYS  30  13.647   0.941  -3.784
  221    H    GLU  31           H        GLU  31   8.470  -0.160  -2.884
  222    HA   GLU  31           HA       GLU  31   8.993   1.509  -0.720
  223   1HB   GLU  31          1HB       GLU  31   6.882   1.574  -2.911
  224   2HB   GLU  31          2HB       GLU  31   7.032   2.853  -1.723
  225   1HG   GLU  31          1HG       GLU  31   9.376   3.265  -2.407
  226   2HG   GLU  31          2HG       GLU  31   9.314   1.918  -3.527
  227    H    LEU  32           H        LEU  32   6.620  -1.032  -1.282
  228    HA   LEU  32           HA       LEU  32   4.730  -0.128   0.629
  229   1HB   LEU  32          1HB       LEU  32   4.004  -1.543  -1.122
  230   2HB   LEU  32          2HB       LEU  32   5.228  -2.746  -0.771
  231    HG   LEU  32           HG       LEU  32   2.843  -3.291  -0.093
  232   1HD1  LEU  32          1HD1      LEU  32   3.975  -3.768   2.431
  233   2HD1  LEU  32          2HD1      LEU  32   3.961  -4.851   1.019
  234   3HD1  LEU  32          3HD1      LEU  32   5.337  -3.753   1.285
  235   1HD2  LEU  32          1HD2      LEU  32   2.096  -1.221   0.818
  236   2HD2  LEU  32          2HD2      LEU  32   2.155  -2.397   2.153
  237   3HD2  LEU  32          3HD2      LEU  32   3.438  -1.175   1.987
  238    H    GLY  33           H        GLY  33   7.535  -2.395   0.670
  239   1HA   GLY  33          1HA       GLY  33   7.132  -3.209   3.370
  240   2HA   GLY  33          2HA       GLY  33   8.560  -3.449   2.382
  241    H    THR  34           H        THR  34   8.457  -0.344   1.835
  242    HA   THR  34           HA       THR  34  10.349   0.327   3.827
  243    HB   THR  34           HB       THR  34   8.794   2.059   1.833
  244    HG1  THR  34           HG1      THR  34  10.629   1.464   0.505
  245   1HG2  THR  34          1HG2      THR  34  11.516   2.416   3.195
  246   2HG2  THR  34          2HG2      THR  34  10.874   3.455   1.900
  247   3HG2  THR  34          3HG2      THR  34  10.075   3.418   3.490
  248    H    VAL  35           H        VAL  35   7.020   1.646   3.217
  249    HA   VAL  35           HA       VAL  35   6.920   3.161   5.520
  250    HB   VAL  35           HB       VAL  35   5.397   3.118   3.482
  251   1HG1  VAL  35          1HG1      VAL  35   3.381   1.742   3.617
  252   2HG1  VAL  35          2HG1      VAL  35   4.835   0.717   3.566
  253   3HG1  VAL  35          3HG1      VAL  35   3.982   0.976   5.107
  254   1HG2  VAL  35          1HG2      VAL  35   4.957   3.926   6.173
  255   2HG2  VAL  35          2HG2      VAL  35   4.256   4.607   4.685
  256   3HG2  VAL  35          3HG2      VAL  35   3.413   3.299   5.548
  257    H    MET  36           H        MET  36   5.760  -0.232   4.951
  258    HA   MET  36           HA       MET  36   4.710  -0.748   7.359
  259   1HB   MET  36          1HB       MET  36   6.496  -2.506   5.591
  260   2HB   MET  36          2HB       MET  36   5.564  -3.151   6.927
  261   1HG   MET  36          1HG       MET  36   4.221  -1.505   4.749
  262   2HG   MET  36          2HG       MET  36   4.511  -3.219   4.526
  263   1HE   MET  36          1HE       MET  36   1.352  -2.394   4.511
  264   2HE   MET  36          2HE       MET  36   0.852  -1.647   6.048
  265   3HE   MET  36          3HE       MET  36   2.142  -0.902   5.073
  266    H    ARG  37           H        ARG  37   8.217  -1.001   6.468
  267    HA   ARG  37           HA       ARG  37   9.070  -1.965   8.885
  268   1HB   ARG  37          1HB       ARG  37  10.325  -0.444   6.609
  269   2HB   ARG  37          2HB       ARG  37  11.243  -0.522   8.099
  270   1HG   ARG  37          1HG       ARG  37  11.671  -2.771   7.882
  271   2HG   ARG  37          2HG       ARG  37  10.064  -3.125   7.277
  272   1HD   ARG  37          1HD       ARG  37  10.780  -3.080   5.116
  273   2HD   ARG  37          2HD       ARG  37  11.527  -1.508   5.329
  274    HE   ARG  37           HE       ARG  37  13.254  -3.269   6.637
  275   1HH1  ARG  37          2HH2      ARG  37  11.953  -3.004   3.378
  276   2HH1  ARG  37          1HH2      ARG  37  13.330  -3.741   2.631
  277   1HH2  ARG  37          2HH1      ARG  37  15.072  -4.242   5.651
  278   2HH2  ARG  37          1HH1      ARG  37  15.116  -4.450   3.932
  279    H    SER  38           H        SER  38   8.755   1.445   7.686
  280    HA   SER  38           HA       SER  38   9.829   2.662   9.905
  281   1HB   SER  38          1HB       SER  38   9.137   3.629   7.581
  282   2HB   SER  38          2HB       SER  38   7.548   3.847   8.287
  283    HG   SER  38           HG       SER  38   9.075   4.894  10.117
  284    H    LEU  39           H        LEU  39   6.837   0.939   9.484
  285    HA   LEU  39           HA       LEU  39   5.541   2.306  11.691
  286   1HB   LEU  39          1HB       LEU  39   4.687   0.126   9.792
  287   2HB   LEU  39          2HB       LEU  39   3.719   0.624  11.165
  288    HG   LEU  39           HG       LEU  39   4.600   2.506   8.962
  289   1HD1  LEU  39          1HD1      LEU  39   1.924   2.216   8.592
  290   2HD1  LEU  39          2HD1      LEU  39   3.173   1.335   7.680
  291   3HD1  LEU  39          3HD1      LEU  39   2.380   0.564   9.075
  292   1HD2  LEU  39          1HD2      LEU  39   3.735   3.134  11.469
  293   2HD2  LEU  39          2HD2      LEU  39   3.534   4.164  10.032
  294   3HD2  LEU  39          3HD2      LEU  39   2.203   3.109  10.564
  295    H    GLY  40           H        GLY  40   8.076   1.040  12.261
  296   1HA   GLY  40          1HA       GLY  40   8.843  -0.091  14.081
  297   2HA   GLY  40          2HA       GLY  40   7.219  -0.639  14.443
  298    H    GLN  41           H        GLN  41   6.408  -1.981  12.149
  299    HA   GLN  41           HA       GLN  41   7.483  -4.435  12.473
  300   1HB   GLN  41          1HB       GLN  41   6.301  -3.350   9.878
  301   2HB   GLN  41          2HB       GLN  41   6.377  -5.036  10.351
  302   1HG   GLN  41          1HG       GLN  41   5.031  -4.327  12.467
  303   2HG   GLN  41          2HG       GLN  41   4.733  -2.816  11.631
  304   1HE2  GLN  41          1HE2      GLN  41   3.906  -6.099  11.974
  305   2HE2  GLN  41          2HE2      GLN  41   2.707  -6.224  10.730
  306    H    ASN  42           H        ASN  42   8.449  -5.705  10.333
  307    HA   ASN  42           HA       ASN  42  10.376  -4.187   8.936
  308   1HB   ASN  42          1HB       ASN  42  11.267  -4.826  11.428
  309   2HB   ASN  42          2HB       ASN  42  11.655  -6.336  10.627
  310   1HD2  ASN  42          1HD2      ASN  42  11.991  -2.819  10.368
  311   2HD2  ASN  42          2HD2      ASN  42  13.530  -2.794   9.574
  312    HA   PRO  43           HA       PRO  43   8.986  -8.348   7.432
  313   1HB   PRO  43          1HB       PRO  43   7.276  -7.578   5.444
  314   2HB   PRO  43          2HB       PRO  43   6.740  -8.015   7.054
  315   1HG   PRO  43          1HG       PRO  43   6.955  -5.329   5.839
  316   2HG   PRO  43          2HG       PRO  43   6.044  -5.825   7.251
  317   1HD   PRO  43          1HD       PRO  43   8.535  -4.403   7.229
  318   2HD   PRO  43          2HD       PRO  43   7.682  -5.000   8.638
  319    H    THR  44           H        THR  44   9.039  -9.268   5.069
  320    HA   THR  44           HA       THR  44  11.382  -7.942   3.882
  321    HB   THR  44           HB       THR  44  11.558 -10.356   2.835
  322    HG1  THR  44           HG1      THR  44  10.373 -11.863   4.283
  323   1HG2  THR  44          1HG2      THR  44  12.217 -11.292   5.257
  324   2HG2  THR  44          2HG2      THR  44  13.212 -10.035   4.484
  325   3HG2  THR  44          3HG2      THR  44  12.021  -9.586   5.728
  326    H    GLU  45           H        GLU  45  11.536  -7.695   1.597
  327    HA   GLU  45           HA       GLU  45   9.160  -6.797   0.487
  328   1HB   GLU  45          1HB       GLU  45  10.485  -6.451  -1.557
  329   2HB   GLU  45          2HB       GLU  45  11.398  -5.947  -0.149
  330   1HG   GLU  45          1HG       GLU  45  11.813  -8.801  -0.798
  331   2HG   GLU  45          2HG       GLU  45  12.267  -7.743  -2.119
  332    H    ALA  46           H        ALA  46  10.569  -9.978   0.708
  333    HA   ALA  46           HA       ALA  46   9.409 -11.069  -1.636
  334   1HB   ALA  46          1HB       ALA  46  11.197 -11.856   0.416
  335   2HB   ALA  46          2HB       ALA  46   9.834 -12.999   0.483
  336   3HB   ALA  46          3HB       ALA  46  10.737 -12.778  -1.035
  337    H    GLU  47           H        GLU  47   8.559 -11.381   1.891
  338    HA   GLU  47           HA       GLU  47   6.250 -12.753   1.544
  339   1HB   GLU  47          1HB       GLU  47   7.305 -10.878   3.635
  340   2HB   GLU  47          2HB       GLU  47   5.601 -11.278   3.726
  341   1HG   GLU  47          1HG       GLU  47   7.247 -13.664   3.205
  342   2HG   GLU  47          2HG       GLU  47   7.744 -12.847   4.673
  343    H    LEU  48           H        LEU  48   6.774  -9.178   1.461
  344    HA   LEU  48           HA       LEU  48   4.021  -8.596   1.105
  345   1HB   LEU  48          1HB       LEU  48   6.588  -7.057   0.882
  346   2HB   LEU  48          2HB       LEU  48   5.080  -6.351   0.335
  347    HG   LEU  48           HG       LEU  48   5.602  -5.623   2.588
  348   1HD1  LEU  48          1HD1      LEU  48   3.372  -7.402   3.286
  349   2HD1  LEU  48          2HD1      LEU  48   3.457  -5.625   3.225
  350   3HD1  LEU  48          3HD1      LEU  48   3.172  -6.555   1.734
  351   1HD2  LEU  48          1HD2      LEU  48   5.548  -7.280   4.477
  352   2HD2  LEU  48          2HD2      LEU  48   5.658  -8.573   3.259
  353   3HD2  LEU  48          3HD2      LEU  48   6.973  -7.384   3.417
  354    H    GLN  49           H        GLN  49   6.615  -9.703  -0.968
  355    HA   GLN  49           HA       GLN  49   5.874  -8.624  -3.359
  356   1HB   GLN  49          1HB       GLN  49   7.884 -10.150  -2.725
  357   2HB   GLN  49          2HB       GLN  49   6.817 -11.498  -3.067
  358   1HG   GLN  49          1HG       GLN  49   6.532 -10.822  -5.371
  359   2HG   GLN  49          2HG       GLN  49   7.238  -9.246  -5.075
  360   1HE2  GLN  49          1HE2      GLN  49   7.771 -12.268  -6.274
  361   2HE2  GLN  49          2HE2      GLN  49   9.501 -12.341  -6.242
  362    H    ASP  50           H        ASP  50   4.477 -11.379  -1.542
  363    HA   ASP  50           HA       ASP  50   2.887 -12.280  -3.662
  364   1HB   ASP  50          1HB       ASP  50   3.404 -13.723  -1.755
  365   2HB   ASP  50          2HB       ASP  50   2.679 -12.587  -0.634
  366    H    MET  51           H        MET  51   2.614  -9.800  -1.115
  367    HA   MET  51           HA       MET  51  -0.173  -9.504  -1.275
  368   1HB   MET  51          1HB       MET  51   2.067  -7.627  -0.338
  369   2HB   MET  51          2HB       MET  51   0.365  -7.303  -0.073
  370   1HG   MET  51          1HG       MET  51   1.913  -9.721   0.979
  371   2HG   MET  51          2HG       MET  51   1.364  -8.357   1.933
  372   1HE   MET  51          1HE       MET  51  -1.308  -7.738   2.202
  373   2HE   MET  51          2HE       MET  51  -2.074  -9.169   2.934
  374   3HE   MET  51          3HE       MET  51  -0.428  -8.693   3.419
  375    H    ILE  52           H        ILE  52   2.549  -7.406  -2.485
  376    HA   ILE  52           HA       ILE  52   1.062  -5.570  -3.832
  377    HB   ILE  52           HB       ILE  52   3.069  -5.315  -5.288
  378   1HG1  ILE  52          1HG1      ILE  52   5.083  -6.727  -4.357
  379   2HG1  ILE  52          2HG1      ILE  52   3.835  -7.875  -3.916
  380   1HG2  ILE  52          1HG2      ILE  52   4.492  -5.331  -2.837
  381   2HG2  ILE  52          2HG2      ILE  52   3.687  -3.963  -3.644
  382   3HG2  ILE  52          3HG2      ILE  52   2.795  -4.949  -2.461
  383   1HD1  ILE  52          1HD1      ILE  52   4.941  -7.286  -6.551
  384   2HD1  ILE  52          2HD1      ILE  52   3.890  -8.633  -6.049
  385   3HD1  ILE  52          3HD1      ILE  52   3.172  -7.083  -6.551
  386    H    ASN  53           H        ASN  53   2.216  -8.787  -5.031
  387    HA   ASN  53           HA       ASN  53   1.172  -8.494  -7.568
  388   1HB   ASN  53          1HB       ASN  53   2.436 -10.552  -5.991
  389   2HB   ASN  53          2HB       ASN  53   1.000 -11.265  -6.699
  390   1HD2  ASN  53          1HD2      ASN  53   2.133 -12.569  -8.082
  391   2HD2  ASN  53          2HD2      ASN  53   2.977 -11.993  -9.481
  392    H    GLU  54           H        GLU  54  -0.214  -9.516  -4.428
  393    HA   GLU  54           HA       GLU  54  -2.549 -10.639  -5.508
  394   1HB   GLU  54          1HB       GLU  54  -1.768 -11.247  -3.273
  395   2HB   GLU  54          2HB       GLU  54  -1.886  -9.587  -2.725
  396   1HG   GLU  54          1HG       GLU  54  -3.927 -10.330  -1.938
  397   2HG   GLU  54          2HG       GLU  54  -4.439  -9.880  -3.553
  398    H    VAL  55           H        VAL  55  -1.960  -7.508  -3.740
  399    HA   VAL  55           HA       VAL  55  -4.500  -6.476  -4.201
  400    HB   VAL  55           HB       VAL  55  -3.541  -4.369  -3.538
  401   1HG1  VAL  55          1HG1      VAL  55  -3.832  -5.534  -1.595
  402   2HG1  VAL  55          2HG1      VAL  55  -2.769  -6.869  -2.102
  403   3HG1  VAL  55          3HG1      VAL  55  -2.064  -5.340  -1.528
  404   1HG2  VAL  55          1HG2      VAL  55  -0.932  -5.676  -4.289
  405   2HG2  VAL  55          2HG2      VAL  55  -1.569  -4.078  -4.744
  406   3HG2  VAL  55          3HG2      VAL  55  -0.977  -4.362  -3.090
  407    H    ASP  56           H        ASP  56  -1.446  -6.296  -6.108
  408    HA   ASP  56           HA       ASP  56  -2.142  -4.433  -7.917
  409   1HB   ASP  56          1HB       ASP  56   0.051  -5.529  -7.898
  410   2HB   ASP  56          2HB       ASP  56  -0.664  -7.071  -8.323
  411    H    ALA  57           H        ALA  57  -4.104  -4.317  -9.034
  412    HA   ALA  57           HA       ALA  57  -5.266  -6.840  -9.973
  413   1HB   ALA  57          1HB       ALA  57  -6.580  -5.313  -8.440
  414   2HB   ALA  57          2HB       ALA  57  -6.561  -4.097  -9.740
  415   3HB   ALA  57          3HB       ALA  57  -7.370  -5.662  -9.995
  416    H    ASP  58           H        ASP  58  -4.346  -3.485 -10.949
  417    HA   ASP  58           HA       ASP  58  -5.188  -3.528 -13.508
  418   1HB   ASP  58          1HB       ASP  58  -3.138  -2.036 -13.957
  419   2HB   ASP  58          2HB       ASP  58  -4.212  -1.520 -12.673
  420    H    GLY  59           H        GLY  59  -2.525  -5.285 -11.961
  421   1HA   GLY  59          1HA       GLY  59  -1.483  -7.157 -12.800
  422   2HA   GLY  59          2HA       GLY  59  -2.042  -6.772 -14.415
  423    H    ASP  60           H        ASP  60   0.630  -6.726 -12.277
  424    HA   ASP  60           HA       ASP  60   2.422  -5.989 -14.161
  425   1HB   ASP  60          1HB       ASP  60   3.101  -3.680 -13.296
  426   2HB   ASP  60          2HB       ASP  60   1.625  -3.730 -14.239
  427    H    GLY  61           H        GLY  61   1.616  -5.140 -10.705
  428   1HA   GLY  61          1HA       GLY  61   2.590  -6.618  -9.005
  429   2HA   GLY  61          2HA       GLY  61   4.106  -6.510  -9.878
  430    H    THR  62           H        THR  62   1.655  -3.953  -9.084
  431    HA   THR  62           HA       THR  62   3.528  -2.739  -7.223
  432    HB   THR  62           HB       THR  62   2.476  -1.208  -9.654
  433    HG1  THR  62           HG1      THR  62   5.049  -2.460  -8.987
  434   1HG2  THR  62          1HG2      THR  62   4.192  -0.598  -7.275
  435   2HG2  THR  62          2HG2      THR  62   4.828  -0.041  -8.842
  436   3HG2  THR  62          3HG2      THR  62   3.228   0.506  -8.284
  437    H    ILE  63           H        ILE  63   2.499  -0.748  -6.175
  438    HA   ILE  63           HA       ILE  63  -0.363  -1.333  -5.868
  439    HB   ILE  63           HB       ILE  63   1.522  -0.122  -3.845
  440   1HG1  ILE  63          1HG1      ILE  63   0.538  -2.981  -4.089
  441   2HG1  ILE  63          2HG1      ILE  63   2.183  -2.428  -4.338
  442   1HG2  ILE  63          1HG2      ILE  63  -0.576   0.607  -3.221
  443   2HG2  ILE  63          2HG2      ILE  63  -1.390  -0.850  -3.839
  444   3HG2  ILE  63          3HG2      ILE  63  -0.446  -0.930  -2.332
  445   1HD1  ILE  63          1HD1      ILE  63   0.839  -3.077  -1.847
  446   2HD1  ILE  63          2HD1      ILE  63   2.558  -2.709  -2.125
  447   3HD1  ILE  63          3HD1      ILE  63   1.406  -1.390  -1.802
  448    H    ASP  64           H        ASP  64  -1.527   0.760  -4.907
  449    HA   ASP  64           HA       ASP  64  -0.463   3.210  -5.782
  450   1HB   ASP  64          1HB       ASP  64  -2.699   1.917  -7.405
  451   2HB   ASP  64          2HB       ASP  64  -2.377   3.639  -7.448
  452    H    PHE  65           H        PHE  65  -2.743   4.784  -5.950
  453    HA   PHE  65           HA       PHE  65  -3.652   4.964  -3.381
  454   1HB   PHE  65          1HB       PHE  65  -3.971   6.219  -5.905
  455   2HB   PHE  65          2HB       PHE  65  -5.604   5.728  -5.501
  456    HD1  PHE  65           HD1      PHE  65  -2.966   6.820  -3.130
  457    HD2  PHE  65           HD2      PHE  65  -6.616   7.798  -5.062
  458    HE1  PHE  65           HE1      PHE  65  -3.207   8.837  -1.655
  459    HE2  PHE  65           HE2      PHE  65  -6.857   9.814  -3.587
  460    HZ   PHE  65           HZ       PHE  65  -5.149  10.309  -1.901
  461    HA   PRO  66           HA       PRO  66  -7.447   2.449  -4.695
  462   1HB   PRO  66          1HB       PRO  66  -7.448   1.112  -7.078
  463   2HB   PRO  66          2HB       PRO  66  -8.168   2.695  -6.867
  464   1HG   PRO  66          1HG       PRO  66  -5.625   1.979  -8.192
  465   2HG   PRO  66          2HG       PRO  66  -6.560   3.454  -8.336
  466   1HD   PRO  66          1HD       PRO  66  -4.150   3.089  -6.823
  467   2HD   PRO  66          2HD       PRO  66  -5.148   4.529  -6.874
  468    H    GLU  67           H        GLU  67  -4.965   0.651  -6.465
  469    HA   GLU  67           HA       GLU  67  -5.447  -1.782  -5.647
  470   1HB   GLU  67          1HB       GLU  67  -2.694  -0.467  -5.647
  471   2HB   GLU  67          2HB       GLU  67  -2.960  -2.199  -5.657
  472   1HG   GLU  67          1HG       GLU  67  -4.342  -1.888  -7.788
  473   2HG   GLU  67          2HG       GLU  67  -3.830  -0.212  -7.804
  474    H    PHE  68           H        PHE  68  -3.520   0.573  -3.653
  475    HA   PHE  68           HA       PHE  68  -3.268  -1.154  -1.462
  476   1HB   PHE  68          1HB       PHE  68  -2.168   1.191  -2.264
  477   2HB   PHE  68          2HB       PHE  68  -3.439   1.884  -1.277
  478    HD1  PHE  68           HD1      PHE  68  -2.303   2.785   0.546
  479    HD2  PHE  68           HD2      PHE  68  -1.445  -1.195  -0.650
  480    HE1  PHE  68           HE1      PHE  68  -0.882   2.477   2.592
  481    HE2  PHE  68           HE2      PHE  68  -0.024  -1.504   1.396
  482    HZ   PHE  68           HZ       PHE  68   0.240   0.336   2.993
  483    H    LEU  69           H        LEU  69  -5.573   1.554  -2.181
  484    HA   LEU  69           HA       LEU  69  -6.917   1.744   0.128
  485   1HB   LEU  69          1HB       LEU  69  -7.913   3.151  -1.250
  486   2HB   LEU  69          2HB       LEU  69  -7.446   2.229  -2.665
  487    HG   LEU  69           HG       LEU  69  -9.408   0.786  -2.415
  488   1HD1  LEU  69          1HD1      LEU  69 -10.260   0.517  -0.375
  489   2HD1  LEU  69          2HD1      LEU  69  -9.526   2.025   0.221
  490   3HD1  LEU  69          3HD1      LEU  69 -11.091   2.071  -0.626
  491   1HD2  LEU  69          1HD2      LEU  69 -10.889   2.238  -3.383
  492   2HD2  LEU  69          2HD2      LEU  69 -10.545   3.545  -2.225
  493   3HD2  LEU  69          3HD2      LEU  69  -9.386   3.180  -3.525
  494    H    THR  70           H        THR  70  -7.442  -0.800  -2.396
  495    HA   THR  70           HA       THR  70  -9.441  -2.127  -0.871
  496    HB   THR  70           HB       THR  70  -7.746  -2.760  -3.327
  497    HG1  THR  70           HG1      THR  70  -9.965  -2.513  -4.190
  498   1HG2  THR  70          1HG2      THR  70 -10.081  -4.420  -2.255
  499   2HG2  THR  70          2HG2      THR  70  -9.071  -4.766  -3.680
  500   3HG2  THR  70          3HG2      THR  70  -8.382  -4.907  -2.045
  501    H    MET  71           H        MET  71  -5.886  -2.495  -1.233
  502    HA   MET  71           HA       MET  71  -5.637  -4.898   0.033
  503   1HB   MET  71          1HB       MET  71  -3.812  -3.593  -1.127
  504   2HB   MET  71          2HB       MET  71  -3.806  -2.438   0.190
  505   1HG   MET  71          1HG       MET  71  -3.321  -4.466   1.751
  506   2HG   MET  71          2HG       MET  71  -2.988  -5.372   0.288
  507   1HE   MET  71          1HE       MET  71   0.289  -4.216   2.273
  508   2HE   MET  71          2HE       MET  71  -1.019  -3.227   2.965
  509   3HE   MET  71          3HE       MET  71  -1.285  -4.957   2.645
  510    H    MET  72           H        MET  72  -5.326  -1.593   1.533
  511    HA   MET  72           HA       MET  72  -5.057  -2.515   4.110
  512   1HB   MET  72          1HB       MET  72  -4.680  -0.147   3.162
  513   2HB   MET  72          2HB       MET  72  -6.417   0.080   3.202
  514   1HG   MET  72          1HG       MET  72  -6.506   0.124   5.550
  515   2HG   MET  72          2HG       MET  72  -5.069  -0.862   5.733
  516   1HE   MET  72          1HE       MET  72  -2.499   0.534   4.429
  517   2HE   MET  72          2HE       MET  72  -2.225   1.368   5.978
  518   3HE   MET  72          3HE       MET  72  -2.952  -0.257   5.958
  519    H    ALA  73           H        ALA  73  -8.038  -1.162   2.510
  520    HA   ALA  73           HA       ALA  73  -9.813  -1.513   4.522
  521   1HB   ALA  73          1HB       ALA  73 -11.414  -1.171   2.898
  522   2HB   ALA  73          2HB       ALA  73  -9.969  -0.681   1.982
  523   3HB   ALA  73          3HB       ALA  73 -10.657  -2.307   1.756
  524    H    ARG  74           H        ARG  74  -8.960  -3.977   1.986
  525    HA   ARG  74           HA       ARG  74 -10.542  -5.953   3.057
  526   1HB   ARG  74          1HB       ARG  74  -8.045  -5.986   1.319
  527   2HB   ARG  74          2HB       ARG  74  -8.798  -7.490   1.810
  528   1HG   ARG  74          1HG       ARG  74 -10.697  -5.459   0.740
  529   2HG   ARG  74          2HG       ARG  74  -9.517  -6.028  -0.424
  530   1HD   ARG  74          1HD       ARG  74 -11.194  -7.920   1.290
  531   2HD   ARG  74          2HD       ARG  74 -11.697  -7.381  -0.300
  532    HE   ARG  74           HE       ARG  74  -9.860  -8.593  -1.290
  533   1HH1  ARG  74          2HH2      ARG  74 -10.036  -8.973   2.204
  534   2HH1  ARG  74          1HH2      ARG  74  -9.010 -10.368   2.232
  535   1HH2  ARG  74          2HH1      ARG  74  -8.507 -10.434  -1.253
  536   2HH2  ARG  74          1HH1      ARG  74  -8.135 -11.205   0.252
  537    H    LYS  75           H        LYS  75  -7.391  -4.687   4.007
  538    HA   LYS  75           HA       LYS  75  -6.382  -6.920   5.341
  539   1HB   LYS  75          1HB       LYS  75  -5.299  -4.634   4.673
  540   2HB   LYS  75          2HB       LYS  75  -5.864  -4.096   6.241
  541   1HG   LYS  75          1HG       LYS  75  -3.601  -4.938   6.518
  542   2HG   LYS  75          2HG       LYS  75  -4.690  -6.065   7.302
  543   1HD   LYS  75          1HD       LYS  75  -4.151  -6.637   4.421
  544   2HD   LYS  75          2HD       LYS  75  -2.760  -6.792   5.476
  545   1HE   LYS  75          1HE       LYS  75  -4.796  -8.059   6.932
  546   2HE   LYS  75          2HE       LYS  75  -5.162  -8.504   5.277
  547   1HZ   LYS  75          1HZ       LYS  75  -2.434  -8.716   6.303
  548   2HZ   LYS  75          2HZ       LYS  75  -3.518  -9.911   6.556
  549   3HZ   LYS  75          3HZ       LYS  75  -3.106  -9.491   5.033
  550    H    MET  76           H        MET  76  -8.169  -4.041   6.666
  551    HA   MET  76           HA       MET  76  -8.396  -5.114   9.205
  552   1HB   MET  76          1HB       MET  76 -10.136  -3.332   9.494
  553   2HB   MET  76          2HB       MET  76  -8.743  -2.707   8.633
  554   1HG   MET  76          1HG       MET  76  -9.887  -2.540   6.603
  555   2HG   MET  76          2HG       MET  76 -10.946  -3.890   6.959
  556   1HE   MET  76          1HE       MET  76 -13.415  -2.417   6.350
  557   2HE   MET  76          2HE       MET  76 -13.034  -3.793   7.412
  558   3HE   MET  76          3HE       MET  76 -14.047  -2.458   8.013
  559    H    LYS  77           H        LYS  77 -10.143  -5.778   6.233
  560    HA   LYS  77           HA       LYS  77 -12.572  -6.629   7.307
  561   1HB   LYS  77          1HB       LYS  77 -12.111  -6.126   4.912
  562   2HB   LYS  77          2HB       LYS  77 -11.167  -7.597   4.800
  563   1HG   LYS  77          1HG       LYS  77 -13.266  -8.841   5.675
  564   2HG   LYS  77          2HG       LYS  77 -14.146  -7.352   5.393
  565   1HD   LYS  77          1HD       LYS  77 -12.453  -8.202   3.100
  566   2HD   LYS  77          2HD       LYS  77 -13.729  -9.335   3.498
  567   1HE   LYS  77          1HE       LYS  77 -15.417  -7.505   3.372
  568   2HE   LYS  77          2HE       LYS  77 -14.151  -6.345   3.024
  569   1HZ   LYS  77          1HZ       LYS  77 -14.143  -8.624   1.301
  570   2HZ   LYS  77          2HZ       LYS  77 -15.494  -7.714   1.181
  571   3HZ   LYS  77          3HZ       LYS  77 -14.029  -7.038   0.931
  572    H    ASP  78           H        ASP  78  -9.687  -8.602   6.294
  573    HA   ASP  78           HA       ASP  78 -10.646 -10.973   7.243
  574   1HB   ASP  78          1HB       ASP  78  -8.670 -10.903   5.846
  575   2HB   ASP  78          2HB       ASP  78  -7.820  -9.872   6.979
  576    H    THR  79           H        THR  79  -8.233  -8.718   8.809
  577    HA   THR  79           HA       THR  79  -8.186 -10.045  11.274
  578    HB   THR  79           HB       THR  79  -6.617  -8.229  10.141
  579    HG1  THR  79           HG1      THR  79  -7.516  -8.501  12.907
  580   1HG2  THR  79          1HG2      THR  79  -8.811  -6.572  10.610
  581   2HG2  THR  79          2HG2      THR  79  -7.825  -6.319  12.070
  582   3HG2  THR  79          3HG2      THR  79  -7.130  -6.008  10.461
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1 -19.754   6.658   0.074
    2    HA   ALA   1           HA       ALA   1 -20.224   3.962  -0.042
    3   1HB   ALA   1          1HB       ALA   1 -17.524   4.341   1.249
    4   2HB   ALA   1          2HB       ALA   1 -18.278   2.856   0.621
    5   3HB   ALA   1          3HB       ALA   1 -17.637   4.074  -0.507
    6    H    ASP   2           H        ASP   2 -18.993   6.781   1.773
    7    HA   ASP   2           HA       ASP   2 -19.316   7.475   3.813
    8   1HB   ASP   2          1HB       ASP   2 -22.055   6.190   3.387
    9   2HB   ASP   2          2HB       ASP   2 -21.696   7.359   4.642
   10    H    GLN   3           H        GLN   3 -18.187   4.744   3.571
   11    HA   GLN   3           HA       GLN   3 -19.329   3.516   5.956
   12   1HB   GLN   3          1HB       GLN   3 -18.526   2.431   3.388
   13   2HB   GLN   3          2HB       GLN   3 -17.555   1.696   4.649
   14   1HG   GLN   3          1HG       GLN   3 -20.319   1.871   5.545
   15   2HG   GLN   3          2HG       GLN   3 -20.269   1.107   3.968
   16   1HE2  GLN   3          1HE2      GLN   3 -19.888  -0.970   3.882
   17   2HE2  GLN   3          2HE2      GLN   3 -19.151  -1.952   5.104
   18    H    LEU   4           H        LEU   4 -16.284   4.415   4.241
   19    HA   LEU   4           HA       LEU   4 -15.015   5.153   6.625
   20   1HB   LEU   4          1HB       LEU   4 -13.562   3.446   7.112
   21   2HB   LEU   4          2HB       LEU   4 -15.064   2.601   6.794
   22    HG   LEU   4           HG       LEU   4 -13.893   2.583   4.310
   23   1HD1  LEU   4          1HD1      LEU   4 -11.817   3.344   6.029
   24   2HD1  LEU   4          2HD1      LEU   4 -11.553   1.613   5.707
   25   3HD1  LEU   4          3HD1      LEU   4 -11.680   2.760   4.352
   26   1HD2  LEU   4          1HD2      LEU   4 -13.024   0.250   5.711
   27   2HD2  LEU   4          2HD2      LEU   4 -14.616   0.735   6.343
   28   3HD2  LEU   4          3HD2      LEU   4 -14.401   0.446   4.600
   29    H    THR   5           H        THR   5 -14.747   3.958   3.245
   30    HA   THR   5           HA       THR   5 -12.351   4.896   2.465
   31    HB   THR   5           HB       THR   5 -14.914   4.237   1.282
   32    HG1  THR   5           HG1      THR   5 -13.258   3.128   0.324
   33   1HG2  THR   5          1HG2      THR   5 -14.944   5.637  -0.667
   34   2HG2  THR   5          2HG2      THR   5 -14.788   6.783   0.686
   35   3HG2  THR   5          3HG2      THR   5 -13.357   6.345  -0.278
   36    H    GLU   6           H        GLU   6 -15.125   6.854   3.476
   37    HA   GLU   6           HA       GLU   6 -14.262   9.234   2.340
   38   1HB   GLU   6          1HB       GLU   6 -16.542   8.934   3.184
   39   2HB   GLU   6          2HB       GLU   6 -15.955   8.690   4.816
   40   1HG   GLU   6          1HG       GLU   6 -15.877  10.927   5.198
   41   2HG   GLU   6          2HG       GLU   6 -14.885  11.190   3.777
   42    H    GLU   7           H        GLU   7 -13.968   8.068   5.780
   43    HA   GLU   7           HA       GLU   7 -12.188  10.153   6.418
   44   1HB   GLU   7          1HB       GLU   7 -11.901   8.859   8.566
   45   2HB   GLU   7          2HB       GLU   7 -13.570   9.208   8.162
   46   1HG   GLU   7          1HG       GLU   7 -14.085   6.990   7.731
   47   2HG   GLU   7          2HG       GLU   7 -12.497   6.630   7.084
   48    H    GLN   8           H        GLN   8 -11.871   6.953   5.002
   49    HA   GLN   8           HA       GLN   8  -9.202   6.533   5.772
   50   1HB   GLN   8          1HB       GLN   8 -10.858   4.767   4.997
   51   2HB   GLN   8          2HB       GLN   8 -10.666   5.372   3.364
   52   1HG   GLN   8          1HG       GLN   8  -8.067   4.884   4.669
   53   2HG   GLN   8          2HG       GLN   8  -9.057   3.438   4.622
   54   1HE2  GLN   8          1HE2      GLN   8  -8.926   2.245   2.889
   55   2HE2  GLN   8          2HE2      GLN   8  -8.449   2.743   1.300
   56    H    ILE   9           H        ILE   9 -10.670   7.427   2.558
   57    HA   ILE   9           HA       ILE   9  -8.303   7.949   1.262
   58    HB   ILE   9           HB       ILE   9  -9.648   9.250  -0.291
   59   1HG1  ILE   9          1HG1      ILE   9 -12.249   9.167   0.477
   60   2HG1  ILE   9          2HG1      ILE   9 -11.487   9.428   2.033
   61   1HG2  ILE   9          1HG2      ILE   9 -10.338   6.560   0.652
   62   2HG2  ILE   9          2HG2      ILE   9 -11.641   7.359  -0.261
   63   3HG2  ILE   9          3HG2      ILE   9 -10.030   7.163  -0.994
   64   1HD1  ILE   9          1HD1      ILE   9 -11.654  11.240  -0.324
   65   2HD1  ILE   9          2HD1      ILE   9 -11.554  11.633   1.409
   66   3HD1  ILE   9          3HD1      ILE   9 -10.078  11.220   0.503
   67    H    ALA  10           H        ALA  10  -9.963   9.768   3.774
   68    HA   ALA  10           HA       ALA  10  -8.908  12.297   3.242
   69   1HB   ALA  10          1HB       ALA  10 -10.782  11.616   4.838
   70   2HB   ALA  10          2HB       ALA  10  -9.508  11.118   5.977
   71   3HB   ALA  10          3HB       ALA  10  -9.628  12.818   5.464
   72    H    GLU  11           H        GLU  11  -7.782   9.777   5.617
   73    HA   GLU  11           HA       GLU  11  -5.385  11.170   6.071
   74   1HB   GLU  11          1HB       GLU  11  -6.626   8.602   6.929
   75   2HB   GLU  11          2HB       GLU  11  -4.874   8.615   6.954
   76   1HG   GLU  11          1HG       GLU  11  -4.773  10.396   8.521
   77   2HG   GLU  11          2HG       GLU  11  -6.398  10.943   8.157
   78    H    PHE  12           H        PHE  12  -6.306   8.287   4.094
   79    HA   PHE  12           HA       PHE  12  -3.860   7.433   3.297
   80   1HB   PHE  12          1HB       PHE  12  -6.664   7.573   2.249
   81   2HB   PHE  12          2HB       PHE  12  -5.470   7.342   0.988
   82    HD1  PHE  12           HD1      PHE  12  -5.630   6.006   4.470
   83    HD2  PHE  12           HD2      PHE  12  -5.597   5.135   0.317
   84    HE1  PHE  12           HE1      PHE  12  -5.560   3.550   4.986
   85    HE2  PHE  12           HE2      PHE  12  -5.527   2.679   0.833
   86    HZ   PHE  12           HZ       PHE  12  -5.510   1.916   3.161
   87    H    LYS  13           H        LYS  13  -5.593  10.384   2.303
   88    HA   LYS  13           HA       LYS  13  -4.163  10.914  -0.026
   89   1HB   LYS  13          1HB       LYS  13  -6.303  12.006   1.070
   90   2HB   LYS  13          2HB       LYS  13  -5.138  13.115   1.766
   91   1HG   LYS  13          1HG       LYS  13  -4.512  13.995  -0.308
   92   2HG   LYS  13          2HG       LYS  13  -4.877  12.515  -1.173
   93   1HD   LYS  13          1HD       LYS  13  -7.386  13.189  -0.257
   94   2HD   LYS  13          2HD       LYS  13  -6.680  14.781  -0.445
   95   1HE   LYS  13          1HE       LYS  13  -5.948  13.227  -2.763
   96   2HE   LYS  13          2HE       LYS  13  -7.666  13.007  -2.501
   97   1HZ   LYS  13          1HZ       LYS  13  -7.677  14.932  -3.642
   98   2HZ   LYS  13          2HZ       LYS  13  -7.526  15.579  -2.150
   99   3HZ   LYS  13          3HZ       LYS  13  -6.215  15.431  -3.112
  100    H    GLU  14           H        GLU  14  -3.631  12.161   3.349
  101    HA   GLU  14           HA       GLU  14  -1.175  13.316   2.610
  102   1HB   GLU  14          1HB       GLU  14  -2.517  14.202   4.469
  103   2HB   GLU  14          2HB       GLU  14  -2.380  12.688   5.340
  104   1HG   GLU  14          1HG       GLU  14   0.293  13.378   4.758
  105   2HG   GLU  14          2HG       GLU  14  -0.460  14.910   5.155
  106    H    ALA  15           H        ALA  15  -2.199  10.208   4.076
  107    HA   ALA  15           HA       ALA  15   0.296   9.341   4.943
  108   1HB   ALA  15          1HB       ALA  15  -1.980   8.362   5.454
  109   2HB   ALA  15          2HB       ALA  15  -1.967   7.642   3.826
  110   3HB   ALA  15          3HB       ALA  15  -0.738   7.163   5.021
  111    H    PHE  16           H        PHE  16  -1.406   8.907   1.770
  112    HA   PHE  16           HA       PHE  16   0.183   7.280   0.432
  113   1HB   PHE  16          1HB       PHE  16  -1.614   8.384  -0.725
  114   2HB   PHE  16          2HB       PHE  16  -1.086   9.974  -0.209
  115    HD1  PHE  16           HD1      PHE  16  -0.381   7.215  -2.557
  116    HD2  PHE  16           HD2      PHE  16   0.437  11.248  -1.519
  117    HE1  PHE  16           HE1      PHE  16   0.766   7.551  -4.764
  118    HE2  PHE  16           HE2      PHE  16   1.584  11.583  -3.726
  119    HZ   PHE  16           HZ       PHE  16   1.735   9.731  -5.322
  120    H    SER  17           H        SER  17   0.946  10.784   0.990
  121    HA   SER  17           HA       SER  17   3.155  11.063  -0.448
  122   1HB   SER  17          1HB       SER  17   2.298  12.885   0.889
  123   2HB   SER  17          2HB       SER  17   2.594  12.022   2.384
  124    HG   SER  17           HG       SER  17   4.225  13.658   1.923
  125    H    LEU  18           H        LEU  18   2.923   9.463   2.789
  126    HA   LEU  18           HA       LEU  18   5.702   8.936   2.949
  127   1HB   LEU  18          1HB       LEU  18   3.311   7.819   4.414
  128   2HB   LEU  18          2HB       LEU  18   4.970   7.401   4.795
  129    HG   LEU  18           HG       LEU  18   4.055  10.274   4.796
  130   1HD1  LEU  18          1HD1      LEU  18   2.492   9.375   6.281
  131   2HD1  LEU  18          2HD1      LEU  18   3.650   8.196   6.940
  132   3HD1  LEU  18          3HD1      LEU  18   3.820   9.924   7.331
  133   1HD2  LEU  18          1HD2      LEU  18   6.134   9.124   6.614
  134   2HD2  LEU  18          2HD2      LEU  18   6.536   9.390   4.900
  135   3HD2  LEU  18          3HD2      LEU  18   5.997  10.754   5.911
  136    H    PHE  19           H        PHE  19   2.845   6.764   2.352
  137    HA   PHE  19           HA       PHE  19   4.177   4.483   1.792
  138   1HB   PHE  19          1HB       PHE  19   1.739   5.828   0.493
  139   2HB   PHE  19          2HB       PHE  19   2.152   4.158   0.158
  140    HD1  PHE  19           HD1      PHE  19  -0.145   5.894   1.815
  141    HD2  PHE  19           HD2      PHE  19   2.852   3.023   2.699
  142    HE1  PHE  19           HE1      PHE  19  -1.439   5.168   3.839
  143    HE2  PHE  19           HE2      PHE  19   1.558   2.297   4.724
  144    HZ   PHE  19           HZ       PHE  19  -0.572   3.377   5.269
  145    H    ASP  20           H        ASP  20   3.340   7.101  -0.586
  146    HA   ASP  20           HA       ASP  20   4.908   5.747  -2.565
  147   1HB   ASP  20          1HB       ASP  20   2.680   7.201  -2.811
  148   2HB   ASP  20          2HB       ASP  20   3.801   8.547  -2.879
  149    H    LYS  21           H        LYS  21   6.783   6.152  -0.774
  150    HA   LYS  21           HA       LYS  21   7.806   8.748  -0.496
  151   1HB   LYS  21          1HB       LYS  21   9.833   7.570   0.334
  152   2HB   LYS  21          2HB       LYS  21   8.348   7.052   1.107
  153   1HG   LYS  21          1HG       LYS  21   8.454   5.288  -1.008
  154   2HG   LYS  21          2HG       LYS  21  10.164   5.541  -0.718
  155   1HD   LYS  21          1HD       LYS  21   9.430   3.659   0.647
  156   2HD   LYS  21          2HD       LYS  21   9.809   4.995   1.715
  157   1HE   LYS  21          1HE       LYS  21   7.002   5.093   0.843
  158   2HE   LYS  21          2HE       LYS  21   7.376   3.561   1.607
  159   1HZ   LYS  21          1HZ       LYS  21   6.697   5.376   3.126
  160   2HZ   LYS  21          2HZ       LYS  21   8.118   4.675   3.520
  161   3HZ   LYS  21          3HZ       LYS  21   8.103   6.141   2.801
  162    H    ASP  22           H        ASP  22   7.735   6.551  -3.165
  163    HA   ASP  22           HA       ASP  22  10.170   7.245  -4.328
  164   1HB   ASP  22          1HB       ASP  22   8.042   5.510  -4.886
  165   2HB   ASP  22          2HB       ASP  22   7.954   6.662  -6.204
  166    H    GLY  23           H        GLY  23   6.765   8.453  -4.624
  167   1HA   GLY  23          1HA       GLY  23   6.076  10.581  -5.094
  168   2HA   GLY  23          2HA       GLY  23   7.719  11.048  -5.486
  169    H    ASP  24           H        ASP  24   5.982   8.194  -6.827
  170    HA   ASP  24           HA       ASP  24   5.935   9.604  -9.377
  171   1HB   ASP  24          1HB       ASP  24   6.289   7.215 -10.363
  172   2HB   ASP  24          2HB       ASP  24   7.682   8.052  -9.706
  173    H    GLY  25           H        GLY  25   4.032   8.698  -6.967
  174   1HA   GLY  25          1HA       GLY  25   1.817   8.266  -6.845
  175   2HA   GLY  25          2HA       GLY  25   1.742   8.177  -8.593
  176    H    THR  26           H        THR  26   4.276   6.159  -7.643
  177    HA   THR  26           HA       THR  26   2.465   3.837  -7.511
  178    HB   THR  26           HB       THR  26   5.236   4.054  -8.800
  179    HG1  THR  26           HG1      THR  26   2.535   3.809  -9.913
  180   1HG2  THR  26          1HG2      THR  26   4.696   1.723  -8.222
  181   2HG2  THR  26          2HG2      THR  26   3.040   1.919  -8.844
  182   3HG2  THR  26          3HG2      THR  26   4.421   1.946  -9.967
  183    H    ILE  27           H        ILE  27   2.700   2.410  -5.874
  184    HA   ILE  27           HA       ILE  27   4.842   3.046  -3.980
  185    HB   ILE  27           HB       ILE  27   2.071   1.953  -3.719
  186   1HG1  ILE  27          1HG1      ILE  27   2.189   3.590  -1.731
  187   2HG1  ILE  27          2HG1      ILE  27   3.678   4.172  -2.449
  188   1HG2  ILE  27          1HG2      ILE  27   4.408   1.042  -2.204
  189   2HG2  ILE  27          2HG2      ILE  27   3.103   1.691  -1.182
  190   3HG2  ILE  27          3HG2      ILE  27   2.768   0.360  -2.316
  191   1HD1  ILE  27          1HD1      ILE  27   2.442   5.481  -3.819
  192   2HD1  ILE  27          2HD1      ILE  27   1.822   4.005  -4.598
  193   3HD1  ILE  27          3HD1      ILE  27   0.937   4.731  -3.236
  194    H    THR  28           H        THR  28   6.509   1.921  -5.144
  195    HA   THR  28           HA       THR  28   6.289  -0.688  -6.070
  196    HB   THR  28           HB       THR  28   8.661   0.922  -4.992
  197    HG1  THR  28           HG1      THR  28   7.136   1.512  -6.924
  198   1HG2  THR  28          1HG2      THR  28   9.374  -1.418  -5.178
  199   2HG2  THR  28          2HG2      THR  28   8.514  -1.597  -6.726
  200   3HG2  THR  28          3HG2      THR  28   9.954  -0.555  -6.623
  201    H    THR  29           H        THR  29   6.864  -2.729  -5.239
  202    HA   THR  29           HA       THR  29   5.873  -3.402  -2.817
  203    HB   THR  29           HB       THR  29   7.175  -5.484  -3.119
  204    HG1  THR  29           HG1      THR  29   9.245  -4.702  -3.631
  205   1HG2  THR  29          1HG2      THR  29   6.459  -6.089  -5.282
  206   2HG2  THR  29          2HG2      THR  29   5.415  -4.681  -4.974
  207   3HG2  THR  29          3HG2      THR  29   6.879  -4.502  -5.970
  208    H    LYS  30           H        LYS  30   9.247  -2.327  -3.493
  209    HA   LYS  30           HA       LYS  30  10.176  -2.761  -0.895
  210   1HB   LYS  30          1HB       LYS  30  12.108  -1.656  -1.583
  211   2HB   LYS  30          2HB       LYS  30  11.478  -2.341  -3.067
  212   1HG   LYS  30          1HG       LYS  30  10.391  -0.146  -3.610
  213   2HG   LYS  30          2HG       LYS  30  11.042   0.536  -2.133
  214   1HD   LYS  30          1HD       LYS  30  13.005   0.987  -3.171
  215   2HD   LYS  30          2HD       LYS  30  13.225  -0.711  -3.545
  216   1HE   LYS  30          1HE       LYS  30  11.961  -0.495  -5.627
  217   2HE   LYS  30          2HE       LYS  30  11.460   1.134  -5.218
  218   1HZ   LYS  30          1HZ       LYS  30  13.285   1.824  -6.204
  219   2HZ   LYS  30          2HZ       LYS  30  14.202   1.097  -5.066
  220   3HZ   LYS  30          3HZ       LYS  30  13.828   0.303  -6.443
  221    H    GLU  31           H        GLU  31   8.570   0.051  -2.474
  222    HA   GLU  31           HA       GLU  31   8.914   1.772  -0.322
  223   1HB   GLU  31          1HB       GLU  31   6.856   1.686  -2.564
  224   2HB   GLU  31          2HB       GLU  31   6.931   2.999  -1.406
  225   1HG   GLU  31          1HG       GLU  31   8.989   3.786  -2.207
  226   2HG   GLU  31          2HG       GLU  31   9.493   2.210  -2.784
  227    H    LEU  32           H        LEU  32   6.616  -0.845  -0.979
  228    HA   LEU  32           HA       LEU  32   4.621  -0.054   0.827
  229   1HB   LEU  32          1HB       LEU  32   4.146  -1.631  -0.883
  230   2HB   LEU  32          2HB       LEU  32   5.423  -2.708  -0.353
  231    HG   LEU  32           HG       LEU  32   2.922  -2.078   1.239
  232   1HD1  LEU  32          1HD1      LEU  32   1.860  -3.860   0.345
  233   2HD1  LEU  32          2HD1      LEU  32   2.926  -3.512  -1.039
  234   3HD1  LEU  32          3HD1      LEU  32   3.362  -4.789   0.122
  235   1HD2  LEU  32          1HD2      LEU  32   5.387  -3.626   1.820
  236   2HD2  LEU  32          2HD2      LEU  32   4.286  -2.753   2.913
  237   3HD2  LEU  32          3HD2      LEU  32   3.842  -4.365   2.304
  238    H    GLY  33           H        GLY  33   7.442  -2.312   1.166
  239   1HA   GLY  33          1HA       GLY  33   6.989  -2.887   3.888
  240   2HA   GLY  33          2HA       GLY  33   8.479  -3.111   2.995
  241    H    THR  34           H        THR  34   8.895  -0.347   2.169
  242    HA   THR  34           HA       THR  34  10.452   0.632   4.146
  243    HB   THR  34           HB       THR  34   8.760   2.224   2.147
  244    HG1  THR  34           HG1      THR  34  11.423   0.987   2.092
  245   1HG2  THR  34          1HG2      THR  34  11.265   2.804   3.763
  246   2HG2  THR  34          2HG2      THR  34  11.095   3.495   2.132
  247   3HG2  THR  34          3HG2      THR  34   9.902   3.887   3.393
  248    H    VAL  35           H        VAL  35   6.984   1.567   3.638
  249    HA   VAL  35           HA       VAL  35   6.888   3.192   5.912
  250    HB   VAL  35           HB       VAL  35   4.605   1.681   4.638
  251   1HG1  VAL  35          1HG1      VAL  35   4.469   4.493   5.689
  252   2HG1  VAL  35          2HG1      VAL  35   3.186   3.266   5.545
  253   3HG1  VAL  35          3HG1      VAL  35   4.413   3.125   6.827
  254   1HG2  VAL  35          1HG2      VAL  35   4.833   2.821   2.733
  255   2HG2  VAL  35          2HG2      VAL  35   4.951   4.365   3.612
  256   3HG2  VAL  35          3HG2      VAL  35   6.414   3.393   3.320
  257    H    MET  36           H        MET  36   5.698  -0.206   5.384
  258    HA   MET  36           HA       MET  36   4.712  -0.827   7.721
  259   1HB   MET  36          1HB       MET  36   6.790  -2.417   6.121
  260   2HB   MET  36          2HB       MET  36   5.833  -3.134   7.402
  261   1HG   MET  36          1HG       MET  36   4.467  -1.660   5.122
  262   2HG   MET  36          2HG       MET  36   4.983  -3.321   4.913
  263   1HE   MET  36          1HE       MET  36   2.363  -0.968   6.953
  264   2HE   MET  36          2HE       MET  36   2.296  -1.389   5.225
  265   3HE   MET  36          3HE       MET  36   1.111  -2.084   6.357
  266    H    ARG  37           H        ARG  37   8.286  -0.815   7.068
  267    HA   ARG  37           HA       ARG  37   9.116  -1.645   9.498
  268   1HB   ARG  37          1HB       ARG  37  10.331   0.401   7.584
  269   2HB   ARG  37          2HB       ARG  37  11.193  -0.170   8.999
  270   1HG   ARG  37          1HG       ARG  37  11.810  -2.060   7.913
  271   2HG   ARG  37          2HG       ARG  37  10.134  -2.474   7.615
  272   1HD   ARG  37          1HD       ARG  37  10.862  -2.260   5.415
  273   2HD   ARG  37          2HD       ARG  37  10.344  -0.610   5.700
  274    HE   ARG  37           HE       ARG  37  12.600   0.094   5.754
  275   1HH1  ARG  37          2HH2      ARG  37  12.412  -3.420   5.719
  276   2HH1  ARG  37          1HH2      ARG  37  14.101  -3.635   5.399
  277   1HH2  ARG  37          2HH1      ARG  37  14.829  -0.189   5.332
  278   2HH2  ARG  37          1HH1      ARG  37  15.485  -1.785   5.178
  279    H    SER  38           H        SER  38   8.713   1.814   8.412
  280    HA   SER  38           HA       SER  38   9.382   3.127  10.603
  281   1HB   SER  38          1HB       SER  38   7.917   3.701   8.298
  282   2HB   SER  38          2HB       SER  38   6.783   4.092   9.576
  283    HG   SER  38           HG       SER  38   8.500   5.426  10.553
  284    H    LEU  39           H        LEU  39   6.573   1.004  10.211
  285    HA   LEU  39           HA       LEU  39   5.369   1.934  12.674
  286   1HB   LEU  39          1HB       LEU  39   4.598  -0.208  10.690
  287   2HB   LEU  39          2HB       LEU  39   3.687   0.167  12.140
  288    HG   LEU  39           HG       LEU  39   4.242   2.150   9.916
  289   1HD1  LEU  39          1HD1      LEU  39   2.838   0.702   8.827
  290   2HD1  LEU  39          2HD1      LEU  39   2.029   0.177  10.323
  291   3HD1  LEU  39          3HD1      LEU  39   1.653   1.768   9.619
  292   1HD2  LEU  39          1HD2      LEU  39   3.275   3.728  11.157
  293   2HD2  LEU  39          2HD2      LEU  39   1.955   2.646  11.661
  294   3HD2  LEU  39          3HD2      LEU  39   3.503   2.629  12.539
  295    H    GLY  40           H        GLY  40   7.951   1.168  13.210
  296   1HA   GLY  40          1HA       GLY  40   9.224  -0.251  14.411
  297   2HA   GLY  40          2HA       GLY  40   7.747  -0.580  15.294
  298    H    GLN  41           H        GLN  41   8.805  -1.349  11.898
  299    HA   GLN  41           HA       GLN  41   8.663  -4.149  12.612
  300   1HB   GLN  41          1HB       GLN  41   6.876  -2.731  10.664
  301   2HB   GLN  41          2HB       GLN  41   7.469  -4.308  10.183
  302   1HG   GLN  41          1HG       GLN  41   6.451  -4.123  12.990
  303   2HG   GLN  41          2HG       GLN  41   5.241  -3.921  11.738
  304   1HE2  GLN  41          1HE2      GLN  41   4.191  -5.738  11.500
  305   2HE2  GLN  41          2HE2      GLN  41   4.863  -7.327  11.354
  306    H    ASN  42           H        ASN  42   9.194  -5.369  10.225
  307    HA   ASN  42           HA       ASN  42  10.987  -3.959   8.618
  308   1HB   ASN  42          1HB       ASN  42  12.148  -4.767  11.044
  309   2HB   ASN  42          2HB       ASN  42  12.583  -6.074   9.961
  310   1HD2  ASN  42          1HD2      ASN  42  12.402  -2.522  10.076
  311   2HD2  ASN  42          2HD2      ASN  42  13.865  -2.196   9.207
  312    HA   PRO  43           HA       PRO  43   9.326  -8.067   7.338
  313   1HB   PRO  43          1HB       PRO  43   7.598  -7.238   5.391
  314   2HB   PRO  43          2HB       PRO  43   7.099  -7.568   7.038
  315   1HG   PRO  43          1HG       PRO  43   7.475  -4.957   5.703
  316   2HG   PRO  43          2HG       PRO  43   6.589  -5.322   7.170
  317   1HD   PRO  43          1HD       PRO  43   9.182  -4.109   6.987
  318   2HD   PRO  43          2HD       PRO  43   8.346  -4.580   8.454
  319    H    THR  44           H        THR  44   9.225  -9.099   5.036
  320    HA   THR  44           HA       THR  44  11.567  -7.962   3.659
  321    HB   THR  44           HB       THR  44  11.550 -10.487   2.791
  322    HG1  THR  44           HG1      THR  44   9.689 -11.291   3.766
  323   1HG2  THR  44          1HG2      THR  44  13.358  -9.720   4.271
  324   2HG2  THR  44          2HG2      THR  44  12.249  -9.685   5.663
  325   3HG2  THR  44          3HG2      THR  44  12.709 -11.240   4.930
  326    H    GLU  45           H        GLU  45  11.549  -7.606   1.453
  327    HA   GLU  45           HA       GLU  45   9.068  -6.962   0.395
  328   1HB   GLU  45          1HB       GLU  45  10.295  -6.435  -1.652
  329   2HB   GLU  45          2HB       GLU  45  11.227  -5.902  -0.267
  330   1HG   GLU  45          1HG       GLU  45  12.082  -8.555  -0.650
  331   2HG   GLU  45          2HG       GLU  45  11.882  -7.951  -2.283
  332    H    ALA  46           H        ALA  46  10.766  -9.982   0.625
  333    HA   ALA  46           HA       ALA  46   9.813 -11.220  -1.713
  334   1HB   ALA  46          1HB       ALA  46  11.155 -12.853  -0.945
  335   2HB   ALA  46          2HB       ALA  46  11.490 -11.828   0.471
  336   3HB   ALA  46          3HB       ALA  46  10.181 -13.032   0.534
  337    H    GLU  47           H        GLU  47   8.659 -11.335   1.735
  338    HA   GLU  47           HA       GLU  47   6.414 -12.847   1.119
  339   1HB   GLU  47          1HB       GLU  47   7.198 -11.075   3.448
  340   2HB   GLU  47          2HB       GLU  47   5.603 -11.799   3.396
  341   1HG   GLU  47          1HG       GLU  47   7.616 -13.802   2.724
  342   2HG   GLU  47          2HG       GLU  47   8.036 -13.026   4.238
  343    H    LEU  48           H        LEU  48   7.047  -9.322   1.169
  344    HA   LEU  48           HA       LEU  48   4.319  -8.588   0.921
  345   1HB   LEU  48          1HB       LEU  48   6.958  -7.193   0.634
  346   2HB   LEU  48          2HB       LEU  48   5.482  -6.397   0.124
  347    HG   LEU  48           HG       LEU  48   5.945  -5.651   2.322
  348   1HD1  LEU  48          1HD1      LEU  48   3.878  -7.754   2.898
  349   2HD1  LEU  48          2HD1      LEU  48   3.930  -6.043   3.388
  350   3HD1  LEU  48          3HD1      LEU  48   3.557  -6.475   1.702
  351   1HD2  LEU  48          1HD2      LEU  48   6.550  -8.531   2.884
  352   2HD2  LEU  48          2HD2      LEU  48   7.475  -7.066   3.290
  353   3HD2  LEU  48          3HD2      LEU  48   6.008  -7.475   4.210
  354    H    GLN  49           H        GLN  49   6.819  -9.732  -1.273
  355    HA   GLN  49           HA       GLN  49   5.935  -8.603  -3.610
  356   1HB   GLN  49          1HB       GLN  49   8.057  -9.924  -3.265
  357   2HB   GLN  49          2HB       GLN  49   7.107 -11.396  -3.247
  358   1HG   GLN  49          1HG       GLN  49   6.236 -10.804  -5.554
  359   2HG   GLN  49          2HG       GLN  49   7.307  -9.417  -5.566
  360   1HE2  GLN  49          1HE2      GLN  49   6.961 -12.483  -6.592
  361   2HE2  GLN  49          2HE2      GLN  49   8.609 -12.985  -6.772
  362    H    ASP  50           H        ASP  50   4.723 -11.414  -1.757
  363    HA   ASP  50           HA       ASP  50   3.082 -12.375  -3.809
  364   1HB   ASP  50          1HB       ASP  50   3.887 -13.520  -1.603
  365   2HB   ASP  50          2HB       ASP  50   2.558 -12.682  -0.827
  366    H    MET  51           H        MET  51   2.783  -9.967  -1.175
  367    HA   MET  51           HA       MET  51  -0.014  -9.749  -1.314
  368   1HB   MET  51          1HB       MET  51   2.278  -8.112  -0.161
  369   2HB   MET  51          2HB       MET  51   0.668  -7.419  -0.171
  370   1HG   MET  51          1HG       MET  51   0.562 -10.176   0.799
  371   2HG   MET  51          2HG       MET  51   1.738  -9.261   1.721
  372   1HE   MET  51          1HE       MET  51  -1.224 -10.598   2.262
  373   2HE   MET  51          2HE       MET  51  -0.360  -9.996   3.697
  374   3HE   MET  51          3HE       MET  51  -2.030  -9.468   3.377
  375    H    ILE  52           H        ILE  52   2.663  -7.568  -2.472
  376    HA   ILE  52           HA       ILE  52   1.123  -5.693  -3.716
  377    HB   ILE  52           HB       ILE  52   3.128  -5.389  -5.211
  378   1HG1  ILE  52          1HG1      ILE  52   5.118  -6.806  -4.007
  379   2HG1  ILE  52          2HG1      ILE  52   3.823  -7.986  -3.968
  380   1HG2  ILE  52          1HG2      ILE  52   2.829  -5.031  -2.366
  381   2HG2  ILE  52          2HG2      ILE  52   4.542  -5.284  -2.780
  382   3HG2  ILE  52          3HG2      ILE  52   3.619  -3.982  -3.568
  383   1HD1  ILE  52          1HD1      ILE  52   3.435  -7.556  -6.440
  384   2HD1  ILE  52          2HD1      ILE  52   4.888  -6.527  -6.426
  385   3HD1  ILE  52          3HD1      ILE  52   5.023  -8.264  -6.062
  386    H    ASN  53           H        ASN  53   2.199  -8.905  -4.952
  387    HA   ASN  53           HA       ASN  53   1.193  -8.517  -7.512
  388   1HB   ASN  53          1HB       ASN  53   2.796 -10.321  -6.987
  389   2HB   ASN  53          2HB       ASN  53   1.662 -11.063  -5.877
  390   1HD2  ASN  53          1HD2      ASN  53   3.002 -11.485  -8.731
  391   2HD2  ASN  53          2HD2      ASN  53   1.744 -12.255  -9.640
  392    H    GLU  54           H        GLU  54  -0.190  -9.615  -4.398
  393    HA   GLU  54           HA       GLU  54  -2.530 -10.706  -5.506
  394   1HB   GLU  54          1HB       GLU  54  -1.795 -11.414  -3.307
  395   2HB   GLU  54          2HB       GLU  54  -1.804  -9.769  -2.701
  396   1HG   GLU  54          1HG       GLU  54  -3.906 -10.233  -1.950
  397   2HG   GLU  54          2HG       GLU  54  -4.410 -10.029  -3.616
  398    H    VAL  55           H        VAL  55  -1.863  -7.599  -3.731
  399    HA   VAL  55           HA       VAL  55  -4.417  -6.546  -4.091
  400    HB   VAL  55           HB       VAL  55  -3.439  -4.468  -3.413
  401   1HG1  VAL  55          1HG1      VAL  55  -2.618  -6.993  -2.076
  402   2HG1  VAL  55          2HG1      VAL  55  -1.808  -5.506  -1.528
  403   3HG1  VAL  55          3HG1      VAL  55  -3.583  -5.628  -1.465
  404   1HG2  VAL  55          1HG2      VAL  55  -0.826  -5.733  -4.255
  405   2HG2  VAL  55          2HG2      VAL  55  -1.538  -4.186  -4.773
  406   3HG2  VAL  55          3HG2      VAL  55  -0.888  -4.359  -3.125
  407    H    ASP  56           H        ASP  56  -1.393  -6.268  -6.055
  408    HA   ASP  56           HA       ASP  56  -2.287  -4.436  -7.851
  409   1HB   ASP  56          1HB       ASP  56   0.033  -5.321  -7.745
  410   2HB   ASP  56          2HB       ASP  56  -0.518  -6.880  -8.325
  411    H    ALA  57           H        ALA  57  -4.231  -4.570  -8.995
  412    HA   ALA  57           HA       ALA  57  -5.128  -7.214  -9.854
  413   1HB   ALA  57          1HB       ALA  57  -7.171  -5.566 -10.474
  414   2HB   ALA  57          2HB       ALA  57  -6.944  -6.242  -8.843
  415   3HB   ALA  57          3HB       ALA  57  -6.397  -4.587  -9.204
  416    H    ASP  58           H        ASP  58  -4.491  -3.866 -11.085
  417    HA   ASP  58           HA       ASP  58  -5.157  -4.059 -13.621
  418   1HB   ASP  58          1HB       ASP  58  -2.879  -2.788 -14.075
  419   2HB   ASP  58          2HB       ASP  58  -4.114  -2.044 -13.080
  420    H    GLY  59           H        GLY  59  -2.477  -5.748 -11.976
  421   1HA   GLY  59          1HA       GLY  59  -1.526  -7.730 -12.681
  422   2HA   GLY  59          2HA       GLY  59  -2.105  -7.454 -14.312
  423    H    ASP  60           H        ASP  60   0.430  -6.689 -11.930
  424    HA   ASP  60           HA       ASP  60   2.245  -6.246 -14.060
  425   1HB   ASP  60          1HB       ASP  60   2.493  -3.979 -12.206
  426   2HB   ASP  60          2HB       ASP  60   2.524  -3.984 -13.958
  427    H    GLY  61           H        GLY  61   1.777  -5.286 -10.565
  428   1HA   GLY  61          1HA       GLY  61   2.770  -6.946  -8.965
  429   2HA   GLY  61          2HA       GLY  61   4.239  -6.787  -9.907
  430    H    THR  62           H        THR  62   1.855  -4.211  -9.026
  431    HA   THR  62           HA       THR  62   3.691  -3.114  -7.074
  432    HB   THR  62           HB       THR  62   2.903  -1.509  -9.557
  433    HG1  THR  62           HG1      THR  62   5.085  -2.057 -10.197
  434   1HG2  THR  62          1HG2      THR  62   3.562   0.098  -7.965
  435   2HG2  THR  62          2HG2      THR  62   4.617  -1.048  -7.104
  436   3HG2  THR  62          3HG2      THR  62   5.142  -0.347  -8.653
  437    H    ILE  63           H        ILE  63   2.722  -1.082  -6.056
  438    HA   ILE  63           HA       ILE  63  -0.158  -1.569  -5.837
  439    HB   ILE  63           HB       ILE  63   1.748  -0.231  -3.913
  440   1HG1  ILE  63          1HG1      ILE  63   0.877  -3.056  -4.270
  441   2HG1  ILE  63          2HG1      ILE  63   2.404  -2.409  -3.705
  442   1HG2  ILE  63          1HG2      ILE  63  -0.129  -0.403  -2.315
  443   2HG2  ILE  63          2HG2      ILE  63  -0.488   0.667  -3.692
  444   3HG2  ILE  63          3HG2      ILE  63  -1.177  -0.973  -3.636
  445   1HD1  ILE  63          1HD1      ILE  63   1.140  -3.518  -1.869
  446   2HD1  ILE  63          2HD1      ILE  63   1.378  -1.785  -1.539
  447   3HD1  ILE  63          3HD1      ILE  63  -0.201  -2.373  -2.112
  448    H    ASP  64           H        ASP  64  -1.482   0.470  -5.324
  449    HA   ASP  64           HA       ASP  64  -0.347   2.845  -6.468
  450   1HB   ASP  64          1HB       ASP  64  -1.521   1.301  -8.281
  451   2HB   ASP  64          2HB       ASP  64  -3.008   1.886  -7.560
  452    H    PHE  65           H        PHE  65  -2.109   4.698  -6.281
  453    HA   PHE  65           HA       PHE  65  -3.008   4.833  -3.683
  454   1HB   PHE  65          1HB       PHE  65  -2.935   6.374  -6.099
  455   2HB   PHE  65          2HB       PHE  65  -4.628   6.349  -5.644
  456    HD1  PHE  65           HD1      PHE  65  -4.349   6.346  -2.662
  457    HD2  PHE  65           HD2      PHE  65  -2.324   8.584  -5.645
  458    HE1  PHE  65           HE1      PHE  65  -3.930   8.180  -1.001
  459    HE2  PHE  65           HE2      PHE  65  -1.905  10.419  -3.983
  460    HZ   PHE  65           HZ       PHE  65  -2.713  10.195  -1.681
  461    HA   PRO  66           HA       PRO  66  -7.272   3.588  -5.330
  462   1HB   PRO  66          1HB       PRO  66  -7.534   2.611  -7.869
  463   2HB   PRO  66          2HB       PRO  66  -7.821   4.289  -7.454
  464   1HG   PRO  66          1HG       PRO  66  -5.507   3.097  -8.855
  465   2HG   PRO  66          2HG       PRO  66  -6.016   4.773  -8.805
  466   1HD   PRO  66          1HD       PRO  66  -3.845   3.595  -7.347
  467   2HD   PRO  66          2HD       PRO  66  -4.427   5.242  -7.211
  468    H    GLU  67           H        GLU  67  -4.564   1.691  -6.356
  469    HA   GLU  67           HA       GLU  67  -5.940  -0.751  -6.145
  470   1HB   GLU  67          1HB       GLU  67  -3.040   0.076  -6.350
  471   2HB   GLU  67          2HB       GLU  67  -3.428  -1.589  -5.965
  472   1HG   GLU  67          1HG       GLU  67  -4.790  -1.793  -8.015
  473   2HG   GLU  67          2HG       GLU  67  -4.560  -0.094  -8.377
  474    H    PHE  68           H        PHE  68  -3.404   0.800  -4.038
  475    HA   PHE  68           HA       PHE  68  -3.449  -1.001  -1.998
  476   1HB   PHE  68          1HB       PHE  68  -2.185   1.327  -2.550
  477   2HB   PHE  68          2HB       PHE  68  -3.417   2.009  -1.508
  478    HD1  PHE  68           HD1      PHE  68  -2.231   2.654   0.392
  479    HD2  PHE  68           HD2      PHE  68  -1.662  -1.253  -1.163
  480    HE1  PHE  68           HE1      PHE  68  -0.860   2.052   2.407
  481    HE2  PHE  68           HE2      PHE  68  -0.292  -1.856   0.852
  482    HZ   PHE  68           HZ       PHE  68   0.093  -0.196   2.612
  483    H    LEU  69           H        LEU  69  -5.709   1.731  -2.627
  484    HA   LEU  69           HA       LEU  69  -7.014   1.923  -0.276
  485   1HB   LEU  69          1HB       LEU  69  -7.391   2.776  -2.868
  486   2HB   LEU  69          2HB       LEU  69  -8.829   1.820  -2.569
  487    HG   LEU  69           HG       LEU  69  -8.168   3.677  -0.381
  488   1HD1  LEU  69          1HD1      LEU  69  -8.439   4.662  -3.184
  489   2HD1  LEU  69          2HD1      LEU  69  -9.270   5.561  -1.893
  490   3HD1  LEU  69          3HD1      LEU  69  -7.508   5.319  -1.816
  491   1HD2  LEU  69          1HD2      LEU  69 -10.543   2.606  -1.794
  492   2HD2  LEU  69          2HD2      LEU  69 -10.255   2.879  -0.059
  493   3HD2  LEU  69          3HD2      LEU  69 -10.700   4.243  -1.112
  494    H    THR  70           H        THR  70  -7.776  -0.475  -2.898
  495    HA   THR  70           HA       THR  70  -9.754  -1.815  -1.452
  496    HB   THR  70           HB       THR  70  -7.897  -2.515  -3.768
  497    HG1  THR  70           HG1      THR  70 -10.137  -2.350  -4.736
  498   1HG2  THR  70          1HG2      THR  70 -10.342  -4.140  -3.479
  499   2HG2  THR  70          2HG2      THR  70  -8.687  -4.664  -3.873
  500   3HG2  THR  70          3HG2      THR  70  -9.175  -4.459  -2.173
  501    H    MET  71           H        MET  71  -6.225  -2.560  -1.796
  502    HA   MET  71           HA       MET  71  -6.109  -4.830  -0.406
  503   1HB   MET  71          1HB       MET  71  -4.139  -3.722  -1.411
  504   2HB   MET  71          2HB       MET  71  -4.255  -2.390  -0.278
  505   1HG   MET  71          1HG       MET  71  -4.082  -5.023   1.069
  506   2HG   MET  71          2HG       MET  71  -2.690  -4.686   0.059
  507   1HE   MET  71          1HE       MET  71  -2.254  -4.027   3.935
  508   2HE   MET  71          2HE       MET  71  -4.005  -3.721   3.844
  509   3HE   MET  71          3HE       MET  71  -3.303  -5.129   3.012
  510    H    MET  72           H        MET  72  -5.707  -1.552   1.136
  511    HA   MET  72           HA       MET  72  -5.735  -2.540   3.717
  512   1HB   MET  72          1HB       MET  72  -5.508  -0.034   2.384
  513   2HB   MET  72          2HB       MET  72  -6.888   0.165   3.446
  514   1HG   MET  72          1HG       MET  72  -4.333  -1.072   4.520
  515   2HG   MET  72          2HG       MET  72  -4.454   0.669   4.359
  516   1HE   MET  72          1HE       MET  72  -6.178  -2.360   6.904
  517   2HE   MET  72          2HE       MET  72  -4.560  -2.067   6.222
  518   3HE   MET  72          3HE       MET  72  -4.999  -1.372   7.801
  519    H    ALA  73           H        ALA  73  -8.383  -0.775   1.939
  520    HA   ALA  73           HA       ALA  73 -10.360  -0.905   3.742
  521   1HB   ALA  73          1HB       ALA  73 -10.842  -1.652   0.846
  522   2HB   ALA  73          2HB       ALA  73 -11.850  -0.656   1.923
  523   3HB   ALA  73          3HB       ALA  73 -10.305  -0.019   1.310
  524    H    ARG  74           H        ARG  74  -9.638  -3.537   1.334
  525    HA   ARG  74           HA       ARG  74 -11.498  -5.279   2.368
  526   1HB   ARG  74          1HB       ARG  74  -8.950  -5.638   0.748
  527   2HB   ARG  74          2HB       ARG  74  -9.861  -7.045   1.261
  528   1HG   ARG  74          1HG       ARG  74 -11.524  -4.891   0.050
  529   2HG   ARG  74          2HG       ARG  74 -10.356  -5.599  -1.048
  530   1HD   ARG  74          1HD       ARG  74 -11.297  -7.772  -0.868
  531   2HD   ARG  74          2HD       ARG  74 -12.071  -7.421   0.665
  532    HE   ARG  74           HE       ARG  74 -13.083  -6.724  -2.015
  533   1HH1  ARG  74          2HH2      ARG  74 -13.357  -6.185   1.452
  534   2HH1  ARG  74          1HH2      ARG  74 -14.974  -5.572   1.358
  535   1HH2  ARG  74          2HH1      ARG  74 -15.217  -5.916  -2.140
  536   2HH2  ARG  74          1HH1      ARG  74 -16.039  -5.418  -0.699
  537    H    LYS  75           H        LYS  75  -8.033  -4.700   3.160
  538    HA   LYS  75           HA       LYS  75  -7.407  -6.858   4.652
  539   1HB   LYS  75          1HB       LYS  75  -6.017  -4.796   4.085
  540   2HB   LYS  75          2HB       LYS  75  -6.731  -4.031   5.490
  541   1HG   LYS  75          1HG       LYS  75  -4.752  -4.980   6.364
  542   2HG   LYS  75          2HG       LYS  75  -5.973  -6.158   6.806
  543   1HD   LYS  75          1HD       LYS  75  -4.972  -6.746   4.131
  544   2HD   LYS  75          2HD       LYS  75  -3.624  -6.591   5.241
  545   1HE   LYS  75          1HE       LYS  75  -4.675  -8.235   6.784
  546   2HE   LYS  75          2HE       LYS  75  -6.072  -8.355   5.733
  547   1HZ   LYS  75          1HZ       LYS  75  -3.320  -9.069   4.990
  548   2HZ   LYS  75          2HZ       LYS  75  -4.527 -10.120   5.317
  549   3HZ   LYS  75          3HZ       LYS  75  -4.612  -9.164   3.996
  550    H    MET  76           H        MET  76  -8.981  -3.856   5.975
  551    HA   MET  76           HA       MET  76  -9.381  -4.768   8.488
  552   1HB   MET  76          1HB       MET  76 -10.942  -2.908   6.648
  553   2HB   MET  76          2HB       MET  76 -11.547  -3.216   8.264
  554   1HG   MET  76          1HG       MET  76  -8.700  -2.652   8.425
  555   2HG   MET  76          2HG       MET  76  -9.473  -1.393   7.482
  556   1HE   MET  76          1HE       MET  76  -9.720  -2.279  11.870
  557   2HE   MET  76          2HE       MET  76 -10.675  -3.464  10.946
  558   3HE   MET  76          3HE       MET  76  -8.954  -3.216  10.565
  559    H    LYS  77           H        LYS  77 -11.440  -5.305   5.573
  560    HA   LYS  77           HA       LYS  77 -13.565  -6.527   6.898
  561   1HB   LYS  77          1HB       LYS  77 -12.907  -5.816   4.280
  562   2HB   LYS  77          2HB       LYS  77 -13.070  -7.559   4.214
  563   1HG   LYS  77          1HG       LYS  77 -15.327  -7.408   4.371
  564   2HG   LYS  77          2HG       LYS  77 -15.204  -6.499   5.865
  565   1HD   LYS  77          1HD       LYS  77 -14.546  -4.956   3.393
  566   2HD   LYS  77          2HD       LYS  77 -16.213  -5.482   3.513
  567   1HE   LYS  77          1HE       LYS  77 -16.128  -4.528   5.955
  568   2HE   LYS  77          2HE       LYS  77 -14.665  -3.711   5.442
  569   1HZ   LYS  77          1HZ       LYS  77 -15.858  -2.583   3.780
  570   2HZ   LYS  77          2HZ       LYS  77 -17.195  -3.500   3.971
  571   3HZ   LYS  77          3HZ       LYS  77 -16.754  -2.446   5.138
  572    H    ASP  78           H        ASP  78 -10.670  -7.971   5.248
  573    HA   ASP  78           HA       ASP  78 -11.299 -10.572   5.836
  574   1HB   ASP  78          1HB       ASP  78  -8.951  -9.037   4.963
  575   2HB   ASP  78          2HB       ASP  78  -8.476 -10.383   5.980
  576    H    THR  79           H        THR  79  -8.900  -8.371   7.496
  577    HA   THR  79           HA       THR  79  -8.451 -10.074   9.676
  578    HB   THR  79           HB       THR  79  -7.073  -8.070   8.770
  579    HG1  THR  79           HG1      THR  79  -6.990  -9.295  10.941
  580   1HG2  THR  79          1HG2      THR  79  -9.423  -6.644   9.601
  581   2HG2  THR  79          2HG2      THR  79  -8.145  -6.264  10.780
  582   3HG2  THR  79          3HG2      THR  79  -7.879  -5.951   9.048
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1 -16.381   1.959  -0.535
    2    HA   ALA   1           HA       ALA   1 -17.876  -0.043   0.986
    3   1HB   ALA   1          1HB       ALA   1 -16.102   2.220   1.981
    4   2HB   ALA   1          2HB       ALA   1 -16.697   0.821   2.907
    5   3HB   ALA   1          3HB       ALA   1 -15.506   0.585   1.606
    6    H    ASP   2           H        ASP   2 -19.527   0.634   2.507
    7    HA   ASP   2           HA       ASP   2 -21.452   2.144   1.573
    8   1HB   ASP   2          1HB       ASP   2 -21.188   0.844   3.854
    9   2HB   ASP   2          2HB       ASP   2 -20.742   2.404   4.515
   10    H    GLN   3           H        GLN   3 -18.769   3.324   3.736
   11    HA   GLN   3           HA       GLN   3 -18.470   5.716   2.416
   12   1HB   GLN   3          1HB       GLN   3 -19.463   7.330   4.014
   13   2HB   GLN   3          2HB       GLN   3 -20.694   6.324   3.275
   14   1HG   GLN   3          1HG       GLN   3 -21.324   5.470   5.285
   15   2HG   GLN   3          2HG       GLN   3 -19.675   5.041   5.694
   16   1HE2  GLN   3          1HE2      GLN   3 -21.279   5.863   7.658
   17   2HE2  GLN   3          2HE2      GLN   3 -20.869   7.447   8.225
   18    H    LEU   4           H        LEU   4 -16.909   3.571   3.551
   19    HA   LEU   4           HA       LEU   4 -15.696   4.744   5.920
   20   1HB   LEU   4          1HB       LEU   4 -15.164   2.675   6.482
   21   2HB   LEU   4          2HB       LEU   4 -16.266   2.172   5.216
   22    HG   LEU   4           HG       LEU   4 -14.241   2.211   3.642
   23   1HD1  LEU   4          1HD1      LEU   4 -12.986   3.253   5.947
   24   2HD1  LEU   4          2HD1      LEU   4 -12.313   1.626   5.689
   25   3HD1  LEU   4          3HD1      LEU   4 -12.247   2.833   4.383
   26   1HD2  LEU   4          1HD2      LEU   4 -14.038   0.149   5.835
   27   2HD2  LEU   4          2HD2      LEU   4 -15.403   0.191   4.694
   28   3HD2  LEU   4          3HD2      LEU   4 -13.745  -0.038   4.089
   29    H    THR   5           H        THR   5 -15.141   4.189   2.443
   30    HA   THR   5           HA       THR   5 -12.396   4.704   2.398
   31    HB   THR   5           HB       THR   5 -14.139   3.815   0.596
   32    HG1  THR   5           HG1      THR   5 -12.500   4.741  -0.994
   33   1HG2  THR   5          1HG2      THR   5 -14.146   6.843   0.245
   34   2HG2  THR   5          2HG2      THR   5 -14.330   5.756  -1.153
   35   3HG2  THR   5          3HG2      THR   5 -15.527   5.723   0.165
   36    H    GLU   6           H        GLU   6 -15.102   6.815   3.031
   37    HA   GLU   6           HA       GLU   6 -13.998   9.176   2.101
   38   1HB   GLU   6          1HB       GLU   6 -16.396   8.715   2.898
   39   2HB   GLU   6          2HB       GLU   6 -15.802   8.894   4.537
   40   1HG   GLU   6          1HG       GLU   6 -15.881  11.153   4.369
   41   2HG   GLU   6          2HG       GLU   6 -14.818  11.123   2.975
   42    H    GLU   7           H        GLU   7 -14.011   7.767   5.457
   43    HA   GLU   7           HA       GLU   7 -12.253   9.750   6.401
   44   1HB   GLU   7          1HB       GLU   7 -12.178   8.345   8.458
   45   2HB   GLU   7          2HB       GLU   7 -13.818   8.629   7.910
   46   1HG   GLU   7          1HG       GLU   7 -14.184   6.415   7.455
   47   2HG   GLU   7          2HG       GLU   7 -12.615   6.211   6.701
   48    H    GLN   8           H        GLN   8 -11.890   6.578   4.868
   49    HA   GLN   8           HA       GLN   8  -9.256   6.147   5.737
   50   1HB   GLN   8          1HB       GLN   8 -11.213   4.855   3.979
   51   2HB   GLN   8          2HB       GLN   8  -9.601   4.771   3.296
   52   1HG   GLN   8          1HG       GLN   8 -10.476   3.815   6.058
   53   2HG   GLN   8          2HG       GLN   8  -9.927   2.821   4.723
   54   1HE2  GLN   8          1HE2      GLN   8  -8.864   2.885   7.354
   55   2HE2  GLN   8          2HE2      GLN   8  -7.209   3.391   7.278
   56    H    ILE   9           H        ILE   9 -10.599   7.120   2.492
   57    HA   ILE   9           HA       ILE   9  -8.199   7.647   1.276
   58    HB   ILE   9           HB       ILE   9  -9.463   8.987  -0.281
   59   1HG1  ILE   9          1HG1      ILE   9 -12.076   9.061   0.451
   60   2HG1  ILE   9          2HG1      ILE   9 -11.318   9.282   2.016
   61   1HG2  ILE   9          1HG2      ILE   9 -11.515   7.278  -0.456
   62   2HG2  ILE   9          2HG2      ILE   9  -9.845   6.836  -0.885
   63   3HG2  ILE   9          3HG2      ILE   9 -10.506   6.383   0.705
   64   1HD1  ILE   9          1HD1      ILE   9 -10.490  11.355   1.479
   65   2HD1  ILE   9          2HD1      ILE   9 -10.111  10.880  -0.194
   66   3HD1  ILE   9          3HD1      ILE   9 -11.777  11.321   0.250
   67    H    ALA  10           H        ALA  10  -9.971   9.506   3.720
   68    HA   ALA  10           HA       ALA  10  -8.836  11.995   3.334
   69   1HB   ALA  10          1HB       ALA  10  -9.398  10.798   6.059
   70   2HB   ALA  10          2HB       ALA  10  -9.640  12.472   5.502
   71   3HB   ALA  10          3HB       ALA  10 -10.716  11.177   4.924
   72    H    GLU  11           H        GLU  11  -7.743   9.376   5.615
   73    HA   GLU  11           HA       GLU  11  -5.340  10.733   6.140
   74   1HB   GLU  11          1HB       GLU  11  -6.416   7.968   6.746
   75   2HB   GLU  11          2HB       GLU  11  -4.741   8.345   7.096
   76   1HG   GLU  11          1HG       GLU  11  -5.276   9.731   8.850
   77   2HG   GLU  11          2HG       GLU  11  -6.651  10.428   8.017
   78    H    PHE  12           H        PHE  12  -6.275   7.952   4.031
   79    HA   PHE  12           HA       PHE  12  -3.825   7.111   3.218
   80   1HB   PHE  12          1HB       PHE  12  -6.625   7.135   2.328
   81   2HB   PHE  12          2HB       PHE  12  -5.583   7.291   0.927
   82    HD1  PHE  12           HD1      PHE  12  -5.611   5.264   4.074
   83    HD2  PHE  12           HD2      PHE  12  -5.104   5.317  -0.138
   84    HE1  PHE  12           HE1      PHE  12  -5.216   2.785   4.091
   85    HE2  PHE  12           HE2      PHE  12  -4.710   2.838  -0.122
   86    HZ   PHE  12           HZ       PHE  12  -4.770   1.602   1.992
   87    H    LYS  13           H        LYS  13  -5.640  10.026   2.163
   88    HA   LYS  13           HA       LYS  13  -4.104  10.644  -0.062
   89   1HB   LYS  13          1HB       LYS  13  -6.332  11.643   0.878
   90   2HB   LYS  13          2HB       LYS  13  -5.280  12.754   1.732
   91   1HG   LYS  13          1HG       LYS  13  -5.170  13.992  -0.166
   92   2HG   LYS  13          2HG       LYS  13  -4.227  12.702  -0.885
   93   1HD   LYS  13          1HD       LYS  13  -5.908  12.297  -2.346
   94   2HD   LYS  13          2HD       LYS  13  -6.951  11.848  -1.012
   95   1HE   LYS  13          1HE       LYS  13  -8.184  13.616  -1.898
   96   2HE   LYS  13          2HE       LYS  13  -7.223  14.487  -0.720
   97   1HZ   LYS  13          1HZ       LYS  13  -5.626  14.459  -2.861
   98   2HZ   LYS  13          2HZ       LYS  13  -7.094  14.573  -3.566
   99   3HZ   LYS  13          3HZ       LYS  13  -6.627  15.688  -2.469
  100    H    GLU  14           H        GLU  14  -3.727  11.680   3.395
  101    HA   GLU  14           HA       GLU  14  -1.359  13.080   2.832
  102   1HB   GLU  14          1HB       GLU  14  -3.083  12.572   5.116
  103   2HB   GLU  14          2HB       GLU  14  -1.410  12.359   5.593
  104   1HG   GLU  14          1HG       GLU  14  -1.873  14.741   3.875
  105   2HG   GLU  14          2HG       GLU  14  -2.718  14.802   5.409
  106    H    ALA  15           H        ALA  15  -2.157   9.729   3.718
  107    HA   ALA  15           HA       ALA  15   0.429   8.981   4.552
  108   1HB   ALA  15          1HB       ALA  15  -0.456   6.784   4.565
  109   2HB   ALA  15          2HB       ALA  15  -1.852   7.827   4.927
  110   3HB   ALA  15          3HB       ALA  15  -1.640   7.160   3.291
  111    H    PHE  16           H        PHE  16  -1.298   8.979   1.386
  112    HA   PHE  16           HA       PHE  16   0.268   7.534  -0.191
  113   1HB   PHE  16          1HB       PHE  16  -1.663   8.953  -0.908
  114   2HB   PHE  16          2HB       PHE  16  -0.754  10.412  -0.565
  115    HD1  PHE  16           HD1      PHE  16  -0.193   7.298  -2.567
  116    HD2  PHE  16           HD2      PHE  16  -0.042  11.537  -2.433
  117    HE1  PHE  16           HE1      PHE  16   0.629   7.344  -4.938
  118    HE2  PHE  16           HE2      PHE  16   0.780  11.582  -4.804
  119    HZ   PHE  16           HZ       PHE  16   1.106   9.485  -6.028
  120    H    SER  17           H        SER  17   1.112  10.769   1.148
  121    HA   SER  17           HA       SER  17   3.313  11.276  -0.370
  122   1HB   SER  17          1HB       SER  17   2.085  12.362   1.921
  123   2HB   SER  17          2HB       SER  17   3.719  12.007   2.446
  124    HG   SER  17           HG       SER  17   2.910  13.646   0.204
  125    H    LEU  18           H        LEU  18   3.129   9.536   2.820
  126    HA   LEU  18           HA       LEU  18   5.882   8.864   2.786
  127   1HB   LEU  18          1HB       LEU  18   3.578   7.754   4.395
  128   2HB   LEU  18          2HB       LEU  18   5.273   7.424   4.694
  129    HG   LEU  18           HG       LEU  18   4.178  10.239   4.720
  130   1HD1  LEU  18          1HD1      LEU  18   3.956  10.055   7.160
  131   2HD1  LEU  18          2HD1      LEU  18   2.841   8.963   6.303
  132   3HD1  LEU  18          3HD1      LEU  18   4.317   8.315   7.058
  133   1HD2  LEU  18          1HD2      LEU  18   6.615   9.972   4.537
  134   2HD2  LEU  18          2HD2      LEU  18   6.135  10.719   6.080
  135   3HD2  LEU  18          3HD2      LEU  18   6.616   9.005   6.031
  136    H    PHE  19           H        PHE  19   2.872   6.868   2.349
  137    HA   PHE  19           HA       PHE  19   3.993   4.510   1.712
  138   1HB   PHE  19          1HB       PHE  19   1.624   6.084   0.568
  139   2HB   PHE  19          2HB       PHE  19   1.911   4.430   0.066
  140    HD1  PHE  19           HD1      PHE  19  -0.367   5.933   1.776
  141    HD2  PHE  19           HD2      PHE  19   2.788   3.235   2.655
  142    HE1  PHE  19           HE1      PHE  19  -1.633   5.105   3.779
  143    HE2  PHE  19           HE2      PHE  19   1.522   2.407   4.658
  144    HZ   PHE  19           HZ       PHE  19  -0.674   3.352   5.196
  145    H    ASP  20           H        ASP  20   3.501   7.316  -0.519
  146    HA   ASP  20           HA       ASP  20   4.924   5.822  -2.549
  147   1HB   ASP  20          1HB       ASP  20   2.755   7.062  -3.052
  148   2HB   ASP  20          2HB       ASP  20   3.592   8.565  -2.723
  149    H    LYS  21           H        LYS  21   6.555   6.524  -0.384
  150    HA   LYS  21           HA       LYS  21   7.658   8.959  -0.163
  151   1HB   LYS  21          1HB       LYS  21   9.809   7.733   0.359
  152   2HB   LYS  21          2HB       LYS  21   8.394   7.234   1.264
  153   1HG   LYS  21          1HG       LYS  21   8.114   5.473  -0.725
  154   2HG   LYS  21          2HG       LYS  21   9.821   5.782  -0.974
  155   1HD   LYS  21          1HD       LYS  21   9.890   3.994   0.544
  156   2HD   LYS  21          2HD       LYS  21  10.039   5.368   1.621
  157   1HE   LYS  21          1HE       LYS  21   7.223   4.884   1.201
  158   2HE   LYS  21          2HE       LYS  21   7.978   3.348   1.578
  159   1HZ   LYS  21          1HZ       LYS  21   8.957   5.412   3.236
  160   2HZ   LYS  21          2HZ       LYS  21   7.332   5.294   3.348
  161   3HZ   LYS  21          3HZ       LYS  21   8.268   3.991   3.653
  162    H    ASP  22           H        ASP  22   8.334   6.542  -2.758
  163    HA   ASP  22           HA       ASP  22  10.394   7.754  -3.981
  164   1HB   ASP  22          1HB       ASP  22   8.270   5.893  -4.705
  165   2HB   ASP  22          2HB       ASP  22   8.617   6.937  -6.068
  166    H    GLY  23           H        GLY  23   6.839   8.265  -4.628
  167   1HA   GLY  23          1HA       GLY  23   5.789  10.272  -5.040
  168   2HA   GLY  23          2HA       GLY  23   7.337  11.064  -5.255
  169    H    ASP  24           H        ASP  24   6.057   8.054  -6.818
  170    HA   ASP  24           HA       ASP  24   6.239   9.501  -9.343
  171   1HB   ASP  24          1HB       ASP  24   6.685   7.019 -10.217
  172   2HB   ASP  24          2HB       ASP  24   8.000   8.015  -9.626
  173    H    GLY  25           H        GLY  25   3.952   8.978  -7.422
  174   1HA   GLY  25          1HA       GLY  25   1.829   8.235  -7.413
  175   2HA   GLY  25          2HA       GLY  25   1.905   8.396  -9.156
  176    H    THR  26           H        THR  26   4.098   6.179  -7.440
  177    HA   THR  26           HA       THR  26   2.378   3.900  -7.957
  178    HB   THR  26           HB       THR  26   4.436   2.875  -9.247
  179    HG1  THR  26           HG1      THR  26   5.838   4.706  -8.776
  180   1HG2  THR  26          1HG2      THR  26   3.327   5.129 -10.889
  181   2HG2  THR  26          2HG2      THR  26   3.414   3.393 -11.269
  182   3HG2  THR  26          3HG2      THR  26   2.129   4.006 -10.201
  183    H    ILE  27           H        ILE  27   2.385   2.783  -6.120
  184    HA   ILE  27           HA       ILE  27   4.618   3.092  -4.323
  185    HB   ILE  27           HB       ILE  27   1.858   1.987  -4.198
  186   1HG1  ILE  27          1HG1      ILE  27   2.043   3.308  -1.974
  187   2HG1  ILE  27          2HG1      ILE  27   3.522   3.966  -2.646
  188   1HG2  ILE  27          1HG2      ILE  27   3.119   0.123  -3.328
  189   2HG2  ILE  27          2HG2      ILE  27   4.067   1.204  -2.279
  190   3HG2  ILE  27          3HG2      ILE  27   2.326   0.980  -1.984
  191   1HD1  ILE  27          1HD1      ILE  27   1.036   3.972  -4.362
  192   2HD1  ILE  27          2HD1      ILE  27   1.198   5.183  -3.067
  193   3HD1  ILE  27          3HD1      ILE  27   2.412   5.101  -4.366
  194    H    THR  28           H        THR  28   6.445   2.000  -4.882
  195    HA   THR  28           HA       THR  28   6.262  -0.544  -6.213
  196    HB   THR  28           HB       THR  28   8.560   1.176  -5.146
  197    HG1  THR  28           HG1      THR  28   8.521   1.833  -7.321
  198   1HG2  THR  28          1HG2      THR  28   9.115  -0.764  -7.305
  199   2HG2  THR  28          2HG2      THR  28  10.064  -0.412  -5.840
  200   3HG2  THR  28          3HG2      THR  28   8.708  -1.563  -5.767
  201    H    THR  29           H        THR  29   7.034  -2.569  -5.440
  202    HA   THR  29           HA       THR  29   6.068  -3.383  -3.051
  203    HB   THR  29           HB       THR  29   7.466  -5.360  -3.412
  204    HG1  THR  29           HG1      THR  29   9.518  -4.958  -4.149
  205   1HG2  THR  29          1HG2      THR  29   5.919  -4.299  -5.473
  206   2HG2  THR  29          2HG2      THR  29   7.506  -4.495  -6.256
  207   3HG2  THR  29          3HG2      THR  29   6.698  -5.898  -5.515
  208    H    LYS  30           H        LYS  30   9.087  -1.612  -3.620
  209    HA   LYS  30           HA       LYS  30  10.182  -2.182  -1.070
  210   1HB   LYS  30          1HB       LYS  30  10.772  -0.190  -3.253
  211   2HB   LYS  30          2HB       LYS  30  11.585  -0.087  -1.705
  212   1HG   LYS  30          1HG       LYS  30  12.405  -2.412  -1.938
  213   2HG   LYS  30          2HG       LYS  30  11.510  -2.607  -3.432
  214   1HD   LYS  30          1HD       LYS  30  12.865  -0.865  -4.531
  215   2HD   LYS  30          2HD       LYS  30  13.686  -0.502  -3.025
  216   1HE   LYS  30          1HE       LYS  30  14.185  -3.186  -3.164
  217   2HE   LYS  30          2HE       LYS  30  14.051  -2.834  -4.875
  218   1HZ   LYS  30          1HZ       LYS  30  16.094  -2.064  -4.738
  219   2HZ   LYS  30          2HZ       LYS  30  15.567  -0.821  -3.819
  220   3HZ   LYS  30          3HZ       LYS  30  16.130  -2.180  -3.109
  221    H    GLU  31           H        GLU  31   8.186   0.486  -2.455
  222    HA   GLU  31           HA       GLU  31   8.275   2.143  -0.282
  223   1HB   GLU  31          1HB       GLU  31   6.467   1.729  -2.609
  224   2HB   GLU  31          2HB       GLU  31   5.731   2.561  -1.253
  225   1HG   GLU  31          1HG       GLU  31   6.803   4.469  -1.834
  226   2HG   GLU  31          2HG       GLU  31   8.349   3.685  -1.578
  227    H    LEU  32           H        LEU  32   6.376  -0.821  -0.865
  228    HA   LEU  32           HA       LEU  32   4.598  -0.410   1.309
  229   1HB   LEU  32          1HB       LEU  32   4.003  -1.771  -0.595
  230   2HB   LEU  32          2HB       LEU  32   5.343  -2.859  -0.293
  231    HG   LEU  32           HG       LEU  32   4.302  -3.534   1.853
  232   1HD1  LEU  32          1HD1      LEU  32   2.874  -2.073   2.762
  233   2HD1  LEU  32          2HD1      LEU  32   2.493  -1.318   1.195
  234   3HD1  LEU  32          3HD1      LEU  32   1.660  -2.811   1.690
  235   1HD2  LEU  32          1HD2      LEU  32   3.190  -4.023  -0.822
  236   2HD2  LEU  32          2HD2      LEU  32   3.686  -5.165   0.450
  237   3HD2  LEU  32          3HD2      LEU  32   2.077  -4.407   0.513
  238    H    GLY  33           H        GLY  33   7.403  -2.680   0.834
  239   1HA   GLY  33          1HA       GLY  33   7.525  -3.601   3.449
  240   2HA   GLY  33          2HA       GLY  33   8.856  -3.551   2.310
  241    H    THR  34           H        THR  34   8.729  -0.570   1.967
  242    HA   THR  34           HA       THR  34  10.473   0.106   4.096
  243    HB   THR  34           HB       THR  34   9.099   1.734   1.895
  244    HG1  THR  34           HG1      THR  34  10.739   0.760   0.775
  245   1HG2  THR  34          1HG2      THR  34  10.114   3.057   3.912
  246   2HG2  THR  34          2HG2      THR  34  11.681   2.411   3.368
  247   3HG2  THR  34          3HG2      THR  34  10.725   3.454   2.288
  248    H    VAL  35           H        VAL  35   7.163   1.319   3.228
  249    HA   VAL  35           HA       VAL  35   6.840   2.933   5.422
  250    HB   VAL  35           HB       VAL  35   4.812   1.280   3.905
  251   1HG1  VAL  35          1HG1      VAL  35   3.397   1.947   5.524
  252   2HG1  VAL  35          2HG1      VAL  35   4.529   3.171   6.147
  253   3HG1  VAL  35          3HG1      VAL  35   3.500   3.543   4.742
  254   1HG2  VAL  35          1HG2      VAL  35   5.002   4.176   3.400
  255   2HG2  VAL  35          2HG2      VAL  35   6.453   3.257   2.933
  256   3HG2  VAL  35          3HG2      VAL  35   4.865   2.816   2.260
  257    H    MET  36           H        MET  36   6.037  -0.583   5.053
  258    HA   MET  36           HA       MET  36   4.830  -1.130   7.325
  259   1HB   MET  36          1HB       MET  36   7.165  -2.595   5.992
  260   2HB   MET  36          2HB       MET  36   6.257  -3.319   7.305
  261   1HG   MET  36          1HG       MET  36   4.798  -2.216   4.879
  262   2HG   MET  36          2HG       MET  36   5.533  -3.806   4.812
  263   1HE   MET  36          1HE       MET  36   2.850  -5.275   4.771
  264   2HE   MET  36          2HE       MET  36   1.647  -4.052   5.246
  265   3HE   MET  36          3HE       MET  36   2.955  -3.622   4.118
  266    H    ARG  37           H        ARG  37   8.462  -1.037   7.057
  267    HA   ARG  37           HA       ARG  37   8.938  -1.451   9.712
  268   1HB   ARG  37          1HB       ARG  37  10.473  -0.057   7.496
  269   2HB   ARG  37          2HB       ARG  37  11.121  -0.037   9.124
  270   1HG   ARG  37          1HG       ARG  37  11.822  -2.191   8.953
  271   2HG   ARG  37          2HG       ARG  37  10.230  -2.733   8.462
  272   1HD   ARG  37          1HD       ARG  37  11.493  -3.259   6.555
  273   2HD   ARG  37          2HD       ARG  37  10.866  -1.682   6.116
  274    HE   ARG  37           HE       ARG  37  13.024  -0.725   6.446
  275   1HH1  ARG  37          2HH2      ARG  37  12.979  -4.130   7.334
  276   2HH1  ARG  37          1HH2      ARG  37  14.704  -4.271   7.387
  277   1HH2  ARG  37          2HH1      ARG  37  15.300  -0.910   6.515
  278   2HH2  ARG  37          1HH1      ARG  37  16.034  -2.427   6.918
  279    H    SER  38           H        SER  38   8.360   1.602   7.875
  280    HA   SER  38           HA       SER  38   9.065   3.486   9.592
  281   1HB   SER  38          1HB       SER  38   7.818   3.686   7.344
  282   2HB   SER  38          2HB       SER  38   6.330   3.524   8.256
  283    HG   SER  38           HG       SER  38   6.550   5.684   8.323
  284    H    LEU  39           H        LEU  39   6.462   1.124  10.016
  285    HA   LEU  39           HA       LEU  39   5.293   2.564  12.224
  286   1HB   LEU  39          1HB       LEU  39   4.753  -0.141  10.998
  287   2HB   LEU  39          2HB       LEU  39   3.881   0.495  12.379
  288    HG   LEU  39           HG       LEU  39   3.993   1.882   9.689
  289   1HD1  LEU  39          1HD1      LEU  39   1.578   0.384  10.644
  290   2HD1  LEU  39          2HD1      LEU  39   2.066   0.834   8.992
  291   3HD1  LEU  39          3HD1      LEU  39   2.900  -0.493   9.836
  292   1HD2  LEU  39          1HD2      LEU  39   1.757   2.345  11.570
  293   2HD2  LEU  39          2HD2      LEU  39   3.344   2.970  12.080
  294   3HD2  LEU  39          3HD2      LEU  39   2.644   3.481  10.525
  295    H    GLY  40           H        GLY  40   7.255  -0.429  11.677
  296   1HA   GLY  40          1HA       GLY  40   8.959  -0.215  13.760
  297   2HA   GLY  40          2HA       GLY  40   7.527  -0.883  14.518
  298    H    GLN  41           H        GLN  41   6.495  -2.502  12.404
  299    HA   GLN  41           HA       GLN  41   7.747  -4.835  12.817
  300   1HB   GLN  41          1HB       GLN  41   6.693  -5.508  10.530
  301   2HB   GLN  41          2HB       GLN  41   5.626  -4.956  11.806
  302   1HG   GLN  41          1HG       GLN  41   6.396  -2.578  10.505
  303   2HG   GLN  41          2HG       GLN  41   6.203  -3.724   9.194
  304   1HE2  GLN  41          1HE2      GLN  41   4.637  -2.625  12.189
  305   2HE2  GLN  41          2HE2      GLN  41   2.999  -2.739  11.640
  306    H    ASN  42           H        ASN  42   8.766  -6.266  10.896
  307    HA   ASN  42           HA       ASN  42  10.623  -4.658   9.381
  308   1HB   ASN  42          1HB       ASN  42  11.580  -7.021  11.070
  309   2HB   ASN  42          2HB       ASN  42  12.580  -5.911  10.154
  310   1HD2  ASN  42          1HD2      ASN  42  12.059  -3.507  10.709
  311   2HD2  ASN  42          2HD2      ASN  42  12.059  -3.111  12.395
  312    HA   PRO  43           HA       PRO  43   8.898  -8.481   7.426
  313   1HB   PRO  43          1HB       PRO  43   7.324  -7.333   5.510
  314   2HB   PRO  43          2HB       PRO  43   6.707  -7.877   7.057
  315   1HG   PRO  43          1HG       PRO  43   7.227  -5.117   6.136
  316   2HG   PRO  43          2HG       PRO  43   6.236  -5.658   7.476
  317   1HD   PRO  43          1HD       PRO  43   8.860  -4.510   7.636
  318   2HD   PRO  43          2HD       PRO  43   7.917  -5.158   8.963
  319    H    THR  44           H        THR  44   9.012  -9.250   5.067
  320    HA   THR  44           HA       THR  44  11.363  -7.882   3.931
  321    HB   THR  44           HB       THR  44  11.594 -10.344   2.916
  322    HG1  THR  44           HG1      THR  44   9.931 -11.524   3.784
  323   1HG2  THR  44          1HG2      THR  44  13.335  -9.772   4.429
  324   2HG2  THR  44          2HG2      THR  44  12.195  -9.435   5.753
  325   3HG2  THR  44          3HG2      THR  44  12.529 -11.116   5.273
  326    H    GLU  45           H        GLU  45  11.412  -7.346   1.773
  327    HA   GLU  45           HA       GLU  45   9.021  -6.743   0.603
  328   1HB   GLU  45          1HB       GLU  45  10.333  -6.272  -1.428
  329   2HB   GLU  45          2HB       GLU  45  11.181  -5.701  -0.005
  330   1HG   GLU  45          1HG       GLU  45  12.961  -7.022  -0.480
  331   2HG   GLU  45          2HG       GLU  45  11.949  -8.452  -0.462
  332    H    ALA  46           H        ALA  46  10.643  -9.807   0.840
  333    HA   ALA  46           HA       ALA  46   9.698 -10.986  -1.539
  334   1HB   ALA  46          1HB       ALA  46  10.108 -12.680   0.873
  335   2HB   ALA  46          2HB       ALA  46  10.809 -12.819  -0.757
  336   3HB   ALA  46          3HB       ALA  46  11.484 -11.653   0.405
  337    H    GLU  47           H        GLU  47   8.555 -11.268   1.907
  338    HA   GLU  47           HA       GLU  47   6.310 -12.721   1.299
  339   1HB   GLU  47          1HB       GLU  47   7.211 -11.010   3.588
  340   2HB   GLU  47          2HB       GLU  47   5.503 -11.397   3.532
  341   1HG   GLU  47          1HG       GLU  47   7.475 -13.638   3.085
  342   2HG   GLU  47          2HG       GLU  47   7.280 -13.030   4.717
  343    H    LEU  48           H        LEU  48   6.890  -9.180   1.293
  344    HA   LEU  48           HA       LEU  48   4.160  -8.499   0.955
  345   1HB   LEU  48          1HB       LEU  48   6.779  -7.058   0.693
  346   2HB   LEU  48          2HB       LEU  48   5.291  -6.300   0.161
  347    HG   LEU  48           HG       LEU  48   5.912  -5.601   2.419
  348   1HD1  LEU  48          1HD1      LEU  48   3.635  -6.866   3.436
  349   2HD1  LEU  48          2HD1      LEU  48   3.719  -5.297   2.598
  350   3HD1  LEU  48          3HD1      LEU  48   3.371  -6.780   1.677
  351   1HD2  LEU  48          1HD2      LEU  48   5.737  -7.238   4.304
  352   2HD2  LEU  48          2HD2      LEU  48   5.697  -8.544   3.096
  353   3HD2  LEU  48          3HD2      LEU  48   7.129  -7.495   3.225
  354    H    GLN  49           H        GLN  49   6.802  -9.511  -1.174
  355    HA   GLN  49           HA       GLN  49   5.961  -8.482  -3.541
  356   1HB   GLN  49          1HB       GLN  49   8.064  -9.831  -3.064
  357   2HB   GLN  49          2HB       GLN  49   7.091 -11.286  -3.149
  358   1HG   GLN  49          1HG       GLN  49   6.439 -10.758  -5.480
  359   2HG   GLN  49          2HG       GLN  49   7.303  -9.235  -5.404
  360   1HE2  GLN  49          1HE2      GLN  49   8.063 -10.625  -7.399
  361   2HE2  GLN  49          2HE2      GLN  49   9.560 -11.467  -7.176
  362    H    ASP  50           H        ASP  50   4.715 -11.307  -1.719
  363    HA   ASP  50           HA       ASP  50   3.117 -12.248  -3.818
  364   1HB   ASP  50          1HB       ASP  50   3.901 -13.407  -1.596
  365   2HB   ASP  50          2HB       ASP  50   2.520 -12.620  -0.859
  366    H    MET  51           H        MET  51   2.790  -9.841  -1.202
  367    HA   MET  51           HA       MET  51  -0.011  -9.657  -1.318
  368   1HB   MET  51          1HB       MET  51   2.295  -8.191  -0.078
  369   2HB   MET  51          2HB       MET  51   0.861  -7.215  -0.327
  370   1HG   MET  51          1HG       MET  51  -0.300  -8.286   1.332
  371   2HG   MET  51          2HG       MET  51   0.226  -9.872   0.804
  372   1HE   MET  51          1HE       MET  51   2.660 -11.118   2.282
  373   2HE   MET  51          2HE       MET  51   1.753 -10.831   3.786
  374   3HE   MET  51          3HE       MET  51   0.880 -11.129   2.264
  375    H    ILE  52           H        ILE  52   2.616  -7.428  -2.503
  376    HA   ILE  52           HA       ILE  52   1.053  -5.597  -3.763
  377    HB   ILE  52           HB       ILE  52   3.030  -5.289  -5.285
  378   1HG1  ILE  52          1HG1      ILE  52   5.073  -6.658  -4.205
  379   2HG1  ILE  52          2HG1      ILE  52   3.810  -7.851  -3.976
  380   1HG2  ILE  52          1HG2      ILE  52   3.540  -5.418  -2.301
  381   2HG2  ILE  52          2HG2      ILE  52   4.493  -4.492  -3.484
  382   3HG2  ILE  52          3HG2      ILE  52   2.789  -4.071  -3.190
  383   1HD1  ILE  52          1HD1      ILE  52   5.236  -7.345  -6.356
  384   2HD1  ILE  52          2HD1      ILE  52   3.791  -8.371  -6.182
  385   3HD1  ILE  52          3HD1      ILE  52   3.618  -6.660  -6.641
  386    H    ASN  53           H        ASN  53   2.243  -8.755  -5.072
  387    HA   ASN  53           HA       ASN  53   1.180  -8.430  -7.586
  388   1HB   ASN  53          1HB       ASN  53   2.671 -10.361  -6.340
  389   2HB   ASN  53          2HB       ASN  53   1.122 -11.180  -6.362
  390   1HD2  ASN  53          1HD2      ASN  53   3.142 -12.264  -7.730
  391   2HD2  ASN  53          2HD2      ASN  53   2.933 -12.111  -9.442
  392    H    GLU  54           H        GLU  54  -0.204  -9.534  -4.465
  393    HA   GLU  54           HA       GLU  54  -2.557 -10.590  -5.572
  394   1HB   GLU  54          1HB       GLU  54  -1.803 -11.307  -3.374
  395   2HB   GLU  54          2HB       GLU  54  -1.835  -9.666  -2.761
  396   1HG   GLU  54          1HG       GLU  54  -3.915 -10.243  -1.991
  397   2HG   GLU  54          2HG       GLU  54  -4.424  -9.883  -3.629
  398    H    VAL  55           H        VAL  55  -1.937  -7.540  -3.676
  399    HA   VAL  55           HA       VAL  55  -4.456  -6.456  -4.061
  400    HB   VAL  55           HB       VAL  55  -3.550  -4.479  -3.212
  401   1HG1  VAL  55          1HG1      VAL  55  -1.410  -5.933  -1.907
  402   2HG1  VAL  55          2HG1      VAL  55  -2.967  -5.373  -1.251
  403   3HG1  VAL  55          3HG1      VAL  55  -2.861  -6.953  -2.064
  404   1HG2  VAL  55          1HG2      VAL  55  -1.855  -4.018  -4.872
  405   2HG2  VAL  55          2HG2      VAL  55  -1.111  -3.950  -3.256
  406   3HG2  VAL  55          3HG2      VAL  55  -0.858  -5.374  -4.293
  407    H    ASP  56           H        ASP  56  -1.421  -6.111  -6.004
  408    HA   ASP  56           HA       ASP  56  -2.231  -4.258  -7.766
  409   1HB   ASP  56          1HB       ASP  56   0.014  -5.329  -7.736
  410   2HB   ASP  56          2HB       ASP  56  -0.674  -6.822  -8.345
  411    H    ALA  57           H        ALA  57  -4.226  -4.218  -8.832
  412    HA   ALA  57           HA       ALA  57  -5.335  -6.760  -9.746
  413   1HB   ALA  57          1HB       ALA  57  -6.829  -4.195 -10.041
  414   2HB   ALA  57          2HB       ALA  57  -7.389  -5.788  -9.475
  415   3HB   ALA  57          3HB       ALA  57  -6.482  -4.721  -8.376
  416    H    ASP  58           H        ASP  58  -4.489  -3.430 -10.900
  417    HA   ASP  58           HA       ASP  58  -5.238  -3.618 -13.457
  418   1HB   ASP  58          1HB       ASP  58  -3.287  -2.104 -13.976
  419   2HB   ASP  58          2HB       ASP  58  -4.220  -1.597 -12.582
  420    H    GLY  59           H        GLY  59  -2.544  -5.248 -11.793
  421   1HA   GLY  59          1HA       GLY  59  -1.490  -7.168 -12.497
  422   2HA   GLY  59          2HA       GLY  59  -2.085  -6.923 -14.127
  423    H    ASP  60           H        ASP  60   0.642  -6.735 -12.098
  424    HA   ASP  60           HA       ASP  60   2.344  -6.045 -14.101
  425   1HB   ASP  60          1HB       ASP  60   3.069  -3.737 -13.348
  426   2HB   ASP  60          2HB       ASP  60   1.496  -3.782 -14.119
  427    H    GLY  61           H        GLY  61   1.666  -5.273 -10.605
  428   1HA   GLY  61          1HA       GLY  61   2.755  -6.750  -8.979
  429   2HA   GLY  61          2HA       GLY  61   4.232  -6.573  -9.905
  430    H    THR  62           H        THR  62   1.799  -4.008  -9.160
  431    HA   THR  62           HA       THR  62   3.590  -2.839  -7.194
  432    HB   THR  62           HB       THR  62   2.742  -1.298  -9.698
  433    HG1  THR  62           HG1      THR  62   4.300  -2.824 -10.362
  434   1HG2  THR  62          1HG2      THR  62   4.409   0.315  -8.979
  435   2HG2  THR  62          2HG2      THR  62   3.392  -0.014  -7.556
  436   3HG2  THR  62          3HG2      THR  62   4.996  -0.774  -7.699
  437    H    ILE  63           H        ILE  63   2.576  -0.968  -6.069
  438    HA   ILE  63           HA       ILE  63  -0.299  -1.473  -5.912
  439    HB   ILE  63           HB       ILE  63   1.207   0.129  -3.897
  440   1HG1  ILE  63          1HG1      ILE  63   1.458  -2.857  -4.286
  441   2HG1  ILE  63          2HG1      ILE  63   2.737  -1.669  -4.133
  442   1HG2  ILE  63          1HG2      ILE  63  -0.725  -0.046  -2.827
  443   2HG2  ILE  63          2HG2      ILE  63  -1.389  -1.025  -4.157
  444   3HG2  ILE  63          3HG2      ILE  63  -0.555  -1.818  -2.799
  445   1HD1  ILE  63          1HD1      ILE  63   1.493  -1.195  -1.779
  446   2HD1  ILE  63          2HD1      ILE  63   1.013  -2.894  -2.006
  447   3HD1  ILE  63          3HD1      ILE  63   2.737  -2.454  -1.958
  448    H    ASP  64           H        ASP  64  -1.431   0.737  -4.998
  449    HA   ASP  64           HA       ASP  64  -0.411   3.081  -6.177
  450   1HB   ASP  64          1HB       ASP  64  -1.434   1.686  -8.136
  451   2HB   ASP  64          2HB       ASP  64  -2.990   2.032  -7.408
  452    H    PHE  65           H        PHE  65  -2.346   4.849  -6.075
  453    HA   PHE  65           HA       PHE  65  -3.226   4.998  -3.490
  454   1HB   PHE  65          1HB       PHE  65  -3.457   6.371  -6.035
  455   2HB   PHE  65          2HB       PHE  65  -5.075   6.277  -5.369
  456    HD1  PHE  65           HD1      PHE  65  -4.568   6.553  -2.482
  457    HD2  PHE  65           HD2      PHE  65  -2.810   8.583  -5.767
  458    HE1  PHE  65           HE1      PHE  65  -4.074   8.519  -1.002
  459    HE2  PHE  65           HE2      PHE  65  -2.315  10.549  -4.288
  460    HZ   PHE  65           HZ       PHE  65  -2.953  10.494  -1.923
  461    HA   PRO  66           HA       PRO  66  -7.384   3.254  -4.930
  462   1HB   PRO  66          1HB       PRO  66  -7.653   2.207  -7.439
  463   2HB   PRO  66          2HB       PRO  66  -8.096   3.854  -7.036
  464   1HG   PRO  66          1HG       PRO  66  -5.733   2.882  -8.523
  465   2HG   PRO  66          2HG       PRO  66  -6.412   4.496  -8.475
  466   1HD   PRO  66          1HD       PRO  66  -4.068   3.579  -7.100
  467   2HD   PRO  66          2HD       PRO  66  -4.813   5.159  -6.962
  468    H    GLU  67           H        GLU  67  -4.583   1.598  -6.156
  469    HA   GLU  67           HA       GLU  67  -5.659  -0.955  -5.838
  470   1HB   GLU  67          1HB       GLU  67  -2.890   0.196  -6.151
  471   2HB   GLU  67          2HB       GLU  67  -3.040  -1.483  -5.671
  472   1HG   GLU  67          1HG       GLU  67  -4.563  -1.870  -7.658
  473   2HG   GLU  67          2HG       GLU  67  -4.281  -0.214  -8.158
  474    H    PHE  68           H        PHE  68  -3.251   0.859  -3.791
  475    HA   PHE  68           HA       PHE  68  -3.112  -0.940  -1.737
  476   1HB   PHE  68          1HB       PHE  68  -2.036   1.482  -2.359
  477   2HB   PHE  68          2HB       PHE  68  -3.256   2.061  -1.241
  478    HD1  PHE  68           HD1      PHE  68  -2.018   2.769   0.602
  479    HD2  PHE  68           HD2      PHE  68  -1.254  -1.069  -1.040
  480    HE1  PHE  68           HE1      PHE  68  -0.499   2.245   2.531
  481    HE2  PHE  68           HE2      PHE  68   0.264  -1.593   0.889
  482    HZ   PHE  68           HZ       PHE  68   0.623   0.071   2.651
  483    H    LEU  69           H        LEU  69  -5.477   1.753  -2.232
  484    HA   LEU  69           HA       LEU  69  -6.743   1.782   0.146
  485   1HB   LEU  69          1HB       LEU  69  -7.167   2.831  -2.333
  486   2HB   LEU  69          2HB       LEU  69  -8.547   1.762  -2.183
  487    HG   LEU  69           HG       LEU  69  -7.816   3.850  -0.115
  488   1HD1  LEU  69          1HD1      LEU  69  -8.573   5.420  -1.485
  489   2HD1  LEU  69          2HD1      LEU  69  -8.966   4.209  -2.729
  490   3HD1  LEU  69          3HD1      LEU  69 -10.162   4.618  -1.476
  491   1HD2  LEU  69          1HD2      LEU  69  -9.417   1.682   0.201
  492   2HD2  LEU  69          2HD2      LEU  69  -9.623   3.223   1.068
  493   3HD2  LEU  69          3HD2      LEU  69 -10.594   2.883  -0.384
  494    H    THR  70           H        THR  70  -7.299  -0.576  -2.545
  495    HA   THR  70           HA       THR  70  -9.323  -2.006  -1.238
  496    HB   THR  70           HB       THR  70  -7.320  -2.592  -3.463
  497    HG1  THR  70           HG1      THR  70 -10.180  -2.086  -3.065
  498   1HG2  THR  70          1HG2      THR  70  -8.213  -4.714  -3.826
  499   2HG2  THR  70          2HG2      THR  70  -8.367  -4.676  -2.053
  500   3HG2  THR  70          3HG2      THR  70  -9.772  -4.293  -3.077
  501    H    MET  71           H        MET  71  -5.743  -2.511  -1.330
  502    HA   MET  71           HA       MET  71  -5.627  -4.839   0.014
  503   1HB   MET  71          1HB       MET  71  -3.681  -3.552  -0.928
  504   2HB   MET  71          2HB       MET  71  -3.837  -2.367   0.354
  505   1HG   MET  71          1HG       MET  71  -3.422  -4.205   2.048
  506   2HG   MET  71          2HG       MET  71  -3.164  -5.326   0.727
  507   1HE   MET  71          1HE       MET  71   0.120  -5.472   1.505
  508   2HE   MET  71          2HE       MET  71  -1.321  -6.109   0.678
  509   3HE   MET  71          3HE       MET  71  -0.031  -5.321  -0.262
  510    H    MET  72           H        MET  72  -5.436  -1.549   1.570
  511    HA   MET  72           HA       MET  72  -5.469  -2.480   4.149
  512   1HB   MET  72          1HB       MET  72  -5.049  -0.089   3.162
  513   2HB   MET  72          2HB       MET  72  -6.789   0.116   3.205
  514   1HG   MET  72          1HG       MET  72  -5.762  -0.938   5.758
  515   2HG   MET  72          2HG       MET  72  -4.998   0.581   5.334
  516   1HE   MET  72          1HE       MET  72  -8.399   0.679   7.776
  517   2HE   MET  72          2HE       MET  72  -7.357  -0.724   7.439
  518   3HE   MET  72          3HE       MET  72  -6.631   0.831   7.912
  519    H    ALA  73           H        ALA  73  -8.263  -1.103   2.258
  520    HA   ALA  73           HA       ALA  73 -10.249  -1.449   4.044
  521   1HB   ALA  73          1HB       ALA  73 -10.081  -0.734   1.434
  522   2HB   ALA  73          2HB       ALA  73 -10.850  -2.330   1.259
  523   3HB   ALA  73          3HB       ALA  73 -11.624  -1.074   2.254
  524    H    ARG  74           H        ARG  74  -9.098  -3.964   1.683
  525    HA   ARG  74           HA       ARG  74 -10.786  -5.926   2.616
  526   1HB   ARG  74          1HB       ARG  74  -8.070  -6.053   1.228
  527   2HB   ARG  74          2HB       ARG  74  -9.001  -7.498   1.568
  528   1HG   ARG  74          1HG       ARG  74 -10.678  -5.438   0.316
  529   2HG   ARG  74          2HG       ARG  74  -9.276  -5.793  -0.674
  530   1HD   ARG  74          1HD       ARG  74 -11.106  -7.955   0.471
  531   2HD   ARG  74          2HD       ARG  74 -11.315  -7.265  -1.126
  532    HE   ARG  74           HE       ARG  74  -9.229  -8.264  -1.826
  533   1HH1  ARG  74          2HH2      ARG  74 -10.122  -9.080   1.478
  534   2HH1  ARG  74          1HH2      ARG  74  -9.042 -10.431   1.572
  535   1HH2  ARG  74          2HH1      ARG  74  -7.805 -10.046  -1.704
  536   2HH2  ARG  74          1HH1      ARG  74  -7.715 -10.984  -0.250
  537    H    LYS  75           H        LYS  75  -7.558  -4.813   3.692
  538    HA   LYS  75           HA       LYS  75  -6.909  -6.997   5.300
  539   1HB   LYS  75          1HB       LYS  75  -5.591  -4.816   4.487
  540   2HB   LYS  75          2HB       LYS  75  -6.053  -4.242   6.077
  541   1HG   LYS  75          1HG       LYS  75  -3.978  -5.313   6.471
  542   2HG   LYS  75          2HG       LYS  75  -5.151  -6.514   6.976
  543   1HD   LYS  75          1HD       LYS  75  -4.351  -6.593   4.087
  544   2HD   LYS  75          2HD       LYS  75  -3.111  -7.046   5.239
  545   1HE   LYS  75          1HE       LYS  75  -5.199  -8.470   6.270
  546   2HE   LYS  75          2HE       LYS  75  -5.698  -8.422   4.591
  547   1HZ   LYS  75          1HZ       LYS  75  -2.936  -9.025   4.918
  548   2HZ   LYS  75          2HZ       LYS  75  -3.911 -10.128   5.626
  549   3HZ   LYS  75          3HZ       LYS  75  -4.072  -9.798   4.035
  550    H    MET  76           H        MET  76  -8.352  -3.793   6.246
  551    HA   MET  76           HA       MET  76  -8.833  -4.525   8.851
  552   1HB   MET  76          1HB       MET  76 -10.438  -2.582   8.805
  553   2HB   MET  76          2HB       MET  76  -8.925  -2.188   8.014
  554   1HG   MET  76          1HG       MET  76  -9.885  -2.429   5.814
  555   2HG   MET  76          2HG       MET  76 -11.304  -3.248   6.435
  556   1HE   MET  76          1HE       MET  76 -12.801  -0.787   8.762
  557   2HE   MET  76          2HE       MET  76 -13.714  -1.241   7.304
  558   3HE   MET  76          3HE       MET  76 -12.684  -2.442   8.119
  559    H    LYS  77           H        LYS  77 -10.600  -5.258   5.871
  560    HA   LYS  77           HA       LYS  77 -13.091  -5.827   6.994
  561   1HB   LYS  77          1HB       LYS  77 -12.221  -5.600   4.500
  562   2HB   LYS  77          2HB       LYS  77 -12.060  -7.340   4.622
  563   1HG   LYS  77          1HG       LYS  77 -14.277  -7.459   4.134
  564   2HG   LYS  77          2HG       LYS  77 -14.572  -6.884   5.763
  565   1HD   LYS  77          1HD       LYS  77 -15.247  -4.826   5.039
  566   2HD   LYS  77          2HD       LYS  77 -13.900  -4.677   3.928
  567   1HE   LYS  77          1HE       LYS  77 -15.155  -5.356   2.147
  568   2HE   LYS  77          2HE       LYS  77 -15.814  -6.722   3.024
  569   1HZ   LYS  77          1HZ       LYS  77 -17.570  -5.517   3.714
  570   2HZ   LYS  77          2HZ       LYS  77 -16.764  -4.098   3.779
  571   3HZ   LYS  77          3HZ       LYS  77 -17.272  -4.683   2.341
  572    H    ASP  78           H        ASP  78 -10.380  -8.082   6.101
  573    HA   ASP  78           HA       ASP  78 -11.371 -10.381   6.923
  574   1HB   ASP  78          1HB       ASP  78  -8.733  -9.219   6.664
  575   2HB   ASP  78          2HB       ASP  78  -8.740 -10.228   8.097
  576    H    THR  79           H        THR  79  -9.444  -8.162   9.097
  577    HA   THR  79           HA       THR  79 -10.048  -9.542  11.462
  578    HB   THR  79           HB       THR  79  -8.150  -7.868  10.941
  579    HG1  THR  79           HG1      THR  79  -8.818  -8.649  13.109
  580   1HG2  THR  79          1HG2      THR  79  -9.448  -5.951  10.093
  581   2HG2  THR  79          2HG2      THR  79 -10.451  -5.943  11.564
  582   3HG2  THR  79          3HG2      THR  79  -8.729  -5.501  11.658
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1 -17.599   8.042  -0.666
    2    HA   ALA   1           HA       ALA   1 -20.460   7.687  -1.201
    3   1HB   ALA   1          1HB       ALA   1 -19.998   5.327  -0.498
    4   2HB   ALA   1          2HB       ALA   1 -19.052   5.834  -1.918
    5   3HB   ALA   1          3HB       ALA   1 -18.280   5.754  -0.317
    6    H    ASP   2           H        ASP   2 -18.166   8.731   1.148
    7    HA   ASP   2           HA       ASP   2 -18.241   9.096   3.291
    8   1HB   ASP   2          1HB       ASP   2 -21.252   9.335   2.831
    9   2HB   ASP   2          2HB       ASP   2 -20.383  10.001   4.199
   10    H    GLN   3           H        GLN   3 -18.279   6.311   2.655
   11    HA   GLN   3           HA       GLN   3 -20.071   5.291   4.721
   12   1HB   GLN   3          1HB       GLN   3 -20.058   3.126   3.469
   13   2HB   GLN   3          2HB       GLN   3 -20.759   4.438   2.543
   14   1HG   GLN   3          1HG       GLN   3 -19.036   4.465   1.004
   15   2HG   GLN   3          2HG       GLN   3 -17.812   4.093   2.202
   16   1HE2  GLN   3          1HE2      GLN   3 -17.084   2.690   0.427
   17   2HE2  GLN   3          2HE2      GLN   3 -17.701   1.075   0.318
   18    H    LEU   4           H        LEU   4 -16.815   5.373   3.288
   19    HA   LEU   4           HA       LEU   4 -15.585   4.752   5.712
   20   1HB   LEU   4          1HB       LEU   4 -16.259   2.530   5.571
   21   2HB   LEU   4          2HB       LEU   4 -16.016   2.452   3.838
   22    HG   LEU   4           HG       LEU   4 -14.352   1.144   5.083
   23   1HD1  LEU   4          1HD1      LEU   4 -12.660   1.599   3.640
   24   2HD1  LEU   4          2HD1      LEU   4 -13.920   2.605   2.887
   25   3HD1  LEU   4          3HD1      LEU   4 -12.706   3.351   3.953
   26   1HD2  LEU   4          1HD2      LEU   4 -14.370   3.153   6.922
   27   2HD2  LEU   4          2HD2      LEU   4 -13.122   1.889   6.806
   28   3HD2  LEU   4          3HD2      LEU   4 -12.847   3.482   6.061
   29    H    THR   5           H        THR   5 -15.296   4.325   2.121
   30    HA   THR   5           HA       THR   5 -12.566   4.895   1.992
   31    HB   THR   5           HB       THR   5 -14.432   3.977   0.266
   32    HG1  THR   5           HG1      THR   5 -11.963   4.279   0.190
   33   1HG2  THR   5          1HG2      THR   5 -15.086   6.676   0.191
   34   2HG2  THR   5          2HG2      THR   5 -13.878   6.559  -1.111
   35   3HG2  THR   5          3HG2      THR   5 -15.341   5.546  -1.160
   36    H    GLU   6           H        GLU   6 -15.304   6.972   2.620
   37    HA   GLU   6           HA       GLU   6 -14.217   9.325   1.618
   38   1HB   GLU   6          1HB       GLU   6 -16.575   9.190   2.157
   39   2HB   GLU   6          2HB       GLU   6 -16.239   8.777   3.827
   40   1HG   GLU   6          1HG       GLU   6 -14.842  11.208   3.382
   41   2HG   GLU   6          2HG       GLU   6 -16.382  11.419   2.572
   42    H    GLU   7           H        GLU   7 -14.384   8.119   5.053
   43    HA   GLU   7           HA       GLU   7 -12.612  10.109   5.937
   44   1HB   GLU   7          1HB       GLU   7 -12.578   8.681   8.053
   45   2HB   GLU   7          2HB       GLU   7 -14.161   9.216   7.527
   46   1HG   GLU   7          1HG       GLU   7 -14.803   7.078   6.793
   47   2HG   GLU   7          2HG       GLU   7 -13.154   6.562   6.501
   48    H    GLN   8           H        GLN   8 -12.259   6.809   4.669
   49    HA   GLN   8           HA       GLN   8  -9.664   6.407   5.643
   50   1HB   GLN   8          1HB       GLN   8 -11.507   5.085   3.706
   51   2HB   GLN   8          2HB       GLN   8  -9.802   4.788   3.431
   52   1HG   GLN   8          1HG       GLN   8 -11.103   4.453   6.169
   53   2HG   GLN   8          2HG       GLN   8 -11.004   3.144   5.008
   54   1HE2  GLN   8          1HE2      GLN   8  -9.301   1.892   5.059
   55   2HE2  GLN   8          2HE2      GLN   8  -7.766   2.239   5.783
   56    H    ILE   9           H        ILE   9 -10.983   7.510   2.449
   57    HA   ILE   9           HA       ILE   9  -8.665   7.723   1.047
   58    HB   ILE   9           HB       ILE   9 -11.242   9.234   1.054
   59   1HG1  ILE   9          1HG1      ILE   9 -10.823   6.868   0.096
   60   2HG1  ILE   9          2HG1      ILE   9 -11.722   8.027  -0.863
   61   1HG2  ILE   9          1HG2      ILE   9  -8.710  10.161  -0.152
   62   2HG2  ILE   9          2HG2      ILE   9 -10.112  10.124  -1.248
   63   3HG2  ILE   9          3HG2      ILE   9 -10.190  11.058   0.265
   64   1HD1  ILE   9          1HD1      ILE   9 -10.168   7.983  -2.512
   65   2HD1  ILE   9          2HD1      ILE   9  -8.852   8.301  -1.357
   66   3HD1  ILE   9          3HD1      ILE   9  -9.398   6.632  -1.646
   67    H    ALA  10           H        ALA  10 -10.019  10.029   3.469
   68    HA   ALA  10           HA       ALA  10  -8.139  12.039   3.104
   69   1HB   ALA  10          1HB       ALA  10 -10.345  11.995   4.447
   70   2HB   ALA  10          2HB       ALA  10  -9.380  11.289   5.766
   71   3HB   ALA  10          3HB       ALA  10  -8.983  12.907   5.140
   72    H    GLU  11           H        GLU  11  -8.078   9.016   5.055
   73    HA   GLU  11           HA       GLU  11  -5.669   9.676   6.338
   74   1HB   GLU  11          1HB       GLU  11  -7.335   7.180   6.017
   75   2HB   GLU  11          2HB       GLU  11  -5.710   7.026   6.655
   76   1HG   GLU  11          1HG       GLU  11  -6.185   8.420   8.542
   77   2HG   GLU  11          2HG       GLU  11  -7.624   9.090   7.799
   78    H    PHE  12           H        PHE  12  -6.528   7.636   3.472
   79    HA   PHE  12           HA       PHE  12  -3.968   6.694   2.965
   80   1HB   PHE  12          1HB       PHE  12  -6.338   7.432   1.145
   81   2HB   PHE  12          2HB       PHE  12  -4.988   6.451   0.609
   82    HD1  PHE  12           HD1      PHE  12  -4.730   4.931   3.313
   83    HD2  PHE  12           HD2      PHE  12  -8.004   5.759   0.743
   84    HE1  PHE  12           HE1      PHE  12  -5.900   2.870   4.139
   85    HE2  PHE  12           HE2      PHE  12  -9.174   3.698   1.570
   86    HZ   PHE  12           HZ       PHE  12  -8.108   2.278   3.258
   87    H    LYS  13           H        LYS  13  -5.675   9.674   1.830
   88    HA   LYS  13           HA       LYS  13  -4.018  10.589  -0.064
   89   1HB   LYS  13          1HB       LYS  13  -6.115  11.642   1.000
   90   2HB   LYS  13          2HB       LYS  13  -5.018  12.404   2.134
   91   1HG   LYS  13          1HG       LYS  13  -4.392  13.954   0.599
   92   2HG   LYS  13          2HG       LYS  13  -3.977  12.714  -0.567
   93   1HD   LYS  13          1HD       LYS  13  -5.709  13.944  -1.634
   94   2HD   LYS  13          2HD       LYS  13  -6.518  12.509  -1.038
   95   1HE   LYS  13          1HE       LYS  13  -7.987  14.160  -0.280
   96   2HE   LYS  13          2HE       LYS  13  -6.957  13.989   1.128
   97   1HZ   LYS  13          1HZ       LYS  13  -5.587  15.799  -0.027
   98   2HZ   LYS  13          2HZ       LYS  13  -6.949  16.102  -0.876
   99   3HZ   LYS  13          3HZ       LYS  13  -6.957  16.227   0.753
  100    H    GLU  14           H        GLU  14  -3.530  11.204   3.488
  101    HA   GLU  14           HA       GLU  14  -1.023  12.345   3.090
  102   1HB   GLU  14          1HB       GLU  14  -2.702  11.491   5.373
  103   2HB   GLU  14          2HB       GLU  14  -0.984  11.380   5.700
  104   1HG   GLU  14          1HG       GLU  14  -0.807  13.787   4.732
  105   2HG   GLU  14          2HG       GLU  14  -2.555  13.842   4.835
  106    H    ALA  15           H        ALA  15  -2.153   8.996   3.479
  107    HA   ALA  15           HA       ALA  15   0.309   7.849   4.173
  108   1HB   ALA  15          1HB       ALA  15  -1.805   6.456   2.525
  109   2HB   ALA  15          2HB       ALA  15  -0.800   5.811   3.844
  110   3HB   ALA  15          3HB       ALA  15  -2.140   6.924   4.209
  111    H    PHE  16           H        PHE  16  -1.392   8.024   0.959
  112    HA   PHE  16           HA       PHE  16   0.379   6.897  -0.655
  113   1HB   PHE  16          1HB       PHE  16  -1.770   8.168  -1.215
  114   2HB   PHE  16          2HB       PHE  16  -0.901   9.675  -1.006
  115    HD1  PHE  16           HD1      PHE  16   0.094   6.535  -2.759
  116    HD2  PHE  16           HD2      PHE  16  -0.790  10.672  -3.091
  117    HE1  PHE  16           HE1      PHE  16   0.763   6.483  -5.177
  118    HE2  PHE  16           HE2      PHE  16  -0.121  10.620  -5.510
  119    HZ   PHE  16           HZ       PHE  16   0.648   8.527  -6.524
  120    H    SER  17           H        SER  17   0.806  10.054   0.980
  121    HA   SER  17           HA       SER  17   2.996  10.861  -0.536
  122   1HB   SER  17          1HB       SER  17   1.700  12.419   0.855
  123   2HB   SER  17          2HB       SER  17   2.160  11.560   2.312
  124    HG   SER  17           HG       SER  17   4.410  12.133   1.845
  125    H    LEU  18           H        LEU  18   2.732   9.233   2.704
  126    HA   LEU  18           HA       LEU  18   5.539   8.950   2.971
  127   1HB   LEU  18          1HB       LEU  18   3.211   7.653   4.391
  128   2HB   LEU  18          2HB       LEU  18   4.889   7.429   4.845
  129    HG   LEU  18           HG       LEU  18   3.549  10.142   4.757
  130   1HD1  LEU  18          1HD1      LEU  18   2.845   9.972   6.921
  131   2HD1  LEU  18          2HD1      LEU  18   2.633   8.281   6.405
  132   3HD1  LEU  18          3HD1      LEU  18   4.068   8.751   7.348
  133   1HD2  LEU  18          1HD2      LEU  18   5.418  10.932   6.004
  134   2HD2  LEU  18          2HD2      LEU  18   6.048   9.283   6.232
  135   3HD2  LEU  18          3HD2      LEU  18   6.055  10.023   4.613
  136    H    PHE  19           H        PHE  19   2.846   6.721   2.019
  137    HA   PHE  19           HA       PHE  19   4.437   4.480   1.652
  138   1HB   PHE  19          1HB       PHE  19   1.742   5.385   1.300
  139   2HB   PHE  19          2HB       PHE  19   2.224   4.822  -0.288
  140    HD1  PHE  19           HD1      PHE  19   1.304   2.747  -0.671
  141    HD2  PHE  19           HD2      PHE  19   2.952   3.558   3.154
  142    HE1  PHE  19           HE1      PHE  19   0.845   0.380   0.028
  143    HE2  PHE  19           HE2      PHE  19   2.494   1.192   3.853
  144    HZ   PHE  19           HZ       PHE  19   1.446  -0.369   2.282
  145    H    ASP  20           H        ASP  20   3.499   7.123  -0.633
  146    HA   ASP  20           HA       ASP  20   5.098   5.865  -2.669
  147   1HB   ASP  20          1HB       ASP  20   2.786   7.118  -2.939
  148   2HB   ASP  20          2HB       ASP  20   3.754   8.578  -2.888
  149    H    LYS  21           H        LYS  21   6.870   6.430  -0.743
  150    HA   LYS  21           HA       LYS  21   7.740   9.044  -0.437
  151   1HB   LYS  21          1HB       LYS  21   9.860   7.997   0.318
  152   2HB   LYS  21          2HB       LYS  21   8.434   7.312   1.072
  153   1HG   LYS  21          1HG       LYS  21   8.489   5.483  -0.734
  154   2HG   LYS  21          2HG       LYS  21  10.052   6.110  -1.218
  155   1HD   LYS  21          1HD       LYS  21  11.009   5.642   0.980
  156   2HD   LYS  21          2HD       LYS  21   9.435   5.253   1.644
  157   1HE   LYS  21          1HE       LYS  21   9.570   3.105   0.911
  158   2HE   LYS  21          2HE       LYS  21   9.935   3.620  -0.723
  159   1HZ   LYS  21          1HZ       LYS  21  12.058   3.890   1.211
  160   2HZ   LYS  21          2HZ       LYS  21  11.663   2.366   0.778
  161   3HZ   LYS  21          3HZ       LYS  21  12.129   3.442  -0.358
  162    H    ASP  22           H        ASP  22   8.397   6.599  -2.975
  163    HA   ASP  22           HA       ASP  22  10.536   7.738  -4.168
  164   1HB   ASP  22          1HB       ASP  22   8.187   6.120  -5.101
  165   2HB   ASP  22          2HB       ASP  22   9.133   6.894  -6.357
  166    H    GLY  23           H        GLY  23   7.013   8.498  -4.500
  167   1HA   GLY  23          1HA       GLY  23   5.984  10.410  -5.128
  168   2HA   GLY  23          2HA       GLY  23   7.541  11.206  -5.241
  169    H    ASP  24           H        ASP  24   6.368   8.232  -6.947
  170    HA   ASP  24           HA       ASP  24   6.905   9.669  -9.423
  171   1HB   ASP  24          1HB       ASP  24   6.906   7.185 -10.324
  172   2HB   ASP  24          2HB       ASP  24   8.318   7.807  -9.493
  173    H    GLY  25           H        GLY  25   4.545   8.085  -7.383
  174   1HA   GLY  25          1HA       GLY  25   2.230   8.558  -7.839
  175   2HA   GLY  25          2HA       GLY  25   2.533   8.271  -9.541
  176    H    THR  26           H        THR  26   4.432   6.054  -7.844
  177    HA   THR  26           HA       THR  26   2.283   4.097  -7.541
  178    HB   THR  26           HB       THR  26   4.011   2.535  -8.860
  179    HG1  THR  26           HG1      THR  26   5.467   4.517  -8.940
  180   1HG2  THR  26          1HG2      THR  26   1.630   3.540  -9.616
  181   2HG2  THR  26          2HG2      THR  26   2.657   4.553 -10.658
  182   3HG2  THR  26          3HG2      THR  26   2.716   2.780 -10.805
  183    H    ILE  27           H        ILE  27   2.598   2.633  -5.914
  184    HA   ILE  27           HA       ILE  27   4.965   3.157  -4.294
  185    HB   ILE  27           HB       ILE  27   2.186   2.297  -3.803
  186   1HG1  ILE  27          1HG1      ILE  27   2.879   3.520  -1.579
  187   2HG1  ILE  27          2HG1      ILE  27   4.248   4.069  -2.525
  188   1HG2  ILE  27          1HG2      ILE  27   2.967   1.320  -1.549
  189   2HG2  ILE  27          2HG2      ILE  27   3.053   0.290  -2.998
  190   3HG2  ILE  27          3HG2      ILE  27   4.527   1.063  -2.367
  191   1HD1  ILE  27          1HD1      ILE  27   2.951   5.393  -3.909
  192   2HD1  ILE  27          2HD1      ILE  27   1.556   4.289  -3.831
  193   3HD1  ILE  27          3HD1      ILE  27   1.892   5.396  -2.478
  194    H    THR  28           H        THR  28   6.654   1.996  -5.175
  195    HA   THR  28           HA       THR  28   6.334  -0.571  -6.297
  196    HB   THR  28           HB       THR  28   8.694   1.089  -5.295
  197    HG1  THR  28           HG1      THR  28   8.899   0.998  -7.757
  198   1HG2  THR  28          1HG2      THR  28  10.172  -0.591  -5.810
  199   2HG2  THR  28          2HG2      THR  28   8.787  -1.696  -5.643
  200   3HG2  THR  28          3HG2      THR  28   9.236  -1.068  -7.247
  201    H    THR  29           H        THR  29   6.764  -2.642  -5.528
  202    HA   THR  29           HA       THR  29   5.845  -3.375  -3.126
  203    HB   THR  29           HB       THR  29   7.101  -5.459  -3.496
  204    HG1  THR  29           HG1      THR  29   8.589  -3.751  -5.364
  205   1HG2  THR  29          1HG2      THR  29   5.420  -4.539  -5.379
  206   2HG2  THR  29          2HG2      THR  29   6.922  -4.387  -6.320
  207   3HG2  THR  29          3HG2      THR  29   6.424  -5.975  -5.689
  208    H    LYS  30           H        LYS  30   9.135  -2.109  -3.771
  209    HA   LYS  30           HA       LYS  30  10.144  -2.695  -1.221
  210   1HB   LYS  30          1HB       LYS  30  11.990  -1.340  -1.837
  211   2HB   LYS  30          2HB       LYS  30  11.461  -2.156  -3.295
  212   1HG   LYS  30          1HG       LYS  30  10.103  -0.083  -3.883
  213   2HG   LYS  30          2HG       LYS  30  10.816   0.721  -2.499
  214   1HD   LYS  30          1HD       LYS  30  13.119   0.162  -3.501
  215   2HD   LYS  30          2HD       LYS  30  12.279  -0.360  -4.948
  216   1HE   LYS  30          1HE       LYS  30  11.159   2.175  -4.344
  217   2HE   LYS  30          2HE       LYS  30  12.874   2.363  -4.035
  218   1HZ   LYS  30          1HZ       LYS  30  13.375   1.736  -6.199
  219   2HZ   LYS  30          2HZ       LYS  30  11.898   1.103  -6.490
  220   3HZ   LYS  30          3HZ       LYS  30  12.084   2.721  -6.373
  221    H    GLU  31           H        GLU  31   8.694   0.325  -2.619
  222    HA   GLU  31           HA       GLU  31   8.926   1.931  -0.485
  223   1HB   GLU  31          1HB       GLU  31   6.516   1.679  -2.338
  224   2HB   GLU  31          2HB       GLU  31   6.838   3.061  -1.311
  225   1HG   GLU  31          1HG       GLU  31   9.086   3.323  -2.477
  226   2HG   GLU  31          2HG       GLU  31   8.615   2.042  -3.576
  227    H    LEU  32           H        LEU  32   6.707  -0.825  -0.908
  228    HA   LEU  32           HA       LEU  32   5.051  -0.164   1.298
  229   1HB   LEU  32          1HB       LEU  32   4.474  -1.597  -0.692
  230   2HB   LEU  32          2HB       LEU  32   5.469  -2.859   0.007
  231    HG   LEU  32           HG       LEU  32   2.955  -1.661   1.198
  232   1HD1  LEU  32          1HD1      LEU  32   1.822  -3.357   0.306
  233   2HD1  LEU  32          2HD1      LEU  32   3.254  -3.651  -0.710
  234   3HD1  LEU  32          3HD1      LEU  32   3.043  -4.548   0.813
  235   1HD2  LEU  32          1HD2      LEU  32   5.014  -3.504   2.385
  236   2HD2  LEU  32          2HD2      LEU  32   4.223  -2.078   3.097
  237   3HD2  LEU  32          3HD2      LEU  32   3.309  -3.591   2.889
  238    H    GLY  33           H        GLY  33   7.605  -2.713   0.828
  239   1HA   GLY  33          1HA       GLY  33   7.727  -3.631   3.415
  240   2HA   GLY  33          2HA       GLY  33   9.066  -3.606   2.286
  241    H    THR  34           H        THR  34   9.278  -0.719   1.948
  242    HA   THR  34           HA       THR  34  10.917  -0.134   4.163
  243    HB   THR  34           HB       THR  34   9.846   1.354   1.735
  244    HG1  THR  34           HG1      THR  34  12.367   0.403   2.890
  245   1HG2  THR  34          1HG2      THR  34  10.325   3.361   2.727
  246   2HG2  THR  34          2HG2      THR  34  10.922   2.553   4.197
  247   3HG2  THR  34          3HG2      THR  34  12.016   2.813   2.817
  248    H    VAL  35           H        VAL  35   7.808   1.433   3.124
  249    HA   VAL  35           HA       VAL  35   7.461   3.073   5.237
  250    HB   VAL  35           HB       VAL  35   5.392   1.399   3.799
  251   1HG1  VAL  35          1HG1      VAL  35   3.876   2.274   5.181
  252   2HG1  VAL  35          2HG1      VAL  35   5.119   3.245   6.006
  253   3HG1  VAL  35          3HG1      VAL  35   4.301   3.887   4.561
  254   1HG2  VAL  35          1HG2      VAL  35   5.727   4.257   3.129
  255   2HG2  VAL  35          2HG2      VAL  35   7.107   3.219   2.700
  256   3HG2  VAL  35          3HG2      VAL  35   5.485   2.847   2.070
  257    H    MET  36           H        MET  36   6.443  -0.409   5.065
  258    HA   MET  36           HA       MET  36   5.247  -0.737   7.389
  259   1HB   MET  36          1HB       MET  36   7.457  -2.478   6.165
  260   2HB   MET  36          2HB       MET  36   6.399  -3.043   7.442
  261   1HG   MET  36          1HG       MET  36   5.152  -1.859   4.952
  262   2HG   MET  36          2HG       MET  36   5.800  -3.485   4.873
  263   1HE   MET  36          1HE       MET  36   5.038  -5.269   5.472
  264   2HE   MET  36          2HE       MET  36   4.235  -5.624   7.021
  265   3HE   MET  36          3HE       MET  36   3.272  -5.481   5.531
  266    H    ARG  37           H        ARG  37   8.864  -0.829   7.006
  267    HA   ARG  37           HA       ARG  37   9.438  -1.238   9.636
  268   1HB   ARG  37          1HB       ARG  37  10.909   0.134   7.362
  269   2HB   ARG  37          2HB       ARG  37  11.621   0.135   8.963
  270   1HG   ARG  37          1HG       ARG  37  10.917  -2.513   8.752
  271   2HG   ARG  37          2HG       ARG  37  11.216  -2.141   7.066
  272   1HD   ARG  37          1HD       ARG  37  13.306  -0.994   8.788
  273   2HD   ARG  37          2HD       ARG  37  13.161  -2.723   9.036
  274    HE   ARG  37           HE       ARG  37  14.028  -3.074   6.893
  275   1HH1  ARG  37          2HH2      ARG  37  12.859   0.237   7.123
  276   2HH1  ARG  37          1HH2      ARG  37  13.479   0.698   5.573
  277   1HH2  ARG  37          2HH1      ARG  37  14.846  -2.466   4.848
  278   2HH2  ARG  37          1HH1      ARG  37  14.617  -0.849   4.270
  279    H    SER  38           H        SER  38   8.861   1.833   7.823
  280    HA   SER  38           HA       SER  38   9.651   3.640   9.655
  281   1HB   SER  38          1HB       SER  38   8.259   3.704   7.270
  282   2HB   SER  38          2HB       SER  38   7.034   4.270   8.389
  283    HG   SER  38           HG       SER  38   8.010   6.165   8.268
  284    H    LEU  39           H        LEU  39   6.984   1.368   9.850
  285    HA   LEU  39           HA       LEU  39   5.666   2.859  11.956
  286   1HB   LEU  39          1HB       LEU  39   5.080   0.303  10.481
  287   2HB   LEU  39          2HB       LEU  39   4.195   0.756  11.924
  288    HG   LEU  39           HG       LEU  39   4.319   2.289   9.314
  289   1HD1  LEU  39          1HD1      LEU  39   2.850   0.503   8.996
  290   2HD1  LEU  39          2HD1      LEU  39   2.211   0.603  10.654
  291   3HD1  LEU  39          3HD1      LEU  39   1.788   1.854   9.460
  292   1HD2  LEU  39          1HD2      LEU  39   3.492   3.133  12.030
  293   2HD2  LEU  39          2HD2      LEU  39   4.066   4.092  10.645
  294   3HD2  LEU  39          3HD2      LEU  39   2.374   3.541  10.706
  295    H    GLY  40           H        GLY  40   7.826   0.054  11.465
  296   1HA   GLY  40          1HA       GLY  40   9.259  -0.012  13.633
  297   2HA   GLY  40          2HA       GLY  40   7.743  -0.534  14.340
  298    H    GLN  41           H        GLN  41   6.597  -2.172  12.415
  299    HA   GLN  41           HA       GLN  41   7.706  -4.557  12.850
  300   1HB   GLN  41          1HB       GLN  41   6.578  -5.173  10.536
  301   2HB   GLN  41          2HB       GLN  41   5.589  -4.664  11.890
  302   1HG   GLN  41          1HG       GLN  41   6.485  -2.299  10.479
  303   2HG   GLN  41          2HG       GLN  41   5.830  -3.425   9.306
  304   1HE2  GLN  41          1HE2      GLN  41   5.172  -1.158  11.729
  305   2HE2  GLN  41          2HE2      GLN  41   3.453  -1.338  11.844
  306    H    ASN  42           H        ASN  42   8.673  -6.135  11.100
  307    HA   ASN  42           HA       ASN  42  10.579  -4.701   9.453
  308   1HB   ASN  42          1HB       ASN  42  11.167  -6.620  11.705
  309   2HB   ASN  42          2HB       ASN  42  12.155  -6.774  10.266
  310   1HD2  ASN  42          1HD2      ASN  42  10.826  -4.300  12.452
  311   2HD2  ASN  42          2HD2      ASN  42  12.221  -3.275  12.502
  312    HA   PRO  43           HA       PRO  43   8.530  -8.398   7.581
  313   1HB   PRO  43          1HB       PRO  43   7.074  -7.155   5.631
  314   2HB   PRO  43          2HB       PRO  43   6.406  -7.602   7.188
  315   1HG   PRO  43          1HG       PRO  43   7.183  -4.925   6.205
  316   2HG   PRO  43          2HG       PRO  43   6.143  -5.340   7.553
  317   1HD   PRO  43          1HD       PRO  43   8.862  -4.438   7.697
  318   2HD   PRO  43          2HD       PRO  43   7.860  -4.963   9.035
  319    H    THR  44           H        THR  44   8.610  -9.265   5.273
  320    HA   THR  44           HA       THR  44  11.105  -8.188   4.143
  321    HB   THR  44           HB       THR  44  11.026 -10.628   3.096
  322    HG1  THR  44           HG1      THR  44   9.752 -11.981   4.633
  323   1HG2  THR  44          1HG2      THR  44  12.269 -11.496   4.923
  324   2HG2  THR  44          2HG2      THR  44  12.484  -9.741   5.129
  325   3HG2  THR  44          3HG2      THR  44  11.293 -10.615   6.123
  326    H    GLU  45           H        GLU  45  11.307  -7.812   1.919
  327    HA   GLU  45           HA       GLU  45   8.985  -6.833   0.750
  328   1HB   GLU  45          1HB       GLU  45  10.411  -6.443  -1.235
  329   2HB   GLU  45          2HB       GLU  45  11.225  -5.948   0.237
  330   1HG   GLU  45          1HG       GLU  45  12.427  -8.167   0.283
  331   2HG   GLU  45          2HG       GLU  45  11.656  -8.594  -1.232
  332    H    ALA  46           H        ALA  46  10.337 -10.033   0.923
  333    HA   ALA  46           HA       ALA  46   9.310 -11.022  -1.525
  334   1HB   ALA  46          1HB       ALA  46  11.181 -11.952   0.003
  335   2HB   ALA  46          2HB       ALA  46   9.859 -12.643   0.975
  336   3HB   ALA  46          3HB       ALA  46  10.055 -13.120  -0.728
  337    H    GLU  47           H        GLU  47   8.230 -11.415   1.930
  338    HA   GLU  47           HA       GLU  47   5.902 -12.717   1.335
  339   1HB   GLU  47          1HB       GLU  47   6.785 -10.970   3.642
  340   2HB   GLU  47          2HB       GLU  47   5.146 -11.588   3.604
  341   1HG   GLU  47          1HG       GLU  47   6.537 -13.880   3.002
  342   2HG   GLU  47          2HG       GLU  47   7.721 -13.056   3.997
  343    H    LEU  48           H        LEU  48   6.650  -9.208   1.396
  344    HA   LEU  48           HA       LEU  48   3.950  -8.392   1.119
  345   1HB   LEU  48          1HB       LEU  48   6.636  -7.087   0.896
  346   2HB   LEU  48          2HB       LEU  48   5.213  -6.241   0.322
  347    HG   LEU  48           HG       LEU  48   5.631  -5.495   2.534
  348   1HD1  LEU  48          1HD1      LEU  48   3.504  -7.329   3.373
  349   2HD1  LEU  48          2HD1      LEU  48   3.502  -5.557   3.209
  350   3HD1  LEU  48          3HD1      LEU  48   3.220  -6.584   1.782
  351   1HD2  LEU  48          1HD2      LEU  48   7.029  -6.946   3.611
  352   2HD2  LEU  48          2HD2      LEU  48   5.495  -7.344   4.420
  353   3HD2  LEU  48          3HD2      LEU  48   6.109  -8.386   3.115
  354    H    GLN  49           H        GLN  49   6.516  -9.462  -1.080
  355    HA   GLN  49           HA       GLN  49   5.635  -8.343  -3.404
  356   1HB   GLN  49          1HB       GLN  49   7.747  -9.711  -3.003
  357   2HB   GLN  49          2HB       GLN  49   6.767 -11.158  -3.120
  358   1HG   GLN  49          1HG       GLN  49   6.085 -10.566  -5.419
  359   2HG   GLN  49          2HG       GLN  49   6.929  -9.034  -5.309
  360   1HE2  GLN  49          1HE2      GLN  49   7.719 -10.262  -7.354
  361   2HE2  GLN  49          2HE2      GLN  49   9.215 -11.119  -7.187
  362    H    ASP  50           H        ASP  50   4.410 -11.185  -1.606
  363    HA   ASP  50           HA       ASP  50   2.784 -12.112  -3.684
  364   1HB   ASP  50          1HB       ASP  50   3.323 -13.630  -1.905
  365   2HB   ASP  50          2HB       ASP  50   2.825 -12.492  -0.670
  366    H    MET  51           H        MET  51   2.472  -9.729  -1.032
  367    HA   MET  51           HA       MET  51  -0.326  -9.514  -1.178
  368   1HB   MET  51          1HB       MET  51   1.954  -7.860  -0.016
  369   2HB   MET  51          2HB       MET  51   0.328  -7.207   0.001
  370   1HG   MET  51          1HG       MET  51   0.261  -9.967   0.930
  371   2HG   MET  51          2HG       MET  51   1.475  -9.083   1.834
  372   1HE   MET  51          1HE       MET  51   1.291  -7.841   3.428
  373   2HE   MET  51          2HE       MET  51   0.295  -6.367   3.360
  374   3HE   MET  51          3HE       MET  51  -0.163  -7.702   4.445
  375    H    ILE  52           H        ILE  52   2.354  -7.319  -2.306
  376    HA   ILE  52           HA       ILE  52   0.802  -5.444  -3.547
  377    HB   ILE  52           HB       ILE  52   2.820  -5.083  -4.998
  378   1HG1  ILE  52          1HG1      ILE  52   4.835  -6.483  -3.877
  379   2HG1  ILE  52          2HG1      ILE  52   3.566  -7.686  -3.765
  380   1HG2  ILE  52          1HG2      ILE  52   3.367  -3.730  -3.331
  381   2HG2  ILE  52          2HG2      ILE  52   2.455  -4.742  -2.185
  382   3HG2  ILE  52          3HG2      ILE  52   4.174  -5.081  -2.500
  383   1HD1  ILE  52          1HD1      ILE  52   5.078  -7.388  -5.983
  384   2HD1  ILE  52          2HD1      ILE  52   3.383  -7.926  -6.059
  385   3HD1  ILE  52          3HD1      ILE  52   3.790  -6.222  -6.375
  386    H    ASN  53           H        ASN  53   1.905  -8.647  -4.769
  387    HA   ASN  53           HA       ASN  53   1.031  -8.290  -7.359
  388   1HB   ASN  53          1HB       ASN  53   2.351 -10.274  -6.031
  389   2HB   ASN  53          2HB       ASN  53   0.762 -11.011  -6.086
  390   1HD2  ASN  53          1HD2      ASN  53   3.630 -10.750  -7.632
  391   2HD2  ASN  53          2HD2      ASN  53   3.185 -11.147  -9.258
  392    H    GLU  54           H        GLU  54  -0.599  -9.266  -4.317
  393    HA   GLU  54           HA       GLU  54  -2.937 -10.204  -5.562
  394   1HB   GLU  54          1HB       GLU  54  -2.365 -10.954  -3.324
  395   2HB   GLU  54          2HB       GLU  54  -2.324  -9.312  -2.715
  396   1HG   GLU  54          1HG       GLU  54  -4.510  -9.540  -2.157
  397   2HG   GLU  54          2HG       GLU  54  -4.890  -9.544  -3.868
  398    H    VAL  55           H        VAL  55  -2.251  -7.181  -3.646
  399    HA   VAL  55           HA       VAL  55  -4.685  -5.964  -4.214
  400    HB   VAL  55           HB       VAL  55  -3.737  -4.033  -3.284
  401   1HG1  VAL  55          1HG1      VAL  55  -1.873  -5.548  -1.717
  402   2HG1  VAL  55          2HG1      VAL  55  -3.517  -5.013  -1.295
  403   3HG1  VAL  55          3HG1      VAL  55  -3.270  -6.580  -2.103
  404   1HG2  VAL  55          1HG2      VAL  55  -1.859  -3.367  -4.379
  405   2HG2  VAL  55          2HG2      VAL  55  -1.061  -4.136  -2.986
  406   3HG2  VAL  55          3HG2      VAL  55  -1.219  -5.021  -4.523
  407    H    ASP  56           H        ASP  56  -1.621  -6.177  -6.037
  408    HA   ASP  56           HA       ASP  56  -2.186  -4.132  -7.822
  409   1HB   ASP  56          1HB       ASP  56   0.057  -5.082  -7.621
  410   2HB   ASP  56          2HB       ASP  56  -0.521  -6.675  -8.069
  411    H    ALA  57           H        ALA  57  -4.030  -4.120  -9.127
  412    HA   ALA  57           HA       ALA  57  -4.961  -6.703 -10.158
  413   1HB   ALA  57          1HB       ALA  57  -6.884  -4.744 -10.700
  414   2HB   ALA  57          2HB       ALA  57  -6.917  -5.917  -9.361
  415   3HB   ALA  57          3HB       ALA  57  -6.240  -4.291  -9.104
  416    H    ASP  58           H        ASP  58  -4.217  -3.278 -11.060
  417    HA   ASP  58           HA       ASP  58  -4.813  -3.231 -13.627
  418   1HB   ASP  58          1HB       ASP  58  -2.019  -2.377 -12.820
  419   2HB   ASP  58          2HB       ASP  58  -3.130  -1.569 -13.908
  420    H    GLY  59           H        GLY  59  -2.245  -5.130 -12.046
  421   1HA   GLY  59          1HA       GLY  59  -1.329  -7.070 -12.919
  422   2HA   GLY  59          2HA       GLY  59  -1.775  -6.578 -14.540
  423    H    ASP  60           H        ASP  60   0.671  -6.434 -12.015
  424    HA   ASP  60           HA       ASP  60   2.678  -5.898 -13.824
  425   1HB   ASP  60          1HB       ASP  60   3.313  -3.598 -12.641
  426   2HB   ASP  60          2HB       ASP  60   2.247  -3.622 -14.032
  427    H    GLY  61           H        GLY  61   1.819  -4.727 -10.469
  428   1HA   GLY  61          1HA       GLY  61   2.535  -6.333  -8.674
  429   2HA   GLY  61          2HA       GLY  61   4.115  -6.274  -9.430
  430    H    THR  62           H        THR  62   1.670  -3.654  -8.837
  431    HA   THR  62           HA       THR  62   3.465  -2.451  -6.886
  432    HB   THR  62           HB       THR  62   2.502  -0.923  -9.355
  433    HG1  THR  62           HG1      THR  62   5.121  -2.034  -8.639
  434   1HG2  THR  62          1HG2      THR  62   4.516  -0.403  -7.115
  435   2HG2  THR  62          2HG2      THR  62   4.557   0.486  -8.657
  436   3HG2  THR  62          3HG2      THR  62   3.136   0.615  -7.593
  437    H    ILE  63           H        ILE  63   2.422  -0.557  -5.781
  438    HA   ILE  63           HA       ILE  63  -0.422  -1.177  -5.505
  439    HB   ILE  63           HB       ILE  63   1.166   0.509  -3.605
  440   1HG1  ILE  63          1HG1      ILE  63   1.222  -2.514  -3.790
  441   2HG1  ILE  63          2HG1      ILE  63   2.583  -1.415  -3.896
  442   1HG2  ILE  63          1HG2      ILE  63  -0.868   0.548  -2.683
  443   2HG2  ILE  63          2HG2      ILE  63  -1.451  -0.807  -3.679
  444   3HG2  ILE  63          3HG2      ILE  63  -0.532  -1.129  -2.189
  445   1HD1  ILE  63          1HD1      ILE  63   1.032  -2.296  -1.487
  446   2HD1  ILE  63          2HD1      ILE  63   2.773  -1.971  -1.662
  447   3HD1  ILE  63          3HD1      ILE  63   1.628  -0.619  -1.491
  448    H    ASP  64           H        ASP  64  -1.596   1.023  -4.591
  449    HA   ASP  64           HA       ASP  64  -0.738   3.389  -5.796
  450   1HB   ASP  64          1HB       ASP  64  -1.558   1.983  -7.808
  451   2HB   ASP  64          2HB       ASP  64  -3.167   2.114  -7.127
  452    H    PHE  65           H        PHE  65  -3.008   4.893  -5.958
  453    HA   PHE  65           HA       PHE  65  -3.916   5.071  -3.347
  454   1HB   PHE  65          1HB       PHE  65  -4.060   6.456  -5.814
  455   2HB   PHE  65          2HB       PHE  65  -5.735   6.040  -5.508
  456    HD1  PHE  65           HD1      PHE  65  -2.811   7.455  -3.658
  457    HD2  PHE  65           HD2      PHE  65  -7.000   7.556  -4.326
  458    HE1  PHE  65           HE1      PHE  65  -3.012   9.411  -2.098
  459    HE2  PHE  65           HE2      PHE  65  -7.202   9.512  -2.766
  460    HZ   PHE  65           HZ       PHE  65  -5.205  10.416  -1.671
  461    HA   PRO  66           HA       PRO  66  -7.816   2.865  -4.886
  462   1HB   PRO  66          1HB       PRO  66  -7.836   1.657  -7.337
  463   2HB   PRO  66          2HB       PRO  66  -8.461   3.270  -7.058
  464   1HG   PRO  66          1HG       PRO  66  -5.933   2.462  -8.360
  465   2HG   PRO  66          2HG       PRO  66  -6.769   4.000  -8.446
  466   1HD   PRO  66          1HD       PRO  66  -4.429   3.404  -6.898
  467   2HD   PRO  66          2HD       PRO  66  -5.333   4.905  -6.896
  468    H    GLU  67           H        GLU  67  -4.831   1.401  -5.945
  469    HA   GLU  67           HA       GLU  67  -5.705  -1.207  -5.413
  470   1HB   GLU  67          1HB       GLU  67  -2.859  -0.113  -5.513
  471   2HB   GLU  67          2HB       GLU  67  -3.310  -1.802  -5.639
  472   1HG   GLU  67          1HG       GLU  67  -4.684  -1.232  -7.692
  473   2HG   GLU  67          2HG       GLU  67  -4.094   0.415  -7.589
  474    H    PHE  68           H        PHE  68  -3.698   1.178  -3.559
  475    HA   PHE  68           HA       PHE  68  -3.130  -0.423  -1.394
  476   1HB   PHE  68          1HB       PHE  68  -2.207   1.866  -1.918
  477   2HB   PHE  68          2HB       PHE  68  -3.784   2.576  -1.634
  478    HD1  PHE  68           HD1      PHE  68  -0.662   1.873  -0.198
  479    HD2  PHE  68           HD2      PHE  68  -4.786   2.127   0.767
  480    HE1  PHE  68           HE1      PHE  68  -0.076   2.210   2.219
  481    HE2  PHE  68           HE2      PHE  68  -4.200   2.464   3.184
  482    HZ   PHE  68           HZ       PHE  68  -1.852   2.501   3.882
  483    H    LEU  69           H        LEU  69  -5.849   1.976  -1.734
  484    HA   LEU  69           HA       LEU  69  -7.076   1.698   0.618
  485   1HB   LEU  69          1HB       LEU  69  -8.383   3.070  -0.504
  486   2HB   LEU  69          2HB       LEU  69  -7.804   2.467  -2.045
  487    HG   LEU  69           HG       LEU  69  -9.476   0.564  -1.800
  488   1HD1  LEU  69          1HD1      LEU  69 -11.160   2.169   0.005
  489   2HD1  LEU  69          2HD1      LEU  69 -10.911   0.409  -0.085
  490   3HD1  LEU  69          3HD1      LEU  69  -9.735   1.431   0.775
  491   1HD2  LEU  69          1HD2      LEU  69 -10.268   3.445  -2.182
  492   2HD2  LEU  69          2HD2      LEU  69  -9.998   2.176  -3.401
  493   3HD2  LEU  69          3HD2      LEU  69 -11.446   2.123  -2.367
  494    H    THR  70           H        THR  70  -7.477  -0.573  -2.183
  495    HA   THR  70           HA       THR  70  -9.257  -2.307  -0.980
  496    HB   THR  70           HB       THR  70  -6.985  -2.871  -2.959
  497    HG1  THR  70           HG1      THR  70  -8.884  -2.405  -4.413
  498   1HG2  THR  70          1HG2      THR  70  -9.455  -4.381  -2.080
  499   2HG2  THR  70          2HG2      THR  70  -9.027  -4.401  -3.807
  500   3HG2  THR  70          3HG2      THR  70  -7.876  -5.018  -2.598
  501    H    MET  71           H        MET  71  -5.643  -2.351  -0.861
  502    HA   MET  71           HA       MET  71  -5.361  -4.668   0.517
  503   1HB   MET  71          1HB       MET  71  -3.516  -3.220  -0.415
  504   2HB   MET  71          2HB       MET  71  -3.798  -2.047   0.856
  505   1HG   MET  71          1HG       MET  71  -1.880  -3.525   1.419
  506   2HG   MET  71          2HG       MET  71  -3.176  -3.711   2.584
  507   1HE   MET  71          1HE       MET  71  -4.072  -5.446   3.285
  508   2HE   MET  71          2HE       MET  71  -4.286  -7.059   2.564
  509   3HE   MET  71          3HE       MET  71  -2.737  -6.622   3.324
  510    H    MET  72           H        MET  72  -5.502  -1.334   1.983
  511    HA   MET  72           HA       MET  72  -5.562  -2.242   4.587
  512   1HB   MET  72          1HB       MET  72  -5.399   0.196   3.333
  513   2HB   MET  72          2HB       MET  72  -7.069   0.269   3.858
  514   1HG   MET  72          1HG       MET  72  -6.278   0.957   5.880
  515   2HG   MET  72          2HG       MET  72  -5.753  -0.695   6.136
  516   1HE   MET  72          1HE       MET  72  -2.972   2.074   7.132
  517   2HE   MET  72          2HE       MET  72  -4.362   2.865   6.350
  518   3HE   MET  72          3HE       MET  72  -4.630   1.579   7.551
  519    H    ALA  73           H        ALA  73  -8.321  -1.015   2.547
  520    HA   ALA  73           HA       ALA  73 -10.359  -1.439   4.283
  521   1HB   ALA  73          1HB       ALA  73 -10.816  -2.263   1.450
  522   2HB   ALA  73          2HB       ALA  73 -11.692  -1.082   2.453
  523   3HB   ALA  73          3HB       ALA  73 -10.137  -0.639   1.710
  524    H    ARG  74           H        ARG  74  -9.055  -3.850   1.892
  525    HA   ARG  74           HA       ARG  74 -10.699  -5.892   2.719
  526   1HB   ARG  74          1HB       ARG  74  -7.951  -5.860   1.398
  527   2HB   ARG  74          2HB       ARG  74  -8.788  -7.367   1.712
  528   1HG   ARG  74          1HG       ARG  74 -10.425  -5.252   0.373
  529   2HG   ARG  74          2HG       ARG  74  -9.100  -5.888  -0.581
  530   1HD   ARG  74          1HD       ARG  74  -9.933  -8.226  -0.142
  531   2HD   ARG  74          2HD       ARG  74 -11.282  -7.562   0.758
  532    HE   ARG  74           HE       ARG  74 -11.021  -6.457  -1.950
  533   1HH1  ARG  74          2HH2      ARG  74 -12.406  -9.034   0.005
  534   2HH1  ARG  74          1HH2      ARG  74 -13.666  -9.391  -1.129
  535   1HH2  ARG  74          2HH1      ARG  74 -12.683  -6.926  -3.446
  536   2HH2  ARG  74          1HH1      ARG  74 -13.825  -8.184  -3.105
  537    H    LYS  75           H        LYS  75  -7.518  -4.734   3.905
  538    HA   LYS  75           HA       LYS  75  -6.687  -6.843   5.408
  539   1HB   LYS  75          1HB       LYS  75  -6.090  -4.079   5.159
  540   2HB   LYS  75          2HB       LYS  75  -6.266  -4.400   6.872
  541   1HG   LYS  75          1HG       LYS  75  -4.706  -6.410   5.267
  542   2HG   LYS  75          2HG       LYS  75  -3.951  -4.850   5.531
  543   1HD   LYS  75          1HD       LYS  75  -3.252  -5.776   7.506
  544   2HD   LYS  75          2HD       LYS  75  -4.861  -5.366   8.068
  545   1HE   LYS  75          1HE       LYS  75  -5.365  -7.560   8.348
  546   2HE   LYS  75          2HE       LYS  75  -5.028  -7.886   6.660
  547   1HZ   LYS  75          1HZ       LYS  75  -2.604  -7.809   7.438
  548   2HZ   LYS  75          2HZ       LYS  75  -3.216  -8.055   8.932
  549   3HZ   LYS  75          3HZ       LYS  75  -3.487  -9.147   7.749
  550    H    MET  76           H        MET  76  -8.849  -4.148   6.547
  551    HA   MET  76           HA       MET  76  -9.331  -5.210   9.018
  552   1HB   MET  76          1HB       MET  76 -10.742  -3.330   7.123
  553   2HB   MET  76          2HB       MET  76 -11.685  -3.911   8.481
  554   1HG   MET  76          1HG       MET  76  -9.199  -3.216   9.629
  555   2HG   MET  76          2HG       MET  76  -9.485  -1.955   8.446
  556   1HE   MET  76          1HE       MET  76  -9.817  -0.728  11.653
  557   2HE   MET  76          2HE       MET  76 -10.760  -1.989  12.483
  558   3HE   MET  76          3HE       MET  76  -9.310  -2.431  11.550
  559    H    LYS  77           H        LYS  77 -10.998  -5.822   5.881
  560    HA   LYS  77           HA       LYS  77 -13.118  -7.305   6.920
  561   1HB   LYS  77          1HB       LYS  77 -12.289  -6.400   4.427
  562   2HB   LYS  77          2HB       LYS  77 -12.197  -8.143   4.269
  563   1HG   LYS  77          1HG       LYS  77 -14.558  -8.238   5.305
  564   2HG   LYS  77          2HG       LYS  77 -14.620  -6.497   5.116
  565   1HD   LYS  77          1HD       LYS  77 -13.764  -8.008   2.683
  566   2HD   LYS  77          2HD       LYS  77 -15.419  -8.285   3.186
  567   1HE   LYS  77          1HE       LYS  77 -15.926  -6.363   2.072
  568   2HE   LYS  77          2HE       LYS  77 -15.201  -5.518   3.425
  569   1HZ   LYS  77          1HZ       LYS  77 -13.636  -6.461   1.130
  570   2HZ   LYS  77          2HZ       LYS  77 -14.287  -4.965   1.208
  571   3HZ   LYS  77          3HZ       LYS  77 -13.159  -5.423   2.297
  572    H    ASP  78           H        ASP  78  -9.989  -8.437   5.451
  573    HA   ASP  78           HA       ASP  78 -10.378 -11.084   5.904
  574   1HB   ASP  78          1HB       ASP  78  -8.384  -9.610   4.831
  575   2HB   ASP  78          2HB       ASP  78  -7.636  -9.924   6.384
  576    H    THR  79           H        THR  79  -8.425  -8.758   7.937
  577    HA   THR  79           HA       THR  79  -8.072 -10.528  10.083
  578    HB   THR  79           HB       THR  79  -6.724  -8.445   9.518
  579    HG1  THR  79           HG1      THR  79  -6.376  -9.059  11.640
  580   1HG2  THR  79          1HG2      THR  79  -9.338  -7.195   9.924
  581   2HG2  THR  79          2HG2      THR  79  -8.170  -6.579  11.117
  582   3HG2  THR  79          3HG2      THR  79  -7.820  -6.443   9.377
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1 -17.020   1.668  -1.334
    2    HA   ALA   1           HA       ALA   1 -16.956  -0.281   0.131
    3   1HB   ALA   1          1HB       ALA   1 -14.761   0.159  -0.236
    4   2HB   ALA   1          2HB       ALA   1 -14.961   1.901   0.070
    5   3HB   ALA   1          3HB       ALA   1 -14.773   0.774   1.435
    6    H    ASP   2           H        ASP   2 -19.134   0.280   1.297
    7    HA   ASP   2           HA       ASP   2 -20.238   0.388   3.158
    8   1HB   ASP   2          1HB       ASP   2 -17.460  -0.140   4.239
    9   2HB   ASP   2          2HB       ASP   2 -18.753   0.209   5.369
   10    H    GLN   3           H        GLN   3 -18.680   2.813   1.925
   11    HA   GLN   3           HA       GLN   3 -18.508   4.951   2.260
   12   1HB   GLN   3          1HB       GLN   3 -20.330   4.383   4.633
   13   2HB   GLN   3          2HB       GLN   3 -19.863   6.006   4.166
   14   1HG   GLN   3          1HG       GLN   3 -20.877   5.729   1.948
   15   2HG   GLN   3          2HG       GLN   3 -21.188   4.031   2.251
   16   1HE2  GLN   3          1HE2      GLN   3 -23.156   5.816   1.496
   17   2HE2  GLN   3          2HE2      GLN   3 -24.303   6.027   2.778
   18    H    LEU   4           H        LEU   4 -16.401   3.281   3.197
   19    HA   LEU   4           HA       LEU   4 -15.568   4.644   5.656
   20   1HB   LEU   4          1HB       LEU   4 -15.415   2.448   6.187
   21   2HB   LEU   4          2HB       LEU   4 -15.144   1.935   4.534
   22    HG   LEU   4           HG       LEU   4 -13.229   1.584   6.133
   23   1HD1  LEU   4          1HD1      LEU   4 -12.283   3.376   3.927
   24   2HD1  LEU   4          2HD1      LEU   4 -11.658   1.801   4.471
   25   3HD1  LEU   4          3HD1      LEU   4 -13.164   1.883   3.525
   26   1HD2  LEU   4          1HD2      LEU   4 -13.690   4.273   6.773
   27   2HD2  LEU   4          2HD2      LEU   4 -12.362   3.232   7.341
   28   3HD2  LEU   4          3HD2      LEU   4 -12.139   4.252   5.900
   29    H    THR   5           H        THR   5 -14.510   3.650   2.343
   30    HA   THR   5           HA       THR   5 -12.011   4.673   2.259
   31    HB   THR   5           HB       THR   5 -13.392   3.485   0.442
   32    HG1  THR   5           HG1      THR   5 -11.256   4.770   0.291
   33   1HG2  THR   5          1HG2      THR   5 -15.326   4.778   0.012
   34   2HG2  THR   5          2HG2      THR   5 -14.463   6.317   0.249
   35   3HG2  THR   5          3HG2      THR   5 -14.218   5.379  -1.244
   36    H    GLU   6           H        GLU   6 -15.029   6.498   2.539
   37    HA   GLU   6           HA       GLU   6 -14.175   8.924   1.639
   38   1HB   GLU   6          1HB       GLU   6 -16.508   8.337   2.339
   39   2HB   GLU   6          2HB       GLU   6 -16.006   8.377   4.018
   40   1HG   GLU   6          1HG       GLU   6 -15.601  10.731   3.972
   41   2HG   GLU   6          2HG       GLU   6 -15.529  10.780   2.222
   42    H    GLU   7           H        GLU   7 -14.131   7.746   5.087
   43    HA   GLU   7           HA       GLU   7 -12.608   9.936   5.937
   44   1HB   GLU   7          1HB       GLU   7 -12.314   8.510   8.034
   45   2HB   GLU   7          2HB       GLU   7 -13.971   8.824   7.559
   46   1HG   GLU   7          1HG       GLU   7 -14.308   6.622   6.759
   47   2HG   GLU   7          2HG       GLU   7 -12.595   6.335   6.522
   48    H    GLN   8           H        GLN   8 -11.838   6.647   4.761
   49    HA   GLN   8           HA       GLN   8  -9.214   6.570   5.622
   50   1HB   GLN   8          1HB       GLN   8 -10.620   4.663   4.681
   51   2HB   GLN   8          2HB       GLN   8 -10.325   5.309   3.079
   52   1HG   GLN   8          1HG       GLN   8  -8.706   3.505   3.643
   53   2HG   GLN   8          2HG       GLN   8  -7.891   5.030   3.358
   54   1HE2  GLN   8          1HE2      GLN   8  -7.097   6.246   5.100
   55   2HE2  GLN   8          2HE2      GLN   8  -6.744   5.537   6.640
   56    H    ILE   9           H        ILE   9 -10.511   7.398   2.319
   57    HA   ILE   9           HA       ILE   9  -8.214   8.093   1.093
   58    HB   ILE   9           HB       ILE   9 -10.976   9.274   0.924
   59   1HG1  ILE   9          1HG1      ILE   9 -10.517   6.861   0.289
   60   2HG1  ILE   9          2HG1      ILE   9 -11.282   7.860  -0.931
   61   1HG2  ILE   9          1HG2      ILE   9 -10.251  10.962  -0.314
   62   2HG2  ILE   9          2HG2      ILE   9  -8.567  10.423  -0.108
   63   3HG2  ILE   9          3HG2      ILE   9  -9.540   9.805  -1.464
   64   1HD1  ILE   9          1HD1      ILE   9  -9.171   6.323  -1.520
   65   2HD1  ILE   9          2HD1      ILE   9  -9.395   7.911  -2.292
   66   3HD1  ILE   9          3HD1      ILE   9  -8.273   7.738  -0.921
   67    H    ALA  10           H        ALA  10 -10.051   9.997   3.518
   68    HA   ALA  10           HA       ALA  10  -8.799  12.417   3.259
   69   1HB   ALA  10          1HB       ALA  10 -10.619  11.239   4.969
   70   2HB   ALA  10          2HB       ALA  10  -9.232  11.538   6.044
   71   3HB   ALA  10          3HB       ALA  10  -9.967  12.886   5.143
   72    H    GLU  11           H        GLU  11  -7.819   9.684   5.455
   73    HA   GLU  11           HA       GLU  11  -5.403  10.962   6.102
   74   1HB   GLU  11          1HB       GLU  11  -6.563   8.205   6.551
   75   2HB   GLU  11          2HB       GLU  11  -4.879   8.502   6.935
   76   1HG   GLU  11          1HG       GLU  11  -5.377   9.918   8.704
   77   2HG   GLU  11          2HG       GLU  11  -6.823  10.549   7.940
   78    H    PHE  12           H        PHE  12  -6.332   8.293   3.848
   79    HA   PHE  12           HA       PHE  12  -3.835   7.513   3.048
   80   1HB   PHE  12          1HB       PHE  12  -6.642   7.460   2.156
   81   2HB   PHE  12          2HB       PHE  12  -5.592   7.631   0.763
   82    HD1  PHE  12           HD1      PHE  12  -5.636   5.619   3.919
   83    HD2  PHE  12           HD2      PHE  12  -5.021   5.668  -0.280
   84    HE1  PHE  12           HE1      PHE  12  -5.183   3.150   3.956
   85    HE2  PHE  12           HE2      PHE  12  -4.568   3.200  -0.243
   86    HZ   PHE  12           HZ       PHE  12  -4.655   1.970   1.875
   87    H    LYS  13           H        LYS  13  -5.647  10.465   2.239
   88    HA   LYS  13           HA       LYS  13  -4.263  11.159  -0.077
   89   1HB   LYS  13          1HB       LYS  13  -6.421  12.130   0.974
   90   2HB   LYS  13          2HB       LYS  13  -5.349  13.151   1.911
   91   1HG   LYS  13          1HG       LYS  13  -5.445  14.553   0.106
   92   2HG   LYS  13          2HG       LYS  13  -4.262  13.468  -0.598
   93   1HD   LYS  13          1HD       LYS  13  -5.948  13.608  -2.262
   94   2HD   LYS  13          2HD       LYS  13  -6.282  12.082  -1.467
   95   1HE   LYS  13          1HE       LYS  13  -8.181  12.917  -0.346
   96   2HE   LYS  13          2HE       LYS  13  -7.621  14.576  -0.405
   97   1HZ   LYS  13          1HZ       LYS  13  -8.209  14.748  -2.618
   98   2HZ   LYS  13          2HZ       LYS  13  -8.283  13.134  -2.861
   99   3HZ   LYS  13          3HZ       LYS  13  -9.442  13.883  -1.987
  100    H    GLU  14           H        GLU  14  -3.743  12.318   3.333
  101    HA   GLU  14           HA       GLU  14  -1.308  13.525   2.628
  102   1HB   GLU  14          1HB       GLU  14  -2.970  13.942   4.652
  103   2HB   GLU  14          2HB       GLU  14  -1.995  12.734   5.464
  104   1HG   GLU  14          1HG       GLU  14  -0.899  14.745   6.037
  105   2HG   GLU  14          2HG       GLU  14   0.064  14.156   4.696
  106    H    ALA  15           H        ALA  15  -2.273  10.333   3.917
  107    HA   ALA  15           HA       ALA  15   0.255   9.494   4.760
  108   1HB   ALA  15          1HB       ALA  15  -1.853   7.665   3.591
  109   2HB   ALA  15          2HB       ALA  15  -0.756   7.379   4.963
  110   3HB   ALA  15          3HB       ALA  15  -2.124   8.503   5.138
  111    H    PHE  16           H        PHE  16  -1.439   9.348   1.577
  112    HA   PHE  16           HA       PHE  16   0.049   7.719   0.121
  113   1HB   PHE  16          1HB       PHE  16  -1.789   9.297  -0.641
  114   2HB   PHE  16          2HB       PHE  16  -0.675  10.643  -0.517
  115    HD1  PHE  16           HD1      PHE  16  -0.835   7.298  -2.182
  116    HD2  PHE  16           HD2      PHE  16   0.282  11.382  -2.473
  117    HE1  PHE  16           HE1      PHE  16  -0.133   6.937  -4.565
  118    HE2  PHE  16           HE2      PHE  16   0.984  11.020  -4.856
  119    HZ   PHE  16           HZ       PHE  16   0.768   8.802  -5.873
  120    H    SER  17           H        SER  17   1.046  11.090   1.011
  121    HA   SER  17           HA       SER  17   3.283  11.336  -0.409
  122   1HB   SER  17          1HB       SER  17   2.258  12.927   1.336
  123   2HB   SER  17          2HB       SER  17   3.168  12.048   2.549
  124    HG   SER  17           HG       SER  17   4.812  13.314   2.047
  125    H    LEU  18           H        LEU  18   2.998   9.666   2.806
  126    HA   LEU  18           HA       LEU  18   5.715   8.854   2.804
  127   1HB   LEU  18          1HB       LEU  18   3.364   7.840   4.408
  128   2HB   LEU  18          2HB       LEU  18   5.053   7.513   4.740
  129    HG   LEU  18           HG       LEU  18   4.009  10.341   4.663
  130   1HD1  LEU  18          1HD1      LEU  18   2.645   8.862   6.227
  131   2HD1  LEU  18          2HD1      LEU  18   4.132   8.693   7.190
  132   3HD1  LEU  18          3HD1      LEU  18   3.413  10.302   6.938
  133   1HD2  LEU  18          1HD2      LEU  18   5.943  10.924   5.816
  134   2HD2  LEU  18          2HD2      LEU  18   6.241   9.258   6.367
  135   3HD2  LEU  18          3HD2      LEU  18   6.509   9.693   4.662
  136    H    PHE  19           H        PHE  19   2.613   6.992   2.405
  137    HA   PHE  19           HA       PHE  19   3.525   4.570   1.836
  138   1HB   PHE  19          1HB       PHE  19   1.479   6.239   0.253
  139   2HB   PHE  19          2HB       PHE  19   1.545   4.489   0.203
  140    HD1  PHE  19           HD1      PHE  19  -0.943   5.730   0.906
  141    HD2  PHE  19           HD2      PHE  19   2.363   4.825   3.407
  142    HE1  PHE  19           HE1      PHE  19  -2.476   5.614   2.890
  143    HE2  PHE  19           HE2      PHE  19   0.830   4.709   5.391
  144    HZ   PHE  19           HZ       PHE  19  -1.571   5.106   5.109
  145    H    ASP  20           H        ASP  20   3.673   7.401  -0.378
  146    HA   ASP  20           HA       ASP  20   4.991   5.696  -2.319
  147   1HB   ASP  20          1HB       ASP  20   3.066   7.267  -2.959
  148   2HB   ASP  20          2HB       ASP  20   4.132   8.611  -2.602
  149    H    LYS  21           H        LYS  21   7.202   5.596  -1.785
  150    HA   LYS  21           HA       LYS  21   8.511   7.766  -0.496
  151   1HB   LYS  21          1HB       LYS  21   9.853   5.411  -1.827
  152   2HB   LYS  21          2HB       LYS  21  10.413   6.360  -0.464
  153   1HG   LYS  21          1HG       LYS  21   8.032   4.452  -0.507
  154   2HG   LYS  21          2HG       LYS  21   9.534   4.236   0.369
  155   1HD   LYS  21          1HD       LYS  21   9.035   6.058   1.879
  156   2HD   LYS  21          2HD       LYS  21   7.720   6.630   0.872
  157   1HE   LYS  21          1HE       LYS  21   6.875   5.382   2.858
  158   2HE   LYS  21          2HE       LYS  21   6.396   4.608   1.361
  159   1HZ   LYS  21          1HZ       LYS  21   8.890   3.636   2.186
  160   2HZ   LYS  21          2HZ       LYS  21   7.821   3.492   3.412
  161   3HZ   LYS  21          3HZ       LYS  21   7.496   2.816   1.962
  162    H    ASP  22           H        ASP  22   8.967   6.220  -3.759
  163    HA   ASP  22           HA       ASP  22  10.720   7.931  -4.790
  164   1HB   ASP  22          1HB       ASP  22   8.450   6.335  -5.890
  165   2HB   ASP  22          2HB       ASP  22   9.030   7.604  -6.951
  166    H    GLY  23           H        GLY  23   7.100   8.233  -5.198
  167   1HA   GLY  23          1HA       GLY  23   5.907  10.213  -4.781
  168   2HA   GLY  23          2HA       GLY  23   7.363  11.156  -5.024
  169    H    ASP  24           H        ASP  24   6.144   8.467  -7.102
  170    HA   ASP  24           HA       ASP  24   5.995  10.431  -9.245
  171   1HB   ASP  24          1HB       ASP  24   6.009   8.186 -10.650
  172   2HB   ASP  24          2HB       ASP  24   7.507   8.826 -10.006
  173    H    GLY  25           H        GLY  25   4.393   7.711  -7.527
  174   1HA   GLY  25          1HA       GLY  25   1.921   8.153  -7.346
  175   2HA   GLY  25          2HA       GLY  25   1.933   8.177  -9.098
  176    H    THR  26           H        THR  26   3.888   6.044  -6.937
  177    HA   THR  26           HA       THR  26   2.164   3.798  -7.302
  178    HB   THR  26           HB       THR  26   4.138   2.581  -8.597
  179    HG1  THR  26           HG1      THR  26   5.631   4.064  -9.293
  180   1HG2  THR  26          1HG2      THR  26   1.764   3.488  -9.505
  181   2HG2  THR  26          2HG2      THR  26   2.809   4.670 -10.328
  182   3HG2  THR  26          3HG2      THR  26   3.024   2.930 -10.632
  183    H    ILE  27           H        ILE  27   2.294   2.695  -5.460
  184    HA   ILE  27           HA       ILE  27   4.553   3.180  -3.742
  185    HB   ILE  27           HB       ILE  27   1.891   1.838  -3.492
  186   1HG1  ILE  27          1HG1      ILE  27   1.970   3.414  -1.408
  187   2HG1  ILE  27          2HG1      ILE  27   3.301   4.186  -2.246
  188   1HG2  ILE  27          1HG2      ILE  27   2.715   0.283  -2.126
  189   2HG2  ILE  27          2HG2      ILE  27   4.317   1.057  -2.071
  190   3HG2  ILE  27          3HG2      ILE  27   3.025   1.607  -0.977
  191   1HD1  ILE  27          1HD1      ILE  27   1.467   5.404  -3.054
  192   2HD1  ILE  27          2HD1      ILE  27   1.656   4.171  -4.324
  193   3HD1  ILE  27          3HD1      ILE  27   0.402   3.977  -3.076
  194    H    THR  28           H        THR  28   6.224   2.249  -5.138
  195    HA   THR  28           HA       THR  28   6.275  -0.259  -6.186
  196    HB   THR  28           HB       THR  28   8.516   1.272  -4.761
  197    HG1  THR  28           HG1      THR  28   7.543   1.110  -7.527
  198   1HG2  THR  28          1HG2      THR  28   9.863  -0.427  -5.490
  199   2HG2  THR  28          2HG2      THR  28   8.484  -1.243  -6.265
  200   3HG2  THR  28          3HG2      THR  28   9.394   0.004  -7.152
  201    H    THR  29           H        THR  29   6.714  -2.354  -5.546
  202    HA   THR  29           HA       THR  29   5.730  -3.227  -3.167
  203    HB   THR  29           HB       THR  29   6.891  -5.331  -3.742
  204    HG1  THR  29           HG1      THR  29   8.375  -3.410  -5.391
  205   1HG2  THR  29          1HG2      THR  29   5.605  -5.566  -5.613
  206   2HG2  THR  29          2HG2      THR  29   5.396  -3.799  -5.672
  207   3HG2  THR  29          3HG2      THR  29   6.754  -4.564  -6.532
  208    H    LYS  30           H        LYS  30   9.204  -2.491  -3.880
  209    HA   LYS  30           HA       LYS  30  10.125  -3.157  -1.344
  210   1HB   LYS  30          1HB       LYS  30  12.150  -2.199  -2.007
  211   2HB   LYS  30          2HB       LYS  30  11.427  -2.743  -3.507
  212   1HG   LYS  30          1HG       LYS  30  10.399  -0.289  -3.576
  213   2HG   LYS  30          2HG       LYS  30  11.689   0.083  -2.451
  214   1HD   LYS  30          1HD       LYS  30  12.383  -1.453  -4.957
  215   2HD   LYS  30          2HD       LYS  30  12.056   0.262  -5.102
  216   1HE   LYS  30          1HE       LYS  30  13.740   0.196  -2.889
  217   2HE   LYS  30          2HE       LYS  30  14.376  -1.118  -3.860
  218   1HZ   LYS  30          1HZ       LYS  30  13.905   0.898  -5.623
  219   2HZ   LYS  30          2HZ       LYS  30  14.536   1.655  -4.320
  220   3HZ   LYS  30          3HZ       LYS  30  15.361   0.443  -5.040
  221    H    GLU  31           H        GLU  31   8.609  -0.189  -2.645
  222    HA   GLU  31           HA       GLU  31   9.245   1.377  -0.410
  223   1HB   GLU  31          1HB       GLU  31   7.222   1.622  -2.658
  224   2HB   GLU  31          2HB       GLU  31   7.268   2.799  -1.361
  225   1HG   GLU  31          1HG       GLU  31   9.536   3.444  -1.886
  226   2HG   GLU  31          2HG       GLU  31   9.772   2.054  -2.926
  227    H    LEU  32           H        LEU  32   6.736  -1.000  -1.141
  228    HA   LEU  32           HA       LEU  32   4.891  -0.130   0.821
  229   1HB   LEU  32          1HB       LEU  32   4.008  -1.394  -0.913
  230   2HB   LEU  32          2HB       LEU  32   5.278  -2.598  -0.832
  231    HG   LEU  32           HG       LEU  32   4.293  -3.185   1.496
  232   1HD1  LEU  32          1HD1      LEU  32   2.789  -1.048   1.308
  233   2HD1  LEU  32          2HD1      LEU  32   1.717  -2.128   0.385
  234   3HD1  LEU  32          3HD1      LEU  32   2.160  -2.534   2.060
  235   1HD2  LEU  32          1HD2      LEU  32   4.192  -4.776  -0.249
  236   2HD2  LEU  32          2HD2      LEU  32   2.535  -4.638   0.387
  237   3HD2  LEU  32          3HD2      LEU  32   2.971  -3.838  -1.142
  238    H    GLY  33           H        GLY  33   7.570  -2.550   0.743
  239   1HA   GLY  33          1HA       GLY  33   7.134  -3.554   3.344
  240   2HA   GLY  33          2HA       GLY  33   8.603  -3.671   2.397
  241    H    THR  34           H        THR  34   8.695  -0.621   2.077
  242    HA   THR  34           HA       THR  34  10.332  -0.122   4.331
  243    HB   THR  34           HB       THR  34   9.165   1.712   2.170
  244    HG1  THR  34           HG1      THR  34  11.610   0.145   2.594
  245   1HG2  THR  34          1HG2      THR  34  10.684   3.347   2.823
  246   2HG2  THR  34          2HG2      THR  34  10.441   2.600   4.421
  247   3HG2  THR  34          3HG2      THR  34  11.853   2.152   3.435
  248    H    VAL  35           H        VAL  35   7.173   1.362   3.326
  249    HA   VAL  35           HA       VAL  35   6.765   2.927   5.493
  250    HB   VAL  35           HB       VAL  35   5.002   1.400   3.636
  251   1HG1  VAL  35          1HG1      VAL  35   3.852   1.209   5.813
  252   2HG1  VAL  35          2HG1      VAL  35   3.931   2.977   6.001
  253   3HG1  VAL  35          3HG1      VAL  35   2.971   2.265   4.682
  254   1HG2  VAL  35          1HG2      VAL  35   4.192   4.008   3.621
  255   2HG2  VAL  35          2HG2      VAL  35   5.905   4.180   4.073
  256   3HG2  VAL  35          3HG2      VAL  35   5.461   3.336   2.570
  257    H    MET  36           H        MET  36   5.769  -0.556   5.184
  258    HA   MET  36           HA       MET  36   4.624  -0.957   7.534
  259   1HB   MET  36          1HB       MET  36   6.751  -2.710   6.182
  260   2HB   MET  36          2HB       MET  36   5.665  -3.296   7.426
  261   1HG   MET  36          1HG       MET  36   4.529  -1.947   4.956
  262   2HG   MET  36          2HG       MET  36   5.030  -3.624   4.876
  263   1HE   MET  36          1HE       MET  36   3.112  -5.618   5.659
  264   2HE   MET  36          2HE       MET  36   1.606  -4.764   5.243
  265   3HE   MET  36          3HE       MET  36   3.073  -4.508   4.268
  266    H    ARG  37           H        ARG  37   8.206  -0.899   6.981
  267    HA   ARG  37           HA       ARG  37   9.022  -1.621   9.441
  268   1HB   ARG  37          1HB       ARG  37  10.265   0.631   7.785
  269   2HB   ARG  37          2HB       ARG  37  11.099  -0.369   8.958
  270   1HG   ARG  37          1HG       ARG  37  10.103  -2.339   7.365
  271   2HG   ARG  37          2HG       ARG  37  10.191  -1.053   6.178
  272   1HD   ARG  37          1HD       ARG  37  12.570  -0.764   6.515
  273   2HD   ARG  37          2HD       ARG  37  12.556  -1.727   7.979
  274    HE   ARG  37           HE       ARG  37  12.482  -3.709   6.682
  275   1HH1  ARG  37          2HH2      ARG  37  12.110  -0.869   4.638
  276   2HH1  ARG  37          1HH2      ARG  37  12.345  -1.742   3.161
  277   1HH2  ARG  37          2HH1      ARG  37  12.793  -4.862   4.733
  278   2HH2  ARG  37          1HH1      ARG  37  12.736  -4.029   3.216
  279    H    SER  38           H        SER  38   8.042   1.668   8.285
  280    HA   SER  38           HA       SER  38   8.729   3.155  10.414
  281   1HB   SER  38          1HB       SER  38   7.342   3.624   8.143
  282   2HB   SER  38          2HB       SER  38   5.994   3.626   9.262
  283    HG   SER  38           HG       SER  38   8.382   5.249   9.525
  284    H    LEU  39           H        LEU  39   6.039   0.827  10.107
  285    HA   LEU  39           HA       LEU  39   4.685   1.662  12.451
  286   1HB   LEU  39          1HB       LEU  39   4.595  -0.911  10.870
  287   2HB   LEU  39          2HB       LEU  39   3.510  -0.513  12.187
  288    HG   LEU  39           HG       LEU  39   3.659   1.500  10.017
  289   1HD1  LEU  39          1HD1      LEU  39   3.424  -1.228   9.300
  290   2HD1  LEU  39          2HD1      LEU  39   1.803  -0.506   9.152
  291   3HD1  LEU  39          3HD1      LEU  39   3.179   0.211   8.280
  292   1HD2  LEU  39          1HD2      LEU  39   1.262   0.197  11.324
  293   2HD2  LEU  39          2HD2      LEU  39   2.135   1.584  12.019
  294   3HD2  LEU  39          3HD2      LEU  39   1.331   1.740  10.439
  295    H    GLY  40           H        GLY  40   7.161  -0.847  11.685
  296   1HA   GLY  40          1HA       GLY  40   8.856  -1.138  13.421
  297   2HA   GLY  40          2HA       GLY  40   7.561  -1.158  14.602
  298    H    GLN  41           H        GLN  41   7.876  -2.745  11.347
  299    HA   GLN  41           HA       GLN  41   7.538  -5.277  12.756
  300   1HB   GLN  41          1HB       GLN  41   5.959  -4.084  10.583
  301   2HB   GLN  41          2HB       GLN  41   6.558  -5.673  10.149
  302   1HG   GLN  41          1HG       GLN  41   5.341  -5.298  12.890
  303   2HG   GLN  41          2HG       GLN  41   4.268  -5.380  11.507
  304   1HE2  GLN  41          1HE2      GLN  41   5.775  -7.124  13.844
  305   2HE2  GLN  41          2HE2      GLN  41   5.769  -8.709  13.144
  306    H    ASN  42           H        ASN  42   8.950  -3.468   9.999
  307    HA   ASN  42           HA       ASN  42  10.643  -3.849   8.699
  308   1HB   ASN  42          1HB       ASN  42  11.502  -4.598  11.285
  309   2HB   ASN  42          2HB       ASN  42  12.032  -5.930  10.277
  310   1HD2  ASN  42          1HD2      ASN  42  11.995  -2.395  10.516
  311   2HD2  ASN  42          2HD2      ASN  42  13.512  -2.097   9.735
  312    HA   PRO  43           HA       PRO  43   8.939  -8.002   7.564
  313   1HB   PRO  43          1HB       PRO  43   7.274  -7.265   5.526
  314   2HB   PRO  43          2HB       PRO  43   6.723  -7.519   7.170
  315   1HG   PRO  43          1HG       PRO  43   7.142  -4.972   5.728
  316   2HG   PRO  43          2HG       PRO  43   6.210  -5.270   7.183
  317   1HD   PRO  43          1HD       PRO  43   8.808  -4.064   7.026
  318   2HD   PRO  43          2HD       PRO  43   7.926  -4.467   8.485
  319    H    THR  44           H        THR  44   8.848  -9.086   5.250
  320    HA   THR  44           HA       THR  44  11.303  -8.092   3.968
  321    HB   THR  44           HB       THR  44  11.182 -10.590   3.081
  322    HG1  THR  44           HG1      THR  44   8.920 -10.642   4.080
  323   1HG2  THR  44          1HG2      THR  44  12.166 -11.464   5.221
  324   2HG2  THR  44          2HG2      THR  44  12.882  -9.900   4.764
  325   3HG2  THR  44          3HG2      THR  44  11.650  -9.974   6.047
  326    H    GLU  45           H        GLU  45  11.436  -7.846   1.723
  327    HA   GLU  45           HA       GLU  45   9.060  -6.958   0.569
  328   1HB   GLU  45          1HB       GLU  45  10.431  -6.619  -1.458
  329   2HB   GLU  45          2HB       GLU  45  11.272  -6.047  -0.030
  330   1HG   GLU  45          1HG       GLU  45  12.065  -8.727  -0.177
  331   2HG   GLU  45          2HG       GLU  45  11.976  -8.259  -1.864
  332    H    ALA  46           H        ALA  46  10.486 -10.111   0.879
  333    HA   ALA  46           HA       ALA  46   9.472 -11.255  -1.500
  334   1HB   ALA  46          1HB       ALA  46  10.637 -12.206   1.101
  335   2HB   ALA  46          2HB       ALA  46   9.781 -13.381   0.074
  336   3HB   ALA  46          3HB       ALA  46  11.187 -12.497  -0.567
  337    H    GLU  47           H        GLU  47   8.365 -11.409   1.964
  338    HA   GLU  47           HA       GLU  47   6.057 -12.789   1.431
  339   1HB   GLU  47          1HB       GLU  47   6.802 -10.833   3.636
  340   2HB   GLU  47          2HB       GLU  47   5.261 -11.667   3.632
  341   1HG   GLU  47          1HG       GLU  47   7.930 -13.131   3.422
  342   2HG   GLU  47          2HG       GLU  47   7.148 -12.802   4.955
  343    H    LEU  48           H        LEU  48   6.757  -9.265   1.338
  344    HA   LEU  48           HA       LEU  48   4.049  -8.513   0.967
  345   1HB   LEU  48          1HB       LEU  48   6.717  -7.174   0.779
  346   2HB   LEU  48          2HB       LEU  48   5.313  -6.378   0.095
  347    HG   LEU  48           HG       LEU  48   5.857  -5.641   2.396
  348   1HD1  LEU  48          1HD1      LEU  48   3.689  -5.102   2.008
  349   2HD1  LEU  48          2HD1      LEU  48   3.222  -6.773   1.609
  350   3HD1  LEU  48          3HD1      LEU  48   3.428  -6.288   3.310
  351   1HD2  LEU  48          1HD2      LEU  48   6.734  -7.564   3.441
  352   2HD2  LEU  48          2HD2      LEU  48   5.198  -7.223   4.272
  353   3HD2  LEU  48          3HD2      LEU  48   5.286  -8.530   3.067
  354    H    GLN  49           H        GLN  49   6.644  -9.703  -1.108
  355    HA   GLN  49           HA       GLN  49   5.865  -8.674  -3.508
  356   1HB   GLN  49          1HB       GLN  49   7.916 -10.101  -2.954
  357   2HB   GLN  49          2HB       GLN  49   6.886 -11.512  -3.082
  358   1HG   GLN  49          1HG       GLN  49   6.348 -10.982  -5.422
  359   2HG   GLN  49          2HG       GLN  49   7.196  -9.452  -5.315
  360   1HE2  GLN  49          1HE2      GLN  49   8.093 -10.704  -7.282
  361   2HE2  GLN  49          2HE2      GLN  49   9.566 -11.577  -7.025
  362    H    ASP  50           H        ASP  50   4.505 -11.398  -1.621
  363    HA   ASP  50           HA       ASP  50   2.903 -12.355  -3.710
  364   1HB   ASP  50          1HB       ASP  50   3.591 -13.560  -1.547
  365   2HB   ASP  50          2HB       ASP  50   2.396 -12.590  -0.709
  366    H    MET  51           H        MET  51   2.589  -9.905  -1.113
  367    HA   MET  51           HA       MET  51  -0.196  -9.613  -1.349
  368   1HB   MET  51          1HB       MET  51   2.099  -8.311   0.044
  369   2HB   MET  51          2HB       MET  51   0.800  -7.196  -0.332
  370   1HG   MET  51          1HG       MET  51  -0.556  -9.453   0.654
  371   2HG   MET  51          2HG       MET  51   0.876  -9.374   1.661
  372   1HE   MET  51          1HE       MET  51  -0.361  -7.180   4.288
  373   2HE   MET  51          2HE       MET  51   0.081  -8.824   3.770
  374   3HE   MET  51          3HE       MET  51   1.237  -7.486   3.565
  375    H    ILE  52           H        ILE  52   2.577  -7.510  -2.424
  376    HA   ILE  52           HA       ILE  52   1.146  -5.600  -3.732
  377    HB   ILE  52           HB       ILE  52   3.180  -5.320  -5.135
  378   1HG1  ILE  52          1HG1      ILE  52   5.137  -6.850  -4.162
  379   2HG1  ILE  52          2HG1      ILE  52   3.821  -7.988  -3.946
  380   1HG2  ILE  52          1HG2      ILE  52   3.405  -5.583  -2.136
  381   2HG2  ILE  52          2HG2      ILE  52   4.716  -4.923  -3.142
  382   3HG2  ILE  52          3HG2      ILE  52   3.128  -4.120  -3.112
  383   1HD1  ILE  52          1HD1      ILE  52   3.776  -8.449  -6.162
  384   2HD1  ILE  52          2HD1      ILE  52   3.599  -6.724  -6.561
  385   3HD1  ILE  52          3HD1      ILE  52   5.221  -7.426  -6.348
  386    H    ASN  53           H        ASN  53   2.249  -8.803  -5.009
  387    HA   ASN  53           HA       ASN  53   1.270  -8.407  -7.557
  388   1HB   ASN  53          1HB       ASN  53   2.534 -10.491  -6.093
  389   2HB   ASN  53          2HB       ASN  53   1.032 -11.199  -6.652
  390   1HD2  ASN  53          1HD2      ASN  53   4.114 -11.040  -7.377
  391   2HD2  ASN  53          2HD2      ASN  53   4.110 -11.044  -9.109
  392    H    GLU  54           H        GLU  54  -0.212  -9.483  -4.481
  393    HA   GLU  54           HA       GLU  54  -2.548 -10.517  -5.640
  394   1HB   GLU  54          1HB       GLU  54  -1.873 -11.225  -3.418
  395   2HB   GLU  54          2HB       GLU  54  -1.882  -9.578  -2.821
  396   1HG   GLU  54          1HG       GLU  54  -3.987 -10.129  -2.087
  397   2HG   GLU  54          2HG       GLU  54  -4.451  -9.720  -3.727
  398    H    VAL  55           H        VAL  55  -1.936  -7.454  -3.763
  399    HA   VAL  55           HA       VAL  55  -4.428  -6.340  -4.229
  400    HB   VAL  55           HB       VAL  55  -3.416  -4.270  -3.537
  401   1HG1  VAL  55          1HG1      VAL  55  -2.446  -4.953  -1.414
  402   2HG1  VAL  55          2HG1      VAL  55  -3.793  -6.037  -1.838
  403   3HG1  VAL  55          3HG1      VAL  55  -2.112  -6.579  -2.057
  404   1HG2  VAL  55          1HG2      VAL  55  -0.804  -5.637  -4.219
  405   2HG2  VAL  55          2HG2      VAL  55  -1.444  -4.093  -4.830
  406   3HG2  VAL  55          3HG2      VAL  55  -0.890  -4.221  -3.144
  407    H    ASP  56           H        ASP  56  -1.364  -6.176  -6.129
  408    HA   ASP  56           HA       ASP  56  -2.059  -4.289  -7.921
  409   1HB   ASP  56          1HB       ASP  56   0.143  -5.299  -7.951
  410   2HB   ASP  56          2HB       ASP  56  -0.517  -6.892  -8.266
  411    H    ALA  57           H        ALA  57  -3.997  -4.176  -9.076
  412    HA   ALA  57           HA       ALA  57  -5.200  -6.688  -9.962
  413   1HB   ALA  57          1HB       ALA  57  -6.373  -3.883  -9.981
  414   2HB   ALA  57          2HB       ALA  57  -7.242  -5.429 -10.137
  415   3HB   ALA  57          3HB       ALA  57  -6.486  -4.985  -8.588
  416    H    ASP  58           H        ASP  58  -4.515  -3.332 -11.193
  417    HA   ASP  58           HA       ASP  58  -5.116  -3.573 -13.735
  418   1HB   ASP  58          1HB       ASP  58  -2.809  -2.280 -14.133
  419   2HB   ASP  58          2HB       ASP  58  -4.133  -1.526 -13.267
  420    H    GLY  59           H        GLY  59  -2.335  -5.087 -12.048
  421   1HA   GLY  59          1HA       GLY  59  -1.360  -7.090 -12.714
  422   2HA   GLY  59          2HA       GLY  59  -1.900  -6.829 -14.360
  423    H    ASP  60           H        ASP  60   0.624  -6.216 -11.982
  424    HA   ASP  60           HA       ASP  60   2.447  -5.647 -14.041
  425   1HB   ASP  60          1HB       ASP  60   2.503  -3.392 -12.105
  426   2HB   ASP  60          2HB       ASP  60   2.801  -3.381 -13.832
  427    H    GLY  61           H        GLY  61   1.728  -4.982 -10.526
  428   1HA   GLY  61          1HA       GLY  61   2.763  -6.566  -8.947
  429   2HA   GLY  61          2HA       GLY  61   4.258  -6.355  -9.835
  430    H    THR  62           H        THR  62   1.880  -3.748  -9.138
  431    HA   THR  62           HA       THR  62   3.657  -2.683  -7.077
  432    HB   THR  62           HB       THR  62   2.721  -1.046  -9.487
  433    HG1  THR  62           HG1      THR  62   4.275  -2.570 -10.222
  434   1HG2  THR  62          1HG2      THR  62   3.354   0.509  -7.811
  435   2HG2  THR  62          2HG2      THR  62   4.556  -0.599  -7.108
  436   3HG2  THR  62          3HG2      THR  62   4.899   0.223  -8.649
  437    H    ILE  63           H        ILE  63   2.615  -0.728  -5.982
  438    HA   ILE  63           HA       ILE  63  -0.234  -1.359  -5.712
  439    HB   ILE  63           HB       ILE  63   1.751  -0.122  -3.805
  440   1HG1  ILE  63          1HG1      ILE  63   0.472  -2.826  -4.065
  441   2HG1  ILE  63          2HG1      ILE  63   2.148  -2.410  -3.764
  442   1HG2  ILE  63          1HG2      ILE  63  -0.359   1.007  -3.505
  443   2HG2  ILE  63          2HG2      ILE  63  -1.232  -0.544  -3.481
  444   3HG2  ILE  63          3HG2      ILE  63  -0.107  -0.135  -2.163
  445   1HD1  ILE  63          1HD1      ILE  63  -0.172  -2.084  -1.807
  446   2HD1  ILE  63          2HD1      ILE  63   1.156  -3.264  -1.697
  447   3HD1  ILE  63          3HD1      ILE  63   1.490  -1.528  -1.495
  448    H    ASP  64           H        ASP  64  -1.616   0.620  -5.059
  449    HA   ASP  64           HA       ASP  64  -0.628   3.088  -6.104
  450   1HB   ASP  64          1HB       ASP  64  -3.047   1.713  -7.369
  451   2HB   ASP  64          2HB       ASP  64  -2.514   3.343  -7.730
  452    H    PHE  65           H        PHE  65  -2.963   4.573  -6.229
  453    HA   PHE  65           HA       PHE  65  -3.749   4.727  -3.543
  454   1HB   PHE  65          1HB       PHE  65  -3.815   6.267  -5.882
  455   2HB   PHE  65          2HB       PHE  65  -5.508   5.851  -5.705
  456    HD1  PHE  65           HD1      PHE  65  -3.083   6.478  -2.966
  457    HD2  PHE  65           HD2      PHE  65  -6.437   7.926  -5.126
  458    HE1  PHE  65           HE1      PHE  65  -3.363   8.327  -1.292
  459    HE2  PHE  65           HE2      PHE  65  -6.717   9.775  -3.452
  460    HZ   PHE  65           HZ       PHE  65  -5.177   9.954  -1.555
  461    HA   PRO  66           HA       PRO  66  -7.755   2.752  -5.131
  462   1HB   PRO  66          1HB       PRO  66  -7.814   1.584  -7.602
  463   2HB   PRO  66          2HB       PRO  66  -8.368   3.219  -7.301
  464   1HG   PRO  66          1HG       PRO  66  -5.871   2.319  -8.601
  465   2HG   PRO  66          2HG       PRO  66  -6.637   3.893  -8.667
  466   1HD   PRO  66          1HD       PRO  66  -4.335   3.169  -7.117
  467   2HD   PRO  66          2HD       PRO  66  -5.171   4.709  -7.095
  468    H    GLU  67           H        GLU  67  -4.795   1.210  -6.099
  469    HA   GLU  67           HA       GLU  67  -5.782  -1.383  -5.679
  470   1HB   GLU  67          1HB       GLU  67  -3.049  -0.143  -6.021
  471   2HB   GLU  67          2HB       GLU  67  -3.160  -1.808  -5.485
  472   1HG   GLU  67          1HG       GLU  67  -4.651  -2.298  -7.478
  473   2HG   GLU  67          2HG       GLU  67  -4.392  -0.656  -8.032
  474    H    PHE  68           H        PHE  68  -3.450   0.641  -3.742
  475    HA   PHE  68           HA       PHE  68  -3.343  -1.049  -1.565
  476   1HB   PHE  68          1HB       PHE  68  -2.118   1.227  -2.351
  477   2HB   PHE  68          2HB       PHE  68  -3.339   1.996  -1.356
  478    HD1  PHE  68           HD1      PHE  68  -2.074   2.847   0.418
  479    HD2  PHE  68           HD2      PHE  68  -1.596  -1.219  -0.699
  480    HE1  PHE  68           HE1      PHE  68  -0.662   2.453   2.455
  481    HE2  PHE  68           HE2      PHE  68  -0.183  -1.612   1.338
  482    HZ   PHE  68           HZ       PHE  68   0.267   0.229   2.891
  483    H    LEU  69           H        LEU  69  -5.747   1.437  -2.476
  484    HA   LEU  69           HA       LEU  69  -6.969   1.851  -0.061
  485   1HB   LEU  69          1HB       LEU  69  -7.920   3.218  -1.525
  486   2HB   LEU  69          2HB       LEU  69  -7.602   2.155  -2.882
  487    HG   LEU  69           HG       LEU  69  -9.611   0.773  -2.064
  488   1HD1  LEU  69          1HD1      LEU  69 -10.350   1.381  -0.035
  489   2HD1  LEU  69          2HD1      LEU  69  -9.661   3.018  -0.155
  490   3HD1  LEU  69          3HD1      LEU  69 -11.223   2.651  -0.926
  491   1HD2  LEU  69          1HD2      LEU  69 -11.153   2.824  -2.961
  492   2HD2  LEU  69          2HD2      LEU  69  -9.544   3.336  -3.524
  493   3HD2  LEU  69          3HD2      LEU  69 -10.191   1.748  -4.003
  494    H    THR  70           H        THR  70  -7.793  -0.691  -2.527
  495    HA   THR  70           HA       THR  70  -9.699  -1.961  -0.910
  496    HB   THR  70           HB       THR  70  -8.013  -2.723  -3.331
  497    HG1  THR  70           HG1      THR  70 -10.858  -2.361  -2.696
  498   1HG2  THR  70          1HG2      THR  70  -8.728  -4.897  -3.273
  499   2HG2  THR  70          2HG2      THR  70  -9.161  -4.625  -1.568
  500   3HG2  THR  70          3HG2      THR  70 -10.380  -4.392  -2.843
  501    H    MET  71           H        MET  71  -6.182  -2.647  -1.415
  502    HA   MET  71           HA       MET  71  -6.031  -4.893   0.088
  503   1HB   MET  71          1HB       MET  71  -4.147  -3.945  -1.223
  504   2HB   MET  71          2HB       MET  71  -4.068  -2.548  -0.167
  505   1HG   MET  71          1HG       MET  71  -3.702  -4.357   1.749
  506   2HG   MET  71          2HG       MET  71  -3.254  -5.409   0.421
  507   1HE   MET  71          1HE       MET  71  -0.440  -4.793   2.294
  508   2HE   MET  71          2HE       MET  71  -0.641  -3.079   2.729
  509   3HE   MET  71          3HE       MET  71  -1.991  -4.218   2.951
  510    H    MET  72           H        MET  72  -5.384  -1.510   1.279
  511    HA   MET  72           HA       MET  72  -5.077  -2.222   3.912
  512   1HB   MET  72          1HB       MET  72  -4.785   0.065   2.515
  513   2HB   MET  72          2HB       MET  72  -6.393   0.401   3.124
  514   1HG   MET  72          1HG       MET  72  -4.402  -0.585   5.142
  515   2HG   MET  72          2HG       MET  72  -4.116   1.020   4.500
  516   1HE   MET  72          1HE       MET  72  -5.828   1.737   7.929
  517   2HE   MET  72          2HE       MET  72  -4.997   0.186   7.660
  518   3HE   MET  72          3HE       MET  72  -4.313   1.689   6.997
  519    H    ALA  73           H        ALA  73  -8.024  -0.769   2.335
  520    HA   ALA  73           HA       ALA  73  -9.729  -0.800   4.419
  521   1HB   ALA  73          1HB       ALA  73 -10.665  -1.813   1.740
  522   2HB   ALA  73          2HB       ALA  73 -11.417  -0.618   2.824
  523   3HB   ALA  73          3HB       ALA  73  -9.982  -0.175   1.868
  524    H    ARG  74           H        ARG  74  -9.268  -3.573   2.107
  525    HA   ARG  74           HA       ARG  74 -10.876  -5.292   3.528
  526   1HB   ARG  74          1HB       ARG  74  -8.499  -5.844   1.684
  527   2HB   ARG  74          2HB       ARG  74  -9.574  -7.103   2.258
  528   1HG   ARG  74          1HG       ARG  74 -11.366  -5.192   1.301
  529   2HG   ARG  74          2HG       ARG  74 -10.030  -5.040   0.177
  530   1HD   ARG  74          1HD       ARG  74 -10.111  -7.659   0.035
  531   2HD   ARG  74          2HD       ARG  74 -11.686  -7.518   0.791
  532    HE   ARG  74           HE       ARG  74 -11.477  -5.701  -1.452
  533   1HH1  ARG  74          2HH2      ARG  74 -11.944  -9.097  -0.657
  534   2HH1  ARG  74          1HH2      ARG  74 -12.804  -9.452  -2.118
  535   1HH2  ARG  74          2HH1      ARG  74 -12.611  -6.169  -3.380
  536   2HH2  ARG  74          1HH1      ARG  74 -13.185  -7.776  -3.677
  537    H    LYS  75           H        LYS  75  -7.435  -4.393   3.865
  538    HA   LYS  75           HA       LYS  75  -6.396  -6.440   5.289
  539   1HB   LYS  75          1HB       LYS  75  -5.471  -4.074   4.557
  540   2HB   LYS  75          2HB       LYS  75  -5.870  -3.632   6.205
  541   1HG   LYS  75          1HG       LYS  75  -3.605  -4.401   6.298
  542   2HG   LYS  75          2HG       LYS  75  -4.559  -5.711   6.965
  543   1HD   LYS  75          1HD       LYS  75  -4.161  -5.814   4.005
  544   2HD   LYS  75          2HD       LYS  75  -2.705  -6.020   4.957
  545   1HE   LYS  75          1HE       LYS  75  -4.895  -7.581   6.111
  546   2HE   LYS  75          2HE       LYS  75  -4.694  -7.980   4.417
  547   1HZ   LYS  75          1HZ       LYS  75  -3.115  -9.292   5.273
  548   2HZ   LYS  75          2HZ       LYS  75  -2.186  -7.952   5.187
  549   3HZ   LYS  75          3HZ       LYS  75  -2.870  -8.382   6.606
  550    H    MET  76           H        MET  76  -8.193  -3.620   6.721
  551    HA   MET  76           HA       MET  76  -8.184  -4.606   9.284
  552   1HB   MET  76          1HB       MET  76  -9.698  -2.588   7.679
  553   2HB   MET  76          2HB       MET  76 -10.568  -3.163   9.087
  554   1HG   MET  76          1HG       MET  76  -8.008  -2.736  10.115
  555   2HG   MET  76          2HG       MET  76  -8.154  -1.444   8.940
  556   1HE   MET  76          1HE       MET  76  -9.059   0.649   9.413
  557   2HE   MET  76          2HE       MET  76 -10.639   0.044   8.861
  558   3HE   MET  76          3HE       MET  76 -10.526   1.002  10.357
  559    H    LYS  77           H        LYS  77 -10.453  -5.184   6.555
  560    HA   LYS  77           HA       LYS  77 -12.441  -6.466   8.034
  561   1HB   LYS  77          1HB       LYS  77 -12.303  -5.581   5.537
  562   2HB   LYS  77          2HB       LYS  77 -11.858  -7.241   5.199
  563   1HG   LYS  77          1HG       LYS  77 -14.072  -7.329   7.028
  564   2HG   LYS  77          2HG       LYS  77 -14.481  -6.158   5.789
  565   1HD   LYS  77          1HD       LYS  77 -13.242  -8.696   4.800
  566   2HD   LYS  77          2HD       LYS  77 -14.837  -8.863   5.508
  567   1HE   LYS  77          1HE       LYS  77 -15.529  -6.857   3.988
  568   2HE   LYS  77          2HE       LYS  77 -14.022  -7.133   3.139
  569   1HZ   LYS  77          1HZ       LYS  77 -14.943  -8.828   2.110
  570   2HZ   LYS  77          2HZ       LYS  77 -15.358  -9.563   3.508
  571   3HZ   LYS  77          3HZ       LYS  77 -16.378  -8.493   2.814
  572    H    ASP  78           H        ASP  78  -9.779  -7.909   6.016
  573    HA   ASP  78           HA       ASP  78 -10.231 -10.488   6.651
  574   1HB   ASP  78          1HB       ASP  78  -7.816  -8.870   5.919
  575   2HB   ASP  78          2HB       ASP  78  -7.492 -10.462   6.576
  576    H    THR  79           H        THR  79  -7.803  -8.270   8.246
  577    HA   THR  79           HA       THR  79  -7.208 -10.014  10.357
  578    HB   THR  79           HB       THR  79  -5.935  -7.942   9.426
  579    HG1  THR  79           HG1      THR  79  -6.537  -8.195  12.289
  580   1HG2  THR  79          1HG2      THR  79  -6.468  -5.802  10.241
  581   2HG2  THR  79          2HG2      THR  79  -8.104  -6.459  10.000
  582   3HG2  THR  79          3HG2      THR  79  -7.379  -6.451  11.626
  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1 -17.929   5.734  -0.382
    2    HA   ALA   1           HA       ALA   1 -16.122   6.689   0.532
    3   1HB   ALA   1          1HB       ALA   1 -16.833   9.463   0.788
    4   2HB   ALA   1          2HB       ALA   1 -15.623   8.719  -0.284
    5   3HB   ALA   1          3HB       ALA   1 -17.305   8.904  -0.834
    6    H    ASP   2           H        ASP   2 -19.369   7.910   1.485
    7    HA   ASP   2           HA       ASP   2 -18.670   8.541   4.091
    8   1HB   ASP   2          1HB       ASP   2 -21.122   8.189   2.493
    9   2HB   ASP   2          2HB       ASP   2 -21.358   7.686   4.155
   10    H    GLN   3           H        GLN   3 -18.808   5.542   2.443
   11    HA   GLN   3           HA       GLN   3 -19.854   3.963   4.539
   12   1HB   GLN   3          1HB       GLN   3 -19.142   3.606   1.809
   13   2HB   GLN   3          2HB       GLN   3 -18.137   2.485   2.706
   14   1HG   GLN   3          1HG       GLN   3 -20.945   2.552   3.657
   15   2HG   GLN   3          2HG       GLN   3 -20.795   2.053   1.984
   16   1HE2  GLN   3          1HE2      GLN   3 -21.458   0.638   4.542
   17   2HE2  GLN   3          2HE2      GLN   3 -20.420  -0.747   4.604
   18    H    LEU   4           H        LEU   4 -16.699   5.296   3.690
   19    HA   LEU   4           HA       LEU   4 -15.514   5.050   6.061
   20   1HB   LEU   4          1HB       LEU   4 -15.544   2.842   6.469
   21   2HB   LEU   4          2HB       LEU   4 -15.649   2.404   4.775
   22    HG   LEU   4           HG       LEU   4 -13.582   1.602   5.834
   23   1HD1  LEU   4          1HD1      LEU   4 -12.372   1.851   3.950
   24   2HD1  LEU   4          2HD1      LEU   4 -13.853   2.636   3.353
   25   3HD1  LEU   4          3HD1      LEU   4 -12.505   3.626   3.962
   26   1HD2  LEU   4          1HD2      LEU   4 -12.564   2.875   7.344
   27   2HD2  LEU   4          2HD2      LEU   4 -11.960   3.876   6.002
   28   3HD2  LEU   4          3HD2      LEU   4 -13.471   4.318   6.831
   29    H    THR   5           H        THR   5 -14.993   4.245   2.580
   30    HA   THR   5           HA       THR   5 -12.380   4.928   2.290
   31    HB   THR   5           HB       THR   5 -14.868   5.150   0.574
   32    HG1  THR   5           HG1      THR   5 -13.899   3.255  -0.110
   33   1HG2  THR   5          1HG2      THR   5 -13.285   7.042  -0.119
   34   2HG2  THR   5          2HG2      THR   5 -12.032   5.804  -0.373
   35   3HG2  THR   5          3HG2      THR   5 -13.513   5.785  -1.360
   36    H    GLU   6           H        GLU   6 -15.050   7.056   3.130
   37    HA   GLU   6           HA       GLU   6 -13.948   9.430   2.257
   38   1HB   GLU   6          1HB       GLU   6 -16.265   9.308   2.967
   39   2HB   GLU   6          2HB       GLU   6 -15.812   8.793   4.579
   40   1HG   GLU   6          1HG       GLU   6 -15.014  10.934   5.192
   41   2HG   GLU   6          2HG       GLU   6 -14.750  11.427   3.531
   42    H    GLU   7           H        GLU   7 -13.833   7.919   5.568
   43    HA   GLU   7           HA       GLU   7 -12.001   9.835   6.495
   44   1HB   GLU   7          1HB       GLU   7 -11.794   8.248   8.459
   45   2HB   GLU   7          2HB       GLU   7 -13.436   8.734   8.088
   46   1HG   GLU   7          1HG       GLU   7 -14.030   6.629   7.254
   47   2HG   GLU   7          2HG       GLU   7 -12.397   6.244   6.748
   48    H    GLN   8           H        GLN   8 -11.743   6.753   4.783
   49    HA   GLN   8           HA       GLN   8  -9.087   6.228   5.516
   50   1HB   GLN   8          1HB       GLN   8 -10.723   4.540   4.607
   51   2HB   GLN   8          2HB       GLN   8 -10.607   5.308   3.036
   52   1HG   GLN   8          1HG       GLN   8  -9.086   3.395   3.084
   53   2HG   GLN   8          2HG       GLN   8  -8.134   4.865   3.017
   54   1HE2  GLN   8          1HE2      GLN   8  -8.606   1.956   4.559
   55   2HE2  GLN   8          2HE2      GLN   8  -7.689   2.207   6.006
   56    H    ILE   9           H        ILE   9 -10.536   7.469   2.412
   57    HA   ILE   9           HA       ILE   9  -8.128   8.058   1.188
   58    HB   ILE   9           HB       ILE   9  -9.433   9.441  -0.304
   59   1HG1  ILE   9          1HG1      ILE   9 -12.072   9.189   0.712
   60   2HG1  ILE   9          2HG1      ILE   9 -11.093   9.830   2.016
   61   1HG2  ILE   9          1HG2      ILE   9 -11.405   7.686  -0.613
   62   2HG2  ILE   9          2HG2      ILE   9  -9.711   7.286  -0.987
   63   3HG2  ILE   9          3HG2      ILE   9 -10.429   6.764   0.556
   64   1HD1  ILE   9          1HD1      ILE   9 -12.108  11.558   0.407
   65   2HD1  ILE   9          2HD1      ILE   9 -10.358  11.701   0.696
   66   3HD1  ILE   9          3HD1      ILE   9 -10.954  10.960  -0.809
   67    H    ALA  10           H        ALA  10  -9.694   9.551   3.907
   68    HA   ALA  10           HA       ALA  10  -8.722  12.168   3.581
   69   1HB   ALA  10          1HB       ALA  10 -10.274  10.661   5.436
   70   2HB   ALA  10          2HB       ALA  10  -8.943  11.407   6.354
   71   3HB   ALA  10          3HB       ALA  10 -10.035  12.424   5.384
   72    H    GLU  11           H        GLU  11  -7.530   9.444   5.683
   73    HA   GLU  11           HA       GLU  11  -5.144  10.821   6.236
   74   1HB   GLU  11          1HB       GLU  11  -6.422   8.281   6.975
   75   2HB   GLU  11          2HB       GLU  11  -4.690   8.100   6.780
   76   1HG   GLU  11          1HG       GLU  11  -4.294  10.002   8.333
   77   2HG   GLU  11          2HG       GLU  11  -6.021  10.252   8.493
   78    H    PHE  12           H        PHE  12  -6.082   8.156   3.988
   79    HA   PHE  12           HA       PHE  12  -3.630   7.398   3.089
   80   1HB   PHE  12          1HB       PHE  12  -6.455   7.574   2.122
   81   2HB   PHE  12          2HB       PHE  12  -5.294   7.513   0.810
   82    HD1  PHE  12           HD1      PHE  12  -5.898   5.768   4.064
   83    HD2  PHE  12           HD2      PHE  12  -4.800   5.428  -0.021
   84    HE1  PHE  12           HE1      PHE  12  -5.750   3.274   4.310
   85    HE2  PHE  12           HE2      PHE  12  -4.652   2.935   0.225
   86    HZ   PHE  12           HZ       PHE  12  -5.129   1.888   2.388
   87    H    LYS  13           H        LYS  13  -5.393  10.417   2.440
   88    HA   LYS  13           HA       LYS  13  -4.036  11.181   0.129
   89   1HB   LYS  13          1HB       LYS  13  -6.141  12.147   1.446
   90   2HB   LYS  13          2HB       LYS  13  -4.934  13.223   2.122
   91   1HG   LYS  13          1HG       LYS  13  -5.521  14.426   0.214
   92   2HG   LYS  13          2HG       LYS  13  -4.173  13.500  -0.416
   93   1HD   LYS  13          1HD       LYS  13  -5.599  12.759  -2.024
   94   2HD   LYS  13          2HD       LYS  13  -6.319  11.752  -0.784
   95   1HE   LYS  13          1HE       LYS  13  -8.121  13.224  -0.430
   96   2HE   LYS  13          2HE       LYS  13  -7.228  14.626  -0.984
   97   1HZ   LYS  13          1HZ       LYS  13  -8.750  14.044  -2.651
   98   2HZ   LYS  13          2HZ       LYS  13  -7.289  13.590  -3.221
   99   3HZ   LYS  13          3HZ       LYS  13  -8.323  12.467  -2.641
  100    H    GLU  14           H        GLU  14  -3.433  12.173   3.577
  101    HA   GLU  14           HA       GLU  14  -0.990  13.370   2.883
  102   1HB   GLU  14          1HB       GLU  14  -2.658  13.590   5.006
  103   2HB   GLU  14          2HB       GLU  14  -1.494  12.482   5.705
  104   1HG   GLU  14          1HG       GLU  14  -0.422  14.881   4.227
  105   2HG   GLU  14          2HG       GLU  14  -1.151  15.155   5.797
  106    H    ALA  15           H        ALA  15  -1.999  10.122   3.935
  107    HA   ALA  15           HA       ALA  15   0.523   9.194   4.735
  108   1HB   ALA  15          1HB       ALA  15  -1.667   7.515   3.481
  109   2HB   ALA  15          2HB       ALA  15  -0.516   7.064   4.761
  110   3HB   ALA  15          3HB       ALA  15  -1.833   8.208   5.112
  111    H    PHE  16           H        PHE  16  -1.203   9.241   1.563
  112    HA   PHE  16           HA       PHE  16   0.315   7.686   0.028
  113   1HB   PHE  16          1HB       PHE  16  -1.615   9.258  -0.595
  114   2HB   PHE  16          2HB       PHE  16  -0.490  10.601  -0.544
  115    HD1  PHE  16           HD1      PHE  16  -0.412   7.190  -2.082
  116    HD2  PHE  16           HD2      PHE  16   0.014  11.375  -2.646
  117    HE1  PHE  16           HE1      PHE  16   0.153   6.808  -4.498
  118    HE2  PHE  16           HE2      PHE  16   0.579  10.992  -5.061
  119    HZ   PHE  16           HZ       PHE  16   0.642   8.713  -5.958
  120    H    SER  17           H        SER  17   1.202  11.019   1.117
  121    HA   SER  17           HA       SER  17   3.429  11.363  -0.380
  122   1HB   SER  17          1HB       SER  17   2.435  13.067   1.134
  123   2HB   SER  17          2HB       SER  17   2.999  12.172   2.531
  124    HG   SER  17           HG       SER  17   5.207  12.447   1.201
  125    H    LEU  18           H        LEU  18   3.150   9.766   2.871
  126    HA   LEU  18           HA       LEU  18   5.900   9.082   2.954
  127   1HB   LEU  18          1HB       LEU  18   3.485   8.201   4.531
  128   2HB   LEU  18          2HB       LEU  18   5.101   7.600   4.847
  129    HG   LEU  18           HG       LEU  18   4.276  10.514   4.979
  130   1HD1  LEU  18          1HD1      LEU  18   4.067  10.352   7.276
  131   2HD1  LEU  18          2HD1      LEU  18   3.344   8.823   6.722
  132   3HD1  LEU  18          3HD1      LEU  18   5.004   8.841   7.365
  133   1HD2  LEU  18          1HD2      LEU  18   6.428  11.036   5.050
  134   2HD2  LEU  18          2HD2      LEU  18   6.683   9.916   6.410
  135   3HD2  LEU  18          3HD2      LEU  18   6.841   9.334   4.735
  136    H    PHE  19           H        PHE  19   2.895   7.082   2.496
  137    HA   PHE  19           HA       PHE  19   3.990   4.695   1.990
  138   1HB   PHE  19          1HB       PHE  19   1.737   6.268   0.628
  139   2HB   PHE  19          2HB       PHE  19   2.009   4.582   0.236
  140    HD1  PHE  19           HD1      PHE  19   2.701   3.531   2.951
  141    HD2  PHE  19           HD2      PHE  19  -0.339   6.213   1.699
  142    HE1  PHE  19           HE1      PHE  19   1.291   2.847   4.911
  143    HE2  PHE  19           HE2      PHE  19  -1.750   5.529   3.660
  144    HZ   PHE  19           HZ       PHE  19  -0.918   3.854   5.242
  145    H    ASP  20           H        ASP  20   3.683   7.411  -0.383
  146    HA   ASP  20           HA       ASP  20   5.010   5.823  -2.361
  147   1HB   ASP  20          1HB       ASP  20   3.147   7.767  -2.563
  148   2HB   ASP  20          2HB       ASP  20   4.566   8.791  -2.662
  149    H    LYS  21           H        LYS  21   7.225   5.564  -1.857
  150    HA   LYS  21           HA       LYS  21   8.688   7.717  -0.652
  151   1HB   LYS  21          1HB       LYS  21   9.816   5.139  -1.757
  152   2HB   LYS  21          2HB       LYS  21  10.485   6.170  -0.508
  153   1HG   LYS  21          1HG       LYS  21   7.801   4.739  -0.237
  154   2HG   LYS  21          2HG       LYS  21   9.313   4.063   0.336
  155   1HD   LYS  21          1HD       LYS  21   9.648   6.101   1.781
  156   2HD   LYS  21          2HD       LYS  21   8.099   6.717   1.241
  157   1HE   LYS  21          1HE       LYS  21   6.876   5.069   2.402
  158   2HE   LYS  21          2HE       LYS  21   8.206   3.928   2.402
  159   1HZ   LYS  21          1HZ       LYS  21   7.869   6.294   4.081
  160   2HZ   LYS  21          2HZ       LYS  21   8.134   4.749   4.539
  161   3HZ   LYS  21          3HZ       LYS  21   9.343   5.623   3.874
  162    H    ASP  22           H        ASP  22   8.797   5.941  -3.820
  163    HA   ASP  22           HA       ASP  22  10.764   7.333  -4.995
  164   1HB   ASP  22          1HB       ASP  22   8.283   5.958  -5.931
  165   2HB   ASP  22          2HB       ASP  22   8.982   7.072  -7.089
  166    H    GLY  23           H        GLY  23   7.211   8.127  -4.922
  167   1HA   GLY  23          1HA       GLY  23   6.241  10.196  -4.801
  168   2HA   GLY  23          2HA       GLY  23   7.801  10.963  -5.027
  169    H    ASP  24           H        ASP  24   6.404   8.379  -7.113
  170    HA   ASP  24           HA       ASP  24   6.427  10.346  -9.261
  171   1HB   ASP  24          1HB       ASP  24   6.336   8.051 -10.635
  172   2HB   ASP  24          2HB       ASP  24   7.854   8.697 -10.046
  173    H    GLY  25           H        GLY  25   4.551   8.112  -7.303
  174   1HA   GLY  25          1HA       GLY  25   2.159   8.524  -7.268
  175   2HA   GLY  25          2HA       GLY  25   2.186   8.578  -9.019
  176    H    THR  26           H        THR  26   4.171   6.260  -7.164
  177    HA   THR  26           HA       THR  26   2.242   4.139  -7.445
  178    HB   THR  26           HB       THR  26   3.977   2.822  -8.881
  179    HG1  THR  26           HG1      THR  26   4.719   5.652  -9.127
  180   1HG2  THR  26          1HG2      THR  26   1.805   3.988  -9.780
  181   2HG2  THR  26          2HG2      THR  26   2.900   5.284 -10.320
  182   3HG2  THR  26          3HG2      THR  26   3.094   3.633 -10.955
  183    H    ILE  27           H        ILE  27   2.423   2.798  -5.759
  184    HA   ILE  27           HA       ILE  27   4.808   3.100  -4.121
  185    HB   ILE  27           HB       ILE  27   2.014   2.129  -3.679
  186   1HG1  ILE  27          1HG1      ILE  27   2.211   3.680  -1.728
  187   2HG1  ILE  27          2HG1      ILE  27   3.822   4.111  -2.267
  188   1HG2  ILE  27          1HG2      ILE  27   3.553   0.371  -2.798
  189   2HG2  ILE  27          2HG2      ILE  27   4.282   1.604  -1.741
  190   3HG2  ILE  27          3HG2      ILE  27   2.565   1.172  -1.553
  191   1HD1  ILE  27          1HD1      ILE  27   1.606   4.273  -4.295
  192   2HD1  ILE  27          2HD1      ILE  27   1.663   5.516  -3.022
  193   3HD1  ILE  27          3HD1      ILE  27   3.052   5.294  -4.112
  194    H    THR  28           H        THR  28   6.488   1.834  -4.748
  195    HA   THR  28           HA       THR  28   5.975  -0.722  -5.983
  196    HB   THR  28           HB       THR  28   8.446   0.930  -5.275
  197    HG1  THR  28           HG1      THR  28   6.823   1.291  -7.136
  198   1HG2  THR  28          1HG2      THR  28   9.406  -0.871  -7.034
  199   2HG2  THR  28          2HG2      THR  28   9.478  -1.180  -5.282
  200   3HG2  THR  28          3HG2      THR  28   8.188  -1.915  -6.263
  201    H    THR  29           H        THR  29   6.766  -2.769  -5.215
  202    HA   THR  29           HA       THR  29   5.934  -3.517  -2.781
  203    HB   THR  29           HB       THR  29   7.355  -5.487  -3.117
  204    HG1  THR  29           HG1      THR  29   8.737  -3.570  -4.861
  205   1HG2  THR  29          1HG2      THR  29   7.192  -4.574  -5.979
  206   2HG2  THR  29          2HG2      THR  29   6.664  -6.112  -5.253
  207   3HG2  THR  29          3HG2      THR  29   5.656  -4.654  -5.082
  208    H    LYS  30           H        LYS  30   9.038  -1.897  -3.501
  209    HA   LYS  30           HA       LYS  30  10.087  -2.310  -0.903
  210   1HB   LYS  30          1HB       LYS  30  10.802  -0.545  -3.240
  211   2HB   LYS  30          2HB       LYS  30  11.619  -0.369  -1.700
  212   1HG   LYS  30          1HG       LYS  30  12.256  -2.777  -1.741
  213   2HG   LYS  30          2HG       LYS  30  11.400  -2.990  -3.256
  214   1HD   LYS  30          1HD       LYS  30  13.012  -1.862  -4.499
  215   2HD   LYS  30          2HD       LYS  30  13.442  -0.791  -3.180
  216   1HE   LYS  30          1HE       LYS  30  15.143  -2.152  -2.527
  217   2HE   LYS  30          2HE       LYS  30  14.083  -3.545  -2.458
  218   1HZ   LYS  30          1HZ       LYS  30  15.507  -4.096  -4.124
  219   2HZ   LYS  30          2HZ       LYS  30  14.304  -3.432  -5.006
  220   3HZ   LYS  30          3HZ       LYS  30  15.660  -2.575  -4.698
  221    H    GLU  31           H        GLU  31   8.504   0.511  -2.549
  222    HA   GLU  31           HA       GLU  31   8.612   2.258  -0.495
  223   1HB   GLU  31          1HB       GLU  31   6.324   1.834  -2.468
  224   2HB   GLU  31          2HB       GLU  31   6.536   3.274  -1.493
  225   1HG   GLU  31          1HG       GLU  31   8.812   3.605  -2.537
  226   2HG   GLU  31          2HG       GLU  31   8.521   2.212  -3.559
  227    H    LEU  32           H        LEU  32   6.550  -0.613  -0.857
  228    HA   LEU  32           HA       LEU  32   4.715   0.111   1.182
  229   1HB   LEU  32          1HB       LEU  32   4.292  -1.466  -0.702
  230   2HB   LEU  32          2HB       LEU  32   5.369  -2.617   0.064
  231    HG   LEU  32           HG       LEU  32   2.684  -1.638   1.037
  232   1HD1  LEU  32          1HD1      LEU  32   3.316  -4.508   1.056
  233   2HD1  LEU  32          2HD1      LEU  32   1.887  -3.643   0.440
  234   3HD1  LEU  32          3HD1      LEU  32   3.355  -3.760  -0.559
  235   1HD2  LEU  32          1HD2      LEU  32   3.923  -1.560   3.027
  236   2HD2  LEU  32          2HD2      LEU  32   3.139  -3.158   3.042
  237   3HD2  LEU  32          3HD2      LEU  32   4.860  -3.015   2.609
  238    H    GLY  33           H        GLY  33   7.450  -2.284   1.061
  239   1HA   GLY  33          1HA       GLY  33   7.401  -2.884   3.798
  240   2HA   GLY  33          2HA       GLY  33   8.740  -3.128   2.695
  241    H    THR  34           H        THR  34   8.554  -0.065   2.036
  242    HA   THR  34           HA       THR  34  10.561   0.716   3.880
  243    HB   THR  34           HB       THR  34   8.915   2.197   1.764
  244    HG1  THR  34           HG1      THR  34  10.623   1.453   0.508
  245   1HG2  THR  34          1HG2      THR  34  10.193   4.089   2.101
  246   2HG2  THR  34          2HG2      THR  34  10.397   3.447   3.749
  247   3HG2  THR  34          3HG2      THR  34  11.642   3.140   2.514
  248    H    VAL  35           H        VAL  35   7.049   1.451   3.556
  249    HA   VAL  35           HA       VAL  35   7.082   3.300   5.705
  250    HB   VAL  35           HB       VAL  35   4.985   1.853   4.115
  251   1HG1  VAL  35          1HG1      VAL  35   3.343   3.396   5.407
  252   2HG1  VAL  35          2HG1      VAL  35   3.867   1.872   6.164
  253   3HG1  VAL  35          3HG1      VAL  35   4.601   3.414   6.666
  254   1HG2  VAL  35          1HG2      VAL  35   6.176   4.573   4.221
  255   2HG2  VAL  35          2HG2      VAL  35   5.550   3.643   2.838
  256   3HG2  VAL  35          3HG2      VAL  35   4.423   4.491   3.924
  257    H    MET  36           H        MET  36   6.099  -0.173   5.354
  258    HA   MET  36           HA       MET  36   5.121  -0.665   7.775
  259   1HB   MET  36          1HB       MET  36   7.136  -2.337   6.175
  260   2HB   MET  36          2HB       MET  36   6.187  -2.986   7.498
  261   1HG   MET  36          1HG       MET  36   4.763  -1.562   5.234
  262   2HG   MET  36          2HG       MET  36   5.323  -3.204   4.986
  263   1HE   MET  36          1HE       MET  36   3.582  -5.385   7.333
  264   2HE   MET  36          2HE       MET  36   3.192  -5.200   5.606
  265   3HE   MET  36          3HE       MET  36   4.879  -5.060   6.157
  266    H    ARG  37           H        ARG  37   8.661  -1.055   6.998
  267    HA   ARG  37           HA       ARG  37   9.397  -1.468   9.614
  268   1HB   ARG  37          1HB       ARG  37  11.718  -0.863   8.793
  269   2HB   ARG  37          2HB       ARG  37  10.901  -2.034   7.777
  270   1HG   ARG  37          1HG       ARG  37  11.563  -0.592   6.103
  271   2HG   ARG  37          2HG       ARG  37  10.062   0.211   6.520
  272   1HD   ARG  37          1HD       ARG  37  11.227   1.810   7.959
  273   2HD   ARG  37          2HD       ARG  37  12.730   0.920   7.825
  274    HE   ARG  37           HE       ARG  37  12.003   1.533   5.182
  275   1HH1  ARG  37          2HH2      ARG  37  12.719   3.345   8.113
  276   2HH1  ARG  37          1HH2      ARG  37  13.320   4.729   7.263
  277   1HH2  ARG  37          2HH1      ARG  37  12.796   3.360   4.060
  278   2HH2  ARG  37          1HH1      ARG  37  13.364   4.738   4.942
  279    H    SER  38           H        SER  38   8.643   1.474   7.810
  280    HA   SER  38           HA       SER  38  10.087   3.310   9.247
  281   1HB   SER  38          1HB       SER  38   8.458   3.477   7.126
  282   2HB   SER  38          2HB       SER  38   7.291   3.974   8.335
  283    HG   SER  38           HG       SER  38   9.355   5.411   7.232
  284    H    LEU  39           H        LEU  39   7.371   1.326  10.177
  285    HA   LEU  39           HA       LEU  39   6.607   3.102  12.339
  286   1HB   LEU  39          1HB       LEU  39   5.551   0.423  11.428
  287   2HB   LEU  39          2HB       LEU  39   4.917   1.330  12.786
  288    HG   LEU  39           HG       LEU  39   4.960   2.315   9.920
  289   1HD1  LEU  39          1HD1      LEU  39   2.734   1.069  11.550
  290   2HD1  LEU  39          2HD1      LEU  39   2.490   1.948  10.021
  291   3HD1  LEU  39          3HD1      LEU  39   3.459   0.455  10.045
  292   1HD2  LEU  39          1HD2      LEU  39   3.157   3.888  11.034
  293   2HD2  LEU  39          2HD2      LEU  39   4.089   3.533  12.508
  294   3HD2  LEU  39          3HD2      LEU  39   4.893   4.273  11.103
  295    H    GLY  40           H        GLY  40   7.557  -0.400  12.060
  296   1HA   GLY  40          1HA       GLY  40   9.598  -0.168  14.022
  297   2HA   GLY  40          2HA       GLY  40   8.127  -0.796  14.739
  298    H    GLN  41           H        GLN  41   7.051  -2.263  12.523
  299    HA   GLN  41           HA       GLN  41   8.219  -4.670  12.860
  300   1HB   GLN  41          1HB       GLN  41   7.127  -5.129  10.479
  301   2HB   GLN  41          2HB       GLN  41   6.122  -4.806  11.878
  302   1HG   GLN  41          1HG       GLN  41   6.971  -2.311  10.572
  303   2HG   GLN  41          2HG       GLN  41   6.137  -3.367   9.449
  304   1HE2  GLN  41          1HE2      GLN  41   4.007  -3.933   9.774
  305   2HE2  GLN  41          2HE2      GLN  41   2.959  -3.115  10.884
  306    H    ASN  42           H        ASN  42   9.071  -6.032  10.754
  307    HA   ASN  42           HA       ASN  42  10.926  -4.462   9.238
  308   1HB   ASN  42          1HB       ASN  42  11.730  -6.199  11.535
  309   2HB   ASN  42          2HB       ASN  42  12.632  -6.495  10.061
  310   1HD2  ASN  42          1HD2      ASN  42  11.462  -3.885  12.164
  311   2HD2  ASN  42          2HD2      ASN  42  12.817  -2.822  11.980
  312    HA   PRO  43           HA       PRO  43   9.161  -8.317   7.404
  313   1HB   PRO  43          1HB       PRO  43   7.580  -7.198   5.476
  314   2HB   PRO  43          2HB       PRO  43   6.974  -7.693   7.044
  315   1HG   PRO  43          1HG       PRO  43   7.521  -4.965   6.045
  316   2HG   PRO  43          2HG       PRO  43   6.538  -5.457   7.410
  317   1HD   PRO  43          1HD       PRO  43   9.179  -4.342   7.510
  318   2HD   PRO  43          2HD       PRO  43   8.243  -4.942   8.864
  319    H    THR  44           H        THR  44   9.066  -8.971   4.914
  320    HA   THR  44           HA       THR  44  11.504  -7.755   3.788
  321    HB   THR  44           HB       THR  44  11.576 -10.227   2.744
  322    HG1  THR  44           HG1      THR  44  10.228 -10.466   5.336
  323   1HG2  THR  44          1HG2      THR  44  12.692 -11.057   4.923
  324   2HG2  THR  44          2HG2      THR  44  13.380  -9.571   4.227
  325   3HG2  THR  44          3HG2      THR  44  12.279  -9.473   5.622
  326    H    GLU  45           H        GLU  45  11.516  -7.148   1.659
  327    HA   GLU  45           HA       GLU  45   9.151  -6.432   0.533
  328   1HB   GLU  45          1HB       GLU  45  10.440  -6.032  -1.527
  329   2HB   GLU  45          2HB       GLU  45  11.356  -5.521  -0.124
  330   1HG   GLU  45          1HG       GLU  45  12.832  -7.379  -0.242
  331   2HG   GLU  45          2HG       GLU  45  11.715  -8.334  -1.196
  332    H    ALA  46           H        ALA  46  10.604  -9.589   0.706
  333    HA   ALA  46           HA       ALA  46   9.457 -10.671  -1.648
  334   1HB   ALA  46          1HB       ALA  46  11.410 -11.667  -0.577
  335   2HB   ALA  46          2HB       ALA  46  10.489 -11.938   0.922
  336   3HB   ALA  46          3HB       ALA  46  10.067 -12.836  -0.556
  337    H    GLU  47           H        GLU  47   8.613 -11.041   1.875
  338    HA   GLU  47           HA       GLU  47   6.323 -12.436   1.517
  339   1HB   GLU  47          1HB       GLU  47   7.316 -10.530   3.621
  340   2HB   GLU  47          2HB       GLU  47   5.639 -11.029   3.712
  341   1HG   GLU  47          1HG       GLU  47   7.794 -13.121   3.313
  342   2HG   GLU  47          2HG       GLU  47   7.518 -12.465   4.914
  343    H    LEU  48           H        LEU  48   6.811  -8.861   1.415
  344    HA   LEU  48           HA       LEU  48   4.052  -8.296   1.094
  345   1HB   LEU  48          1HB       LEU  48   6.591  -6.721   0.735
  346   2HB   LEU  48          2HB       LEU  48   5.023  -6.045   0.340
  347    HG   LEU  48           HG       LEU  48   5.863  -5.408   2.586
  348   1HD1  LEU  48          1HD1      LEU  48   3.559  -6.759   3.572
  349   2HD1  LEU  48          2HD1      LEU  48   3.721  -5.069   3.037
  350   3HD1  LEU  48          3HD1      LEU  48   3.264  -6.332   1.869
  351   1HD2  LEU  48          1HD2      LEU  48   7.012  -7.541   3.100
  352   2HD2  LEU  48          2HD2      LEU  48   5.930  -6.995   4.405
  353   3HD2  LEU  48          3HD2      LEU  48   5.424  -8.314   3.322
  354    H    GLN  49           H        GLN  49   6.684  -9.286  -1.033
  355    HA   GLN  49           HA       GLN  49   5.838  -8.274  -3.407
  356   1HB   GLN  49          1HB       GLN  49   7.934  -9.675  -2.843
  357   2HB   GLN  49          2HB       GLN  49   6.934 -11.093  -3.084
  358   1HG   GLN  49          1HG       GLN  49   6.384 -10.312  -5.399
  359   2HG   GLN  49          2HG       GLN  49   7.385  -8.894  -5.158
  360   1HE2  GLN  49          1HE2      GLN  49   8.843  -9.331  -6.731
  361   2HE2  GLN  49          2HE2      GLN  49   9.984 -10.634  -6.686
  362    H    ASP  50           H        ASP  50   4.604 -11.087  -1.559
  363    HA   ASP  50           HA       ASP  50   3.019 -12.072  -3.641
  364   1HB   ASP  50          1HB       ASP  50   3.705 -13.374  -1.613
  365   2HB   ASP  50          2HB       ASP  50   2.701 -12.342  -0.614
  366    H    MET  51           H        MET  51   2.657  -9.608  -1.080
  367    HA   MET  51           HA       MET  51  -0.141  -9.427  -1.241
  368   1HB   MET  51          1HB       MET  51   2.026  -7.484  -0.269
  369   2HB   MET  51          2HB       MET  51   0.314  -7.208  -0.022
  370   1HG   MET  51          1HG       MET  51   1.115  -9.916   0.828
  371   2HG   MET  51          2HG       MET  51   2.025  -8.677   1.667
  372   1HE   MET  51          1HE       MET  51  -0.374 -10.336   3.681
  373   2HE   MET  51          2HE       MET  51   1.239  -9.589   3.601
  374   3HE   MET  51          3HE       MET  51  -0.071  -8.783   4.496
  375    H    ILE  52           H        ILE  52   2.504  -7.224  -2.435
  376    HA   ILE  52           HA       ILE  52   0.934  -5.434  -3.765
  377    HB   ILE  52           HB       ILE  52   2.948  -5.088  -5.213
  378   1HG1  ILE  52          1HG1      ILE  52   5.002  -6.400  -4.141
  379   2HG1  ILE  52          2HG1      ILE  52   3.775  -7.616  -3.845
  380   1HG2  ILE  52          1HG2      ILE  52   2.497  -4.088  -2.894
  381   2HG2  ILE  52          2HG2      ILE  52   3.710  -5.247  -2.300
  382   3HG2  ILE  52          3HG2      ILE  52   4.163  -4.030  -3.517
  383   1HD1  ILE  52          1HD1      ILE  52   3.281  -6.760  -6.492
  384   2HD1  ILE  52          2HD1      ILE  52   5.053  -6.860  -6.363
  385   3HD1  ILE  52          3HD1      ILE  52   4.052  -8.285  -5.993
  386    H    ASN  53           H        ASN  53   2.192  -8.615  -4.931
  387    HA   ASN  53           HA       ASN  53   1.204  -8.347  -7.498
  388   1HB   ASN  53          1HB       ASN  53   2.622 -10.284  -6.018
  389   2HB   ASN  53          2HB       ASN  53   1.137 -11.113  -6.439
  390   1HD2  ASN  53          1HD2      ASN  53   3.444 -12.033  -7.435
  391   2HD2  ASN  53          2HD2      ASN  53   3.590 -11.729  -9.134
  392    H    GLU  54           H        GLU  54  -0.213  -9.416  -4.387
  393    HA   GLU  54           HA       GLU  54  -2.497 -10.594  -5.522
  394   1HB   GLU  54          1HB       GLU  54  -1.762 -11.228  -3.289
  395   2HB   GLU  54          2HB       GLU  54  -1.881  -9.576  -2.717
  396   1HG   GLU  54          1HG       GLU  54  -3.926 -10.344  -1.953
  397   2HG   GLU  54          2HG       GLU  54  -4.427  -9.839  -3.554
  398    H    VAL  55           H        VAL  55  -2.028  -7.478  -3.692
  399    HA   VAL  55           HA       VAL  55  -4.569  -6.490  -4.126
  400    HB   VAL  55           HB       VAL  55  -3.639  -4.355  -3.527
  401   1HG1  VAL  55          1HG1      VAL  55  -2.154  -6.538  -2.027
  402   2HG1  VAL  55          2HG1      VAL  55  -2.582  -4.921  -1.419
  403   3HG1  VAL  55          3HG1      VAL  55  -3.862  -6.107  -1.774
  404   1HG2  VAL  55          1HG2      VAL  55  -1.110  -4.162  -3.229
  405   2HG2  VAL  55          2HG2      VAL  55  -0.983  -5.611  -4.256
  406   3HG2  VAL  55          3HG2      VAL  55  -1.723  -4.125  -4.900
  407    H    ASP  56           H        ASP  56  -1.543  -6.032  -6.071
  408    HA   ASP  56           HA       ASP  56  -2.536  -4.330  -7.920
  409   1HB   ASP  56          1HB       ASP  56  -0.163  -5.173  -7.728
  410   2HB   ASP  56          2HB       ASP  56  -0.669  -6.692  -8.440
  411    H    ALA  57           H        ALA  57  -4.509  -4.619  -8.997
  412    HA   ALA  57           HA       ALA  57  -5.348  -7.294  -9.708
  413   1HB   ALA  57          1HB       ALA  57  -7.207  -5.509 -10.723
  414   2HB   ALA  57          2HB       ALA  57  -7.264  -6.253  -9.107
  415   3HB   ALA  57          3HB       ALA  57  -6.554  -4.634  -9.317
  416    H    ASP  58           H        ASP  58  -4.796  -4.122 -11.404
  417    HA   ASP  58           HA       ASP  58  -5.203  -4.760 -13.906
  418   1HB   ASP  58          1HB       ASP  58  -2.708  -3.513 -14.124
  419   2HB   ASP  58          2HB       ASP  58  -4.255  -2.700 -14.007
  420    H    GLY  59           H        GLY  59  -2.494  -5.890 -11.849
  421   1HA   GLY  59          1HA       GLY  59  -1.324  -7.855 -12.128
  422   2HA   GLY  59          2HA       GLY  59  -1.876  -7.975 -13.787
  423    H    ASP  60           H        ASP  60   0.464  -6.412 -11.582
  424    HA   ASP  60           HA       ASP  60   2.236  -6.149 -13.827
  425   1HB   ASP  60          1HB       ASP  60   2.564  -3.751 -12.281
  426   2HB   ASP  60          2HB       ASP  60   2.139  -3.892 -13.975
  427    H    GLY  61           H        GLY  61   1.679  -5.258 -10.333
  428   1HA   GLY  61          1HA       GLY  61   2.878  -6.634  -8.692
  429   2HA   GLY  61          2HA       GLY  61   4.306  -6.465  -9.695
  430    H    THR  62           H        THR  62   1.822  -3.960  -8.885
  431    HA   THR  62           HA       THR  62   3.703  -2.638  -7.112
  432    HB   THR  62           HB       THR  62   2.620  -1.292  -9.642
  433    HG1  THR  62           HG1      THR  62   4.293  -2.718 -10.251
  434   1HG2  THR  62          1HG2      THR  62   4.891  -0.427  -7.792
  435   2HG2  THR  62          2HG2      THR  62   4.104   0.526  -9.073
  436   3HG2  THR  62          3HG2      THR  62   3.224   0.157  -7.570
  437    H    ILE  63           H        ILE  63   2.721  -0.931  -5.839
  438    HA   ILE  63           HA       ILE  63  -0.069  -1.554  -5.386
  439    HB   ILE  63           HB       ILE  63   1.892   0.172  -3.869
  440   1HG1  ILE  63          1HG1      ILE  63   1.267  -2.723  -3.845
  441   2HG1  ILE  63          2HG1      ILE  63   2.743  -1.880  -3.418
  442   1HG2  ILE  63          1HG2      ILE  63   0.231   0.097  -2.049
  443   2HG2  ILE  63          2HG2      ILE  63  -0.377   0.943  -3.493
  444   3HG2  ILE  63          3HG2      ILE  63  -0.913  -0.718  -3.143
  445   1HD1  ILE  63          1HD1      ILE  63   1.715  -1.132  -1.277
  446   2HD1  ILE  63          2HD1      ILE  63   0.213  -1.983  -1.711
  447   3HD1  ILE  63          3HD1      ILE  63   1.707  -2.907  -1.419
  448    H    ASP  64           H        ASP  64  -1.620   0.309  -4.968
  449    HA   ASP  64           HA       ASP  64  -0.944   2.688  -6.427
  450   1HB   ASP  64          1HB       ASP  64  -2.071   0.772  -7.929
  451   2HB   ASP  64          2HB       ASP  64  -3.544   1.330  -7.161
  452    H    PHE  65           H        PHE  65  -2.589   4.430  -5.979
  453    HA   PHE  65           HA       PHE  65  -3.410   4.557  -3.394
  454   1HB   PHE  65          1HB       PHE  65  -3.396   6.164  -5.630
  455   2HB   PHE  65          2HB       PHE  65  -5.111   5.812  -5.566
  456    HD1  PHE  65           HD1      PHE  65  -2.823   6.264  -2.677
  457    HD2  PHE  65           HD2      PHE  65  -5.999   7.898  -4.969
  458    HE1  PHE  65           HE1      PHE  65  -3.130   8.072  -0.963
  459    HE2  PHE  65           HE2      PHE  65  -6.305   9.706  -3.255
  460    HZ   PHE  65           HZ       PHE  65  -4.868   9.771  -1.273
  461    HA   PRO  66           HA       PRO  66  -7.654   2.944  -4.768
  462   1HB   PRO  66          1HB       PRO  66  -7.923   1.744  -7.209
  463   2HB   PRO  66          2HB       PRO  66  -8.316   3.427  -6.920
  464   1HG   PRO  66          1HG       PRO  66  -5.967   2.283  -8.303
  465   2HG   PRO  66          2HG       PRO  66  -6.592   3.919  -8.371
  466   1HD   PRO  66          1HD       PRO  66  -4.299   3.018  -6.902
  467   2HD   PRO  66          2HD       PRO  66  -4.993   4.627  -6.879
  468    H    GLU  67           H        GLU  67  -4.863   1.147  -5.766
  469    HA   GLU  67           HA       GLU  67  -6.069  -1.347  -5.260
  470   1HB   GLU  67          1HB       GLU  67  -3.219  -0.403  -5.688
  471   2HB   GLU  67          2HB       GLU  67  -3.543  -2.065  -5.237
  472   1HG   GLU  67          1HG       GLU  67  -4.892  -2.441  -7.217
  473   2HG   GLU  67          2HG       GLU  67  -4.945  -0.729  -7.591
  474    H    PHE  68           H        PHE  68  -3.494   0.529  -3.491
  475    HA   PHE  68           HA       PHE  68  -3.281  -1.076  -1.306
  476   1HB   PHE  68          1HB       PHE  68  -2.248   1.292  -2.163
  477   2HB   PHE  68          2HB       PHE  68  -3.417   1.953  -1.036
  478    HD1  PHE  68           HD1      PHE  68  -2.035   2.827   0.639
  479    HD2  PHE  68           HD2      PHE  68  -1.453  -1.175  -0.645
  480    HE1  PHE  68           HE1      PHE  68  -0.425   2.455   2.529
  481    HE2  PHE  68           HE2      PHE  68   0.157  -1.548   1.244
  482    HZ   PHE  68           HZ       PHE  68   0.652   0.272   2.809
  483    H    LEU  69           H        LEU  69  -5.519   1.765  -1.699
  484    HA   LEU  69           HA       LEU  69  -6.714   1.623   0.763
  485   1HB   LEU  69          1HB       LEU  69  -8.088   3.200  -0.029
  486   2HB   LEU  69          2HB       LEU  69  -6.923   3.235  -1.337
  487    HG   LEU  69           HG       LEU  69  -8.509   1.479  -2.461
  488   1HD1  LEU  69          1HD1      LEU  69 -10.941   2.142  -1.809
  489   2HD1  LEU  69          2HD1      LEU  69 -10.069   0.922  -0.849
  490   3HD1  LEU  69          3HD1      LEU  69 -10.210   2.592  -0.250
  491   1HD2  LEU  69          1HD2      LEU  69  -9.389   3.165  -3.755
  492   2HD2  LEU  69          2HD2      LEU  69  -9.667   4.242  -2.366
  493   3HD2  LEU  69          3HD2      LEU  69  -8.017   3.998  -2.987
  494    H    THR  70           H        THR  70  -7.508  -0.179  -2.265
  495    HA   THR  70           HA       THR  70  -9.756  -1.492  -1.182
  496    HB   THR  70           HB       THR  70  -7.859  -2.025  -3.520
  497    HG1  THR  70           HG1      THR  70  -9.453  -0.134  -3.281
  498   1HG2  THR  70          1HG2      THR  70 -10.644  -3.194  -3.295
  499   2HG2  THR  70          2HG2      THR  70  -9.278  -3.737  -4.300
  500   3HG2  THR  70          3HG2      THR  70  -9.287  -4.076  -2.553
  501    H    MET  71           H        MET  71  -6.262  -2.353  -1.340
  502    HA   MET  71           HA       MET  71  -6.493  -4.924  -0.465
  503   1HB   MET  71          1HB       MET  71  -4.355  -4.056  -1.226
  504   2HB   MET  71          2HB       MET  71  -4.380  -2.754  -0.054
  505   1HG   MET  71          1HG       MET  71  -2.814  -4.666   0.544
  506   2HG   MET  71          2HG       MET  71  -3.981  -4.276   1.793
  507   1HE   MET  71          1HE       MET  71  -3.995  -8.061   2.306
  508   2HE   MET  71          2HE       MET  71  -2.565  -7.075   1.914
  509   3HE   MET  71          3HE       MET  71  -3.815  -6.435   3.008
  510    H    MET  72           H        MET  72  -5.779  -2.000   1.589
  511    HA   MET  72           HA       MET  72  -5.909  -3.325   3.985
  512   1HB   MET  72          1HB       MET  72  -5.178  -0.875   3.345
  513   2HB   MET  72          2HB       MET  72  -6.866  -0.452   3.557
  514   1HG   MET  72          1HG       MET  72  -5.222  -1.864   5.711
  515   2HG   MET  72          2HG       MET  72  -5.386  -0.122   5.623
  516   1HE   MET  72          1HE       MET  72  -6.721  -0.890   8.474
  517   2HE   MET  72          2HE       MET  72  -7.666  -2.383   8.259
  518   3HE   MET  72          3HE       MET  72  -5.976  -2.312   7.704
  519    H    ALA  73           H        ALA  73  -8.504  -1.311   2.409
  520    HA   ALA  73           HA       ALA  73 -10.486  -1.683   4.230
  521   1HB   ALA  73          1HB       ALA  73 -12.019  -1.420   2.219
  522   2HB   ALA  73          2HB       ALA  73 -10.749  -0.182   2.374
  523   3HB   ALA  73          3HB       ALA  73 -10.565  -1.505   1.197
  524    H    ARG  74           H        ARG  74  -9.783  -3.793   1.352
  525    HA   ARG  74           HA       ARG  74 -11.728  -5.641   1.960
  526   1HB   ARG  74          1HB       ARG  74  -9.105  -5.839   0.415
  527   2HB   ARG  74          2HB       ARG  74 -10.198  -7.204   0.532
  528   1HG   ARG  74          1HG       ARG  74 -11.911  -5.109  -0.179
  529   2HG   ARG  74          2HG       ARG  74 -10.449  -4.727  -1.068
  530   1HD   ARG  74          1HD       ARG  74 -11.669  -7.522  -1.105
  531   2HD   ARG  74          2HD       ARG  74 -12.164  -6.281  -2.239
  532    HE   ARG  74           HE       ARG  74  -9.253  -6.665  -2.094
  533   1HH1  ARG  74          2HH2      ARG  74 -12.242  -7.657  -3.665
  534   2HH1  ARG  74          1HH2      ARG  74 -11.447  -8.257  -5.082
  535   1HH2  ARG  74          2HH1      ARG  74  -8.205  -7.456  -3.964
  536   2HH2  ARG  74          1HH1      ARG  74  -9.135  -8.141  -5.254
  537    H    LYS  75           H        LYS  75  -8.404  -5.180   3.153
  538    HA   LYS  75           HA       LYS  75  -7.959  -7.725   4.187
  539   1HB   LYS  75          1HB       LYS  75  -6.322  -5.794   3.854
  540   2HB   LYS  75          2HB       LYS  75  -6.925  -5.136   5.361
  541   1HG   LYS  75          1HG       LYS  75  -4.990  -6.461   5.922
  542   2HG   LYS  75          2HG       LYS  75  -6.385  -7.368   6.469
  543   1HD   LYS  75          1HD       LYS  75  -5.606  -7.956   3.662
  544   2HD   LYS  75          2HD       LYS  75  -4.370  -8.364   4.835
  545   1HE   LYS  75          1HE       LYS  75  -6.968  -9.217   5.840
  546   2HE   LYS  75          2HE       LYS  75  -6.742  -9.838   4.217
  547   1HZ   LYS  75          1HZ       LYS  75  -4.673 -10.783   4.887
  548   2HZ   LYS  75          2HZ       LYS  75  -4.763 -10.110   6.372
  549   3HZ   LYS  75          3HZ       LYS  75  -5.823 -11.273   5.937
  550    H    MET  76           H        MET  76  -9.166  -4.739   5.879
  551    HA   MET  76           HA       MET  76  -9.719  -6.044   8.243
  552   1HB   MET  76          1HB       MET  76 -11.050  -4.012   8.752
  553   2HB   MET  76          2HB       MET  76  -9.592  -3.548   7.898
  554   1HG   MET  76          1HG       MET  76 -10.740  -2.950   5.960
  555   2HG   MET  76          2HG       MET  76 -11.993  -4.152   6.196
  556   1HE   MET  76          1HE       MET  76 -14.110  -3.850   7.644
  557   2HE   MET  76          2HE       MET  76 -13.013  -3.829   9.046
  558   3HE   MET  76          3HE       MET  76 -14.282  -2.590   8.889
  559    H    LYS  77           H        LYS  77 -11.398  -6.069   5.173
  560    HA   LYS  77           HA       LYS  77 -13.999  -6.544   6.075
  561   1HB   LYS  77          1HB       LYS  77 -12.682  -6.272   3.624
  562   2HB   LYS  77          2HB       LYS  77 -13.324  -7.902   3.585
  563   1HG   LYS  77          1HG       LYS  77 -15.551  -6.833   4.461
  564   2HG   LYS  77          2HG       LYS  77 -14.846  -5.301   3.985
  565   1HD   LYS  77          1HD       LYS  77 -14.851  -7.594   2.007
  566   2HD   LYS  77          2HD       LYS  77 -16.332  -6.694   2.269
  567   1HE   LYS  77          1HE       LYS  77 -15.205  -4.576   1.678
  568   2HE   LYS  77          2HE       LYS  77 -13.661  -5.396   1.547
  569   1HZ   LYS  77          1HZ       LYS  77 -15.953  -5.544  -0.229
  570   2HZ   LYS  77          2HZ       LYS  77 -14.369  -5.388  -0.594
  571   3HZ   LYS  77          3HZ       LYS  77 -14.962  -6.839  -0.136
  572    H    ASP  78           H        ASP  78 -11.479  -8.904   4.927
  573    HA   ASP  78           HA       ASP  78 -12.869 -11.151   5.516
  574   1HB   ASP  78          1HB       ASP  78 -10.665 -11.039   4.328
  575   2HB   ASP  78          2HB       ASP  78  -9.869 -10.672   5.846
  576    H    THR  79           H        THR  79 -10.267  -9.597   7.560
  577    HA   THR  79           HA       THR  79 -10.765 -11.168   9.831
  578    HB   THR  79           HB       THR  79  -8.672  -9.823   9.219
  579    HG1  THR  79           HG1      THR  79  -9.408 -10.652  11.426
  580   1HG2  THR  79          1HG2      THR  79  -9.514  -7.474  10.725
  581   2HG2  THR  79          2HG2      THR  79  -8.754  -7.542   9.117
  582   3HG2  THR  79          3HG2      THR  79 -10.524  -7.640   9.269
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1 -18.329  10.174   4.647
    2    HA   ALA   1           HA       ALA   1 -20.296  10.408   3.369
    3   1HB   ALA   1          1HB       ALA   1 -18.674   9.710   1.299
    4   2HB   ALA   1          2HB       ALA   1 -19.594   8.200   1.502
    5   3HB   ALA   1          3HB       ALA   1 -20.451   9.729   1.196
    6    H    ASP   2           H        ASP   2 -19.130   8.766   5.612
    7    HA   ASP   2           HA       ASP   2 -19.688   7.135   6.928
    8   1HB   ASP   2          1HB       ASP   2 -22.311   7.532   5.446
    9   2HB   ASP   2          2HB       ASP   2 -22.175   6.304   6.688
   10    H    GLN   3           H        GLN   3 -18.588   6.537   4.153
   11    HA   GLN   3           HA       GLN   3 -19.531   3.781   4.007
   12   1HB   GLN   3          1HB       GLN   3 -19.019   5.771   1.791
   13   2HB   GLN   3          2HB       GLN   3 -18.763   4.066   1.479
   14   1HG   GLN   3          1HG       GLN   3 -21.194   3.898   2.682
   15   2HG   GLN   3          2HG       GLN   3 -21.323   5.531   2.059
   16   1HE2  GLN   3          1HE2      GLN   3 -23.070   4.488   0.831
   17   2HE2  GLN   3          2HE2      GLN   3 -22.711   3.757  -0.697
   18    H    LEU   4           H        LEU   4 -17.067   5.742   4.966
   19    HA   LEU   4           HA       LEU   4 -15.014   5.128   5.640
   20   1HB   LEU   4          1HB       LEU   4 -15.947   2.693   5.037
   21   2HB   LEU   4          2HB       LEU   4 -14.748   2.837   3.767
   22    HG   LEU   4           HG       LEU   4 -13.532   1.801   5.412
   23   1HD1  LEU   4          1HD1      LEU   4 -12.777   4.328   4.815
   24   2HD1  LEU   4          2HD1      LEU   4 -12.864   4.431   6.590
   25   3HD1  LEU   4          3HD1      LEU   4 -11.823   3.211   5.819
   26   1HD2  LEU   4          1HD2      LEU   4 -13.974   1.738   7.638
   27   2HD2  LEU   4          2HD2      LEU   4 -14.384   3.468   7.726
   28   3HD2  LEU   4          3HD2      LEU   4 -15.562   2.306   7.071
   29    H    THR   5           H        THR   5 -15.637   4.537   2.114
   30    HA   THR   5           HA       THR   5 -13.331   5.146   0.964
   31    HB   THR   5           HB       THR   5 -16.153   6.124   0.315
   32    HG1  THR   5           HG1      THR   5 -15.761   3.832   0.235
   33   1HG2  THR   5          1HG2      THR   5 -15.457   6.773  -1.844
   34   2HG2  THR   5          2HG2      THR   5 -14.103   7.379  -0.860
   35   3HG2  THR   5          3HG2      THR   5 -13.945   5.839  -1.741
   36    H    GLU   6           H        GLU   6 -15.572   7.696   2.235
   37    HA   GLU   6           HA       GLU   6 -13.875   9.780   1.567
   38   1HB   GLU   6          1HB       GLU   6 -16.420   9.612   2.488
   39   2HB   GLU   6          2HB       GLU   6 -15.626  10.046   3.988
   40   1HG   GLU   6          1HG       GLU   6 -15.493  12.203   3.314
   41   2HG   GLU   6          2HG       GLU   6 -14.517  11.728   1.938
   42    H    GLU   7           H        GLU   7 -14.325   7.960   4.672
   43    HA   GLU   7           HA       GLU   7 -12.472   9.428   6.103
   44   1HB   GLU   7          1HB       GLU   7 -13.215   6.495   6.486
   45   2HB   GLU   7          2HB       GLU   7 -12.522   7.551   7.701
   46   1HG   GLU   7          1HG       GLU   7 -14.806   8.934   6.703
   47   2HG   GLU   7          2HG       GLU   7 -15.313   7.267   6.893
   48    H    GLN   8           H        GLN   8 -12.097   6.133   4.593
   49    HA   GLN   8           HA       GLN   8  -9.459   5.820   5.107
   50   1HB   GLN   8          1HB       GLN   8  -9.443   4.203   3.265
   51   2HB   GLN   8          2HB       GLN   8 -10.955   4.083   4.143
   52   1HG   GLN   8          1HG       GLN   8 -12.015   5.612   2.412
   53   2HG   GLN   8          2HG       GLN   8 -10.517   5.560   1.506
   54   1HE2  GLN   8          1HE2      GLN   8 -12.449   3.157   3.297
   55   2HE2  GLN   8          2HE2      GLN   8 -12.598   1.999   2.018
   56    H    ILE   9           H        ILE   9 -10.987   7.422   2.236
   57    HA   ILE   9           HA       ILE   9  -8.608   7.990   0.908
   58    HB   ILE   9           HB       ILE   9 -11.358   9.204   0.878
   59   1HG1  ILE   9          1HG1      ILE   9 -10.948   6.883  -0.011
   60   2HG1  ILE   9          2HG1      ILE   9 -11.650   8.016  -1.148
   61   1HG2  ILE   9          1HG2      ILE   9  -8.873  10.277  -0.289
   62   2HG2  ILE   9          2HG2      ILE   9 -10.229  10.109  -1.429
   63   3HG2  ILE   9          3HG2      ILE   9 -10.427  11.073   0.054
   64   1HD1  ILE   9          1HD1      ILE   9  -9.954   7.030  -2.438
   65   2HD1  ILE   9          2HD1      ILE   9  -9.139   8.493  -1.833
   66   3HD1  ILE   9          3HD1      ILE   9  -8.833   6.919  -1.059
   67    H    ALA  10           H        ALA  10 -10.248   9.538   3.656
   68    HA   ALA  10           HA       ALA  10  -8.941  12.002   3.543
   69   1HB   ALA  10          1HB       ALA  10 -10.804  10.657   5.185
   70   2HB   ALA  10          2HB       ALA  10  -9.448  11.089   6.255
   71   3HB   ALA  10          3HB       ALA  10 -10.279  12.353   5.315
   72    H    GLU  11           H        GLU  11  -8.132   8.937   5.314
   73    HA   GLU  11           HA       GLU  11  -5.738  10.008   6.316
   74   1HB   GLU  11          1HB       GLU  11  -7.299   7.745   6.797
   75   2HB   GLU  11          2HB       GLU  11  -5.851   7.065   6.082
   76   1HG   GLU  11          1HG       GLU  11  -4.770   8.928   7.827
   77   2HG   GLU  11          2HG       GLU  11  -6.204   8.430   8.702
   78    H    PHE  12           H        PHE  12  -6.558   7.801   3.565
   79    HA   PHE  12           HA       PHE  12  -4.038   7.163   2.743
   80   1HB   PHE  12          1HB       PHE  12  -6.786   7.257   1.760
   81   2HB   PHE  12          2HB       PHE  12  -5.738   7.808   0.468
   82    HD1  PHE  12           HD1      PHE  12  -6.108   5.015   2.906
   83    HD2  PHE  12           HD2      PHE  12  -4.689   6.250  -0.898
   84    HE1  PHE  12           HE1      PHE  12  -5.556   2.633   2.338
   85    HE2  PHE  12           HE2      PHE  12  -4.137   3.868  -1.466
   86    HZ   PHE  12           HZ       PHE  12  -4.577   2.088   0.159
   87    H    LYS  13           H        LYS  13  -5.956  10.136   2.006
   88    HA   LYS  13           HA       LYS  13  -4.405  11.257   0.085
   89   1HB   LYS  13          1HB       LYS  13  -6.542  12.039   1.620
   90   2HB   LYS  13          2HB       LYS  13  -5.300  13.146   2.167
   91   1HG   LYS  13          1HG       LYS  13  -5.447  14.343   0.247
   92   2HG   LYS  13          2HG       LYS  13  -5.114  12.916  -0.715
   93   1HD   LYS  13          1HD       LYS  13  -7.406  12.378  -0.967
   94   2HD   LYS  13          2HD       LYS  13  -7.882  13.288   0.454
   95   1HE   LYS  13          1HE       LYS  13  -6.592  14.939  -1.659
   96   2HE   LYS  13          2HE       LYS  13  -8.099  14.197  -2.159
   97   1HZ   LYS  13          1HZ       LYS  13  -7.983  16.439  -0.804
   98   2HZ   LYS  13          2HZ       LYS  13  -9.254  15.419  -0.701
   99   3HZ   LYS  13          3HZ       LYS  13  -8.101  15.406   0.455
  100    H    GLU  14           H        GLU  14  -3.972  11.735   3.666
  101    HA   GLU  14           HA       GLU  14  -1.523  13.047   3.279
  102   1HB   GLU  14          1HB       GLU  14  -3.292  12.384   5.475
  103   2HB   GLU  14          2HB       GLU  14  -1.650  11.972   5.929
  104   1HG   GLU  14          1HG       GLU  14  -0.913  14.280   5.191
  105   2HG   GLU  14          2HG       GLU  14  -2.588  14.678   4.867
  106    H    ALA  15           H        ALA  15  -2.497   9.667   4.015
  107    HA   ALA  15           HA       ALA  15  -0.049   8.630   4.718
  108   1HB   ALA  15          1HB       ALA  15  -1.685   6.905   2.971
  109   2HB   ALA  15          2HB       ALA  15  -1.202   6.682   4.670
  110   3HB   ALA  15          3HB       ALA  15  -2.611   7.693   4.271
  111    H    PHE  16           H        PHE  16  -1.526   8.899   1.408
  112    HA   PHE  16           HA       PHE  16   0.228   7.761  -0.169
  113   1HB   PHE  16          1HB       PHE  16  -1.750   9.430  -0.622
  114   2HB   PHE  16          2HB       PHE  16  -0.562  10.712  -0.494
  115    HD1  PHE  16           HD1      PHE  16  -0.633   7.389  -2.214
  116    HD2  PHE  16           HD2      PHE  16  -0.014  11.573  -2.550
  117    HE1  PHE  16           HE1      PHE  16  -0.071   7.110  -4.644
  118    HE2  PHE  16           HE2      PHE  16   0.549  11.295  -4.980
  119    HZ   PHE  16           HZ       PHE  16   0.514   9.067  -5.998
  120    H    SER  17           H        SER  17   0.788  11.040   1.288
  121    HA   SER  17           HA       SER  17   3.121  11.651   0.128
  122   1HB   SER  17          1HB       SER  17   1.875  13.068   1.766
  123   2HB   SER  17          2HB       SER  17   2.429  12.042   3.074
  124    HG   SER  17           HG       SER  17   3.674  14.114   2.546
  125    H    LEU  18           H        LEU  18   2.804   9.871   3.295
  126    HA   LEU  18           HA       LEU  18   5.556   9.185   3.317
  127   1HB   LEU  18          1HB       LEU  18   3.168   8.306   4.933
  128   2HB   LEU  18          2HB       LEU  18   4.780   7.673   5.203
  129    HG   LEU  18           HG       LEU  18   4.017  10.600   5.394
  130   1HD1  LEU  18          1HD1      LEU  18   4.289  10.287   7.837
  131   2HD1  LEU  18          2HD1      LEU  18   2.923   9.370   7.157
  132   3HD1  LEU  18          3HD1      LEU  18   4.440   8.534   7.569
  133   1HD2  LEU  18          1HD2      LEU  18   6.288  10.590   6.680
  134   2HD2  LEU  18          2HD2      LEU  18   6.604   9.117   5.732
  135   3HD2  LEU  18          3HD2      LEU  18   6.270  10.656   4.901
  136    H    PHE  19           H        PHE  19   2.513   7.273   2.776
  137    HA   PHE  19           HA       PHE  19   3.497   4.847   2.295
  138   1HB   PHE  19          1HB       PHE  19   1.101   5.717   2.082
  139   2HB   PHE  19          2HB       PHE  19   1.525   6.429   0.538
  140    HD1  PHE  19           HD1      PHE  19   0.286   5.274  -1.045
  141    HD2  PHE  19           HD2      PHE  19   2.373   3.072   1.922
  142    HE1  PHE  19           HE1      PHE  19  -0.329   3.132  -2.201
  143    HE2  PHE  19           HE2      PHE  19   1.758   0.931   0.766
  144    HZ   PHE  19           HZ       PHE  19   0.414   0.986  -1.281
  145    H    ASP  20           H        ASP  20   3.539   7.601  -0.052
  146    HA   ASP  20           HA       ASP  20   4.925   5.942  -1.938
  147   1HB   ASP  20          1HB       ASP  20   3.145   7.820  -2.411
  148   2HB   ASP  20          2HB       ASP  20   4.471   8.939  -2.166
  149    H    LYS  21           H        LYS  21   7.086   5.606  -1.276
  150    HA   LYS  21           HA       LYS  21   8.547   7.529   0.174
  151   1HB   LYS  21          1HB       LYS  21   9.593   5.158  -1.398
  152   2HB   LYS  21          2HB       LYS  21  10.411   6.003  -0.100
  153   1HG   LYS  21          1HG       LYS  21   7.711   4.626   0.255
  154   2HG   LYS  21          2HG       LYS  21   9.238   3.827   0.569
  155   1HD   LYS  21          1HD       LYS  21   9.756   5.237   2.407
  156   2HD   LYS  21          2HD       LYS  21   8.665   6.501   1.874
  157   1HE   LYS  21          1HE       LYS  21   6.722   4.894   2.318
  158   2HE   LYS  21          2HE       LYS  21   7.878   3.788   3.035
  159   1HZ   LYS  21          1HZ       LYS  21   8.490   5.989   4.322
  160   2HZ   LYS  21          2HZ       LYS  21   6.914   6.310   4.036
  161   3HZ   LYS  21          3HZ       LYS  21   7.338   4.958   4.849
  162    H    ASP  22           H        ASP  22   9.059   6.301  -3.214
  163    HA   ASP  22           HA       ASP  22  10.857   8.218  -3.912
  164   1HB   ASP  22          1HB       ASP  22  10.629   6.459  -5.450
  165   2HB   ASP  22          2HB       ASP  22   8.878   6.507  -5.407
  166    H    GLY  23           H        GLY  23   7.291   8.100  -4.703
  167   1HA   GLY  23          1HA       GLY  23   5.817   9.888  -4.448
  168   2HA   GLY  23          2HA       GLY  23   7.158  11.016  -4.434
  169    H    ASP  24           H        ASP  24   6.344   8.332  -6.741
  170    HA   ASP  24           HA       ASP  24   6.479  10.346  -8.837
  171   1HB   ASP  24          1HB       ASP  24   6.885   8.393 -10.362
  172   2HB   ASP  24          2HB       ASP  24   8.112   8.558  -9.122
  173    H    GLY  25           H        GLY  25   4.377   8.398  -6.966
  174   1HA   GLY  25          1HA       GLY  25   2.027   8.661  -7.246
  175   2HA   GLY  25          2HA       GLY  25   2.240   8.651  -8.985
  176    H    THR  26           H        THR  26   4.173   6.408  -7.060
  177    HA   THR  26           HA       THR  26   2.265   4.260  -7.259
  178    HB   THR  26           HB       THR  26   4.055   2.952  -8.689
  179    HG1  THR  26           HG1      THR  26   5.504   4.933  -8.384
  180   1HG2  THR  26          1HG2      THR  26   1.772   3.845  -9.549
  181   2HG2  THR  26          2HG2      THR  26   2.674   5.267 -10.126
  182   3HG2  THR  26          3HG2      THR  26   3.051   3.651 -10.772
  183    H    ILE  27           H        ILE  27   2.600   2.737  -5.716
  184    HA   ILE  27           HA       ILE  27   4.969   3.182  -4.063
  185    HB   ILE  27           HB       ILE  27   2.201   2.185  -3.578
  186   1HG1  ILE  27          1HG1      ILE  27   2.675   3.608  -1.460
  187   2HG1  ILE  27          2HG1      ILE  27   4.075   4.194  -2.336
  188   1HG2  ILE  27          1HG2      ILE  27   4.643   1.352  -2.005
  189   2HG2  ILE  27          2HG2      ILE  27   3.003   1.368  -1.314
  190   3HG2  ILE  27          3HG2      ILE  27   3.370   0.326  -2.709
  191   1HD1  ILE  27          1HD1      ILE  27   2.266   5.728  -2.795
  192   2HD1  ILE  27          2HD1      ILE  27   2.511   4.770  -4.276
  193   3HD1  ILE  27          3HD1      ILE  27   1.155   4.394  -3.187
  194    H    THR  28           H        THR  28   6.619   2.039  -5.049
  195    HA   THR  28           HA       THR  28   6.288  -0.422  -6.329
  196    HB   THR  28           HB       THR  28   8.584   1.177  -5.151
  197    HG1  THR  28           HG1      THR  28   7.385   1.472  -7.294
  198   1HG2  THR  28          1HG2      THR  28   9.491  -1.027  -4.836
  199   2HG2  THR  28          2HG2      THR  28   8.650  -1.659  -6.272
  200   3HG2  THR  28          3HG2      THR  28  10.033  -0.555  -6.464
  201    H    THR  29           H        THR  29   7.049  -2.564  -5.694
  202    HA   THR  29           HA       THR  29   5.829  -3.461  -3.388
  203    HB   THR  29           HB       THR  29   7.212  -5.538  -3.875
  204    HG1  THR  29           HG1      THR  29   8.547  -5.072  -5.946
  205   1HG2  THR  29          1HG2      THR  29   6.072  -4.065  -6.308
  206   2HG2  THR  29          2HG2      THR  29   6.545  -5.781  -6.307
  207   3HG2  THR  29          3HG2      THR  29   5.203  -5.228  -5.277
  208    H    LYS  30           H        LYS  30   9.339  -2.731  -3.911
  209    HA   LYS  30           HA       LYS  30  10.044  -3.369  -1.268
  210   1HB   LYS  30          1HB       LYS  30  12.172  -2.726  -1.868
  211   2HB   LYS  30          2HB       LYS  30  11.482  -3.125  -3.428
  212   1HG   LYS  30          1HG       LYS  30  10.764  -0.529  -3.382
  213   2HG   LYS  30          2HG       LYS  30  12.110  -0.414  -2.266
  214   1HD   LYS  30          1HD       LYS  30  13.116  -2.007  -4.361
  215   2HD   LYS  30          2HD       LYS  30  12.136  -0.810  -5.184
  216   1HE   LYS  30          1HE       LYS  30  13.523   0.940  -4.596
  217   2HE   LYS  30          2HE       LYS  30  13.859   0.283  -3.007
  218   1HZ   LYS  30          1HZ       LYS  30  15.630   0.260  -4.896
  219   2HZ   LYS  30          2HZ       LYS  30  15.556  -0.951  -3.803
  220   3HZ   LYS  30          3HZ       LYS  30  14.912  -1.153  -5.290
  221    H    GLU  31           H        GLU  31   8.684  -0.486  -2.830
  222    HA   GLU  31           HA       GLU  31   9.373   1.305  -0.809
  223   1HB   GLU  31          1HB       GLU  31   7.463   1.248  -3.114
  224   2HB   GLU  31          2HB       GLU  31   7.124   2.423  -1.859
  225   1HG   GLU  31          1HG       GLU  31   9.515   3.241  -2.041
  226   2HG   GLU  31          2HG       GLU  31   9.759   2.132  -3.376
  227    H    LEU  32           H        LEU  32   6.861  -1.156  -1.123
  228    HA   LEU  32           HA       LEU  32   5.084  -0.084   0.788
  229   1HB   LEU  32          1HB       LEU  32   4.263  -1.633  -0.786
  230   2HB   LEU  32          2HB       LEU  32   5.505  -2.811  -0.409
  231    HG   LEU  32           HG       LEU  32   3.316  -1.977   1.513
  232   1HD1  LEU  32          1HD1      LEU  32   2.686  -4.519   0.885
  233   2HD1  LEU  32          2HD1      LEU  32   1.999  -3.098   0.060
  234   3HD1  LEU  32          3HD1      LEU  32   3.360  -3.981  -0.672
  235   1HD2  LEU  32          1HD2      LEU  32   4.803  -2.865   2.960
  236   2HD2  LEU  32          2HD2      LEU  32   4.129  -4.401   2.365
  237   3HD2  LEU  32          3HD2      LEU  32   5.658  -3.783   1.697
  238    H    GLY  33           H        GLY  33   7.649  -2.648   0.973
  239   1HA   GLY  33          1HA       GLY  33   7.433  -3.294   3.631
  240   2HA   GLY  33          2HA       GLY  33   8.920  -3.317   2.705
  241    H    THR  34           H        THR  34   8.846  -0.372   2.116
  242    HA   THR  34           HA       THR  34  10.337   0.506   4.316
  243    HB   THR  34           HB       THR  34   8.926   2.083   2.098
  244    HG1  THR  34           HG1      THR  34  11.247   1.730   1.261
  245   1HG2  THR  34          1HG2      THR  34  11.087   3.487   2.383
  246   2HG2  THR  34          2HG2      THR  34   9.860   3.679   3.657
  247   3HG2  THR  34          3HG2      THR  34  11.290   2.660   3.946
  248    H    VAL  35           H        VAL  35   6.986   1.453   3.289
  249    HA   VAL  35           HA       VAL  35   6.465   3.102   5.421
  250    HB   VAL  35           HB       VAL  35   4.626   1.275   3.864
  251   1HG1  VAL  35          1HG1      VAL  35   2.927   3.130   4.524
  252   2HG1  VAL  35          2HG1      VAL  35   3.326   1.863   5.709
  253   3HG1  VAL  35          3HG1      VAL  35   4.067   3.476   5.846
  254   1HG2  VAL  35          1HG2      VAL  35   6.069   3.041   2.653
  255   2HG2  VAL  35          2HG2      VAL  35   4.317   3.030   2.338
  256   3HG2  VAL  35          3HG2      VAL  35   5.015   4.240   3.441
  257    H    MET  36           H        MET  36   5.717  -0.443   5.113
  258    HA   MET  36           HA       MET  36   4.554  -0.940   7.420
  259   1HB   MET  36          1HB       MET  36   6.877  -2.479   6.137
  260   2HB   MET  36          2HB       MET  36   5.859  -3.163   7.389
  261   1HG   MET  36          1HG       MET  36   4.635  -2.003   4.857
  262   2HG   MET  36          2HG       MET  36   5.248  -3.644   4.884
  263   1HE   MET  36          1HE       MET  36   2.436  -1.449   7.328
  264   2HE   MET  36          2HE       MET  36   2.885  -1.158   5.630
  265   3HE   MET  36          3HE       MET  36   1.397  -2.055   6.016
  266    H    ARG  37           H        ARG  37   8.099  -0.390   7.002
  267    HA   ARG  37           HA       ARG  37   8.810  -1.023   9.581
  268   1HB   ARG  37          1HB       ARG  37  10.044   0.973   7.618
  269   2HB   ARG  37          2HB       ARG  37  10.834   0.459   9.095
  270   1HG   ARG  37          1HG       ARG  37  10.421  -1.985   8.187
  271   2HG   ARG  37          2HG       ARG  37  10.170  -1.199   6.641
  272   1HD   ARG  37          1HD       ARG  37  12.575  -0.157   7.968
  273   2HD   ARG  37          2HD       ARG  37  12.658  -1.899   7.799
  274    HE   ARG  37           HE       ARG  37  11.804  -1.147   5.306
  275   1HH1  ARG  37          2HH2      ARG  37  14.433   0.006   7.340
  276   2HH1  ARG  37          1HH2      ARG  37  15.435   0.468   6.004
  277   1HH2  ARG  37          2HH1      ARG  37  13.124  -0.539   3.543
  278   2HH2  ARG  37          1HH1      ARG  37  14.685   0.156   3.830
  279    H    SER  38           H        SER  38   7.992   2.176   8.062
  280    HA   SER  38           HA       SER  38   8.465   3.863  10.044
  281   1HB   SER  38          1HB       SER  38   7.080   4.000   7.698
  282   2HB   SER  38          2HB       SER  38   5.747   4.159   8.825
  283    HG   SER  38           HG       SER  38   6.647   6.028   9.695
  284    H    LEU  39           H        LEU  39   5.997   1.322   9.988
  285    HA   LEU  39           HA       LEU  39   4.560   2.387  12.232
  286   1HB   LEU  39          1HB       LEU  39   4.423  -0.205  10.696
  287   2HB   LEU  39          2HB       LEU  39   3.420   0.132  12.093
  288    HG   LEU  39           HG       LEU  39   3.454   1.755   9.533
  289   1HD1  LEU  39          1HD1      LEU  39   1.004   0.746   9.540
  290   2HD1  LEU  39          2HD1      LEU  39   2.380  -0.130   8.827
  291   3HD1  LEU  39          3HD1      LEU  39   1.803  -0.555  10.456
  292   1HD2  LEU  39          1HD2      LEU  39   2.568   2.458  12.130
  293   2HD2  LEU  39          2HD2      LEU  39   2.339   3.343  10.603
  294   3HD2  LEU  39          3HD2      LEU  39   1.118   2.165  11.140
  295    H    GLY  40           H        GLY  40   6.866  -0.333  11.602
  296   1HA   GLY  40          1HA       GLY  40   8.552  -0.313  13.547
  297   2HA   GLY  40          2HA       GLY  40   7.137  -0.682  14.513
  298    H    GLN  41           H        GLN  41   7.997  -1.777  11.165
  299    HA   GLN  41           HA       GLN  41   8.258  -4.460  12.249
  300   1HB   GLN  41          1HB       GLN  41   6.343  -3.520  10.112
  301   2HB   GLN  41          2HB       GLN  41   7.007  -5.138   9.998
  302   1HG   GLN  41          1HG       GLN  41   6.289  -5.108  12.647
  303   2HG   GLN  41          2HG       GLN  41   5.090  -4.007  11.998
  304   1HE2  GLN  41          1HE2      GLN  41   3.266  -5.004  11.655
  305   2HE2  GLN  41          2HE2      GLN  41   3.036  -6.571  10.953
  306    H    ASN  42           H        ASN  42   9.011  -5.975  10.225
  307    HA   ASN  42           HA       ASN  42  10.639  -4.523   8.387
  308   1HB   ASN  42          1HB       ASN  42  11.764  -5.591  10.867
  309   2HB   ASN  42          2HB       ASN  42  12.452  -6.446   9.501
  310   1HD2  ASN  42          1HD2      ASN  42  11.448  -3.116  10.294
  311   2HD2  ASN  42          2HD2      ASN  42  12.875  -2.316   9.726
  312    HA   PRO  43           HA       PRO  43   9.051  -8.707   7.257
  313   1HB   PRO  43          1HB       PRO  43   7.278  -7.980   5.308
  314   2HB   PRO  43          2HB       PRO  43   6.808  -8.271   6.971
  315   1HG   PRO  43          1HG       PRO  43   7.102  -5.695   5.553
  316   2HG   PRO  43          2HG       PRO  43   6.245  -6.036   7.042
  317   1HD   PRO  43          1HD       PRO  43   8.804  -4.766   6.788
  318   2HD   PRO  43          2HD       PRO  43   7.999  -5.212   8.279
  319    H    THR  44           H        THR  44   8.931  -9.799   4.975
  320    HA   THR  44           HA       THR  44  11.310  -8.749   3.612
  321    HB   THR  44           HB       THR  44  11.062 -11.224   2.622
  322    HG1  THR  44           HG1      THR  44   9.373 -12.208   3.654
  323   1HG2  THR  44          1HG2      THR  44  12.866 -10.465   4.266
  324   2HG2  THR  44          2HG2      THR  44  11.736 -10.856   5.586
  325   3HG2  THR  44          3HG2      THR  44  12.327 -12.144   4.509
  326    H    GLU  45           H        GLU  45  11.338  -8.219   1.457
  327    HA   GLU  45           HA       GLU  45   8.959  -7.312   0.399
  328   1HB   GLU  45          1HB       GLU  45  10.259  -6.873  -1.641
  329   2HB   GLU  45          2HB       GLU  45  11.195  -6.440  -0.224
  330   1HG   GLU  45          1HG       GLU  45  12.193  -8.850  -0.374
  331   2HG   GLU  45          2HG       GLU  45  11.502  -8.904  -1.984
  332    H    ALA  46           H        ALA  46  10.332 -10.505   0.492
  333    HA   ALA  46           HA       ALA  46   9.199 -11.507  -1.896
  334   1HB   ALA  46          1HB       ALA  46  11.116 -12.495  -0.589
  335   2HB   ALA  46          2HB       ALA  46   9.942 -12.998   0.650
  336   3HB   ALA  46          3HB       ALA  46   9.836 -13.662  -0.998
  337    H    GLU  47           H        GLU  47   8.240 -11.910   1.593
  338    HA   GLU  47           HA       GLU  47   5.893 -13.193   1.102
  339   1HB   GLU  47          1HB       GLU  47   6.875 -11.418   3.340
  340   2HB   GLU  47          2HB       GLU  47   5.213 -11.972   3.367
  341   1HG   GLU  47          1HG       GLU  47   7.424 -13.979   2.864
  342   2HG   GLU  47          2HG       GLU  47   7.135 -13.423   4.501
  343    H    LEU  48           H        LEU  48   6.597  -9.660   1.175
  344    HA   LEU  48           HA       LEU  48   3.879  -8.906   0.874
  345   1HB   LEU  48          1HB       LEU  48   6.536  -7.540   0.748
  346   2HB   LEU  48          2HB       LEU  48   5.122  -6.713   0.124
  347    HG   LEU  48           HG       LEU  48   5.596  -6.057   2.423
  348   1HD1  LEU  48          1HD1      LEU  48   3.094  -7.714   2.598
  349   2HD1  LEU  48          2HD1      LEU  48   3.413  -6.069   3.199
  350   3HD1  LEU  48          3HD1      LEU  48   3.205  -6.354   1.454
  351   1HD2  LEU  48          1HD2      LEU  48   5.646  -7.509   4.267
  352   2HD2  LEU  48          2HD2      LEU  48   4.963  -8.863   3.335
  353   3HD2  LEU  48          3HD2      LEU  48   6.627  -8.316   3.019
  354    H    GLN  49           H        GLN  49   6.451  -9.977  -1.284
  355    HA   GLN  49           HA       GLN  49   5.701  -8.805  -3.615
  356   1HB   GLN  49          1HB       GLN  49   7.685 -10.367  -3.121
  357   2HB   GLN  49          2HB       GLN  49   6.589 -11.708  -3.389
  358   1HG   GLN  49          1HG       GLN  49   6.080 -10.833  -5.680
  359   2HG   GLN  49          2HG       GLN  49   7.177  -9.493  -5.412
  360   1HE2  GLN  49          1HE2      GLN  49   6.834 -12.612  -6.555
  361   2HE2  GLN  49          2HE2      GLN  49   8.495 -13.077  -6.707
  362    H    ASP  50           H        ASP  50   4.252 -11.609  -1.910
  363    HA   ASP  50           HA       ASP  50   2.599 -12.345  -4.049
  364   1HB   ASP  50          1HB       ASP  50   3.302 -13.616  -1.834
  365   2HB   ASP  50          2HB       ASP  50   1.914 -12.811  -1.129
  366    H    MET  51           H        MET  51   2.427 -10.048  -1.318
  367    HA   MET  51           HA       MET  51  -0.352  -9.663  -1.430
  368   1HB   MET  51          1HB       MET  51   2.025  -8.135  -0.276
  369   2HB   MET  51          2HB       MET  51   0.417  -7.445  -0.187
  370   1HG   MET  51          1HG       MET  51   0.279 -10.220   0.655
  371   2HG   MET  51          2HG       MET  51   1.577  -9.433   1.531
  372   1HE   MET  51          1HE       MET  51   1.216  -7.767   3.479
  373   2HE   MET  51          2HE       MET  51   1.075  -6.680   2.077
  374   3HE   MET  51          3HE       MET  51  -0.091  -6.562   3.417
  375    H    ILE  52           H        ILE  52   2.421  -7.555  -2.499
  376    HA   ILE  52           HA       ILE  52   0.988  -5.573  -3.680
  377    HB   ILE  52           HB       ILE  52   2.992  -5.326  -5.181
  378   1HG1  ILE  52          1HG1      ILE  52   4.928  -6.879  -4.124
  379   2HG1  ILE  52          2HG1      ILE  52   3.581  -7.994  -4.002
  380   1HG2  ILE  52          1HG2      ILE  52   4.531  -5.238  -2.940
  381   2HG2  ILE  52          2HG2      ILE  52   3.341  -3.999  -3.403
  382   3HG2  ILE  52          3HG2      ILE  52   2.897  -5.265  -2.233
  383   1HD1  ILE  52          1HD1      ILE  52   4.861  -6.816  -6.455
  384   2HD1  ILE  52          2HD1      ILE  52   4.276  -8.472  -6.165
  385   3HD1  ILE  52          3HD1      ILE  52   3.117  -7.168  -6.517
  386    H    ASN  53           H        ASN  53   1.986  -8.735  -5.134
  387    HA   ASN  53           HA       ASN  53   0.966  -8.228  -7.633
  388   1HB   ASN  53          1HB       ASN  53   2.440 -10.176  -7.014
  389   2HB   ASN  53          2HB       ASN  53   1.107 -10.898  -6.134
  390   1HD2  ASN  53          1HD2      ASN  53   2.780 -11.255  -8.794
  391   2HD2  ASN  53          2HD2      ASN  53   1.597 -11.801  -9.936
  392    H    GLU  54           H        GLU  54  -0.516  -9.388  -4.577
  393    HA   GLU  54           HA       GLU  54  -2.927 -10.221  -5.749
  394   1HB   GLU  54          1HB       GLU  54  -2.241 -11.101  -3.587
  395   2HB   GLU  54          2HB       GLU  54  -2.169  -9.495  -2.889
  396   1HG   GLU  54          1HG       GLU  54  -4.268 -10.164  -2.133
  397   2HG   GLU  54          2HG       GLU  54  -4.726  -9.373  -3.628
  398    H    VAL  55           H        VAL  55  -2.071  -7.302  -3.745
  399    HA   VAL  55           HA       VAL  55  -4.527  -6.035  -4.085
  400    HB   VAL  55           HB       VAL  55  -3.482  -4.150  -3.144
  401   1HG1  VAL  55          1HG1      VAL  55  -3.257  -5.258  -1.223
  402   2HG1  VAL  55          2HG1      VAL  55  -2.969  -6.776  -2.107
  403   3HG1  VAL  55          3HG1      VAL  55  -1.602  -5.715  -1.693
  404   1HG2  VAL  55          1HG2      VAL  55  -1.568  -3.390  -4.004
  405   2HG2  VAL  55          2HG2      VAL  55  -0.712  -4.643  -3.074
  406   3HG2  VAL  55          3HG2      VAL  55  -1.214  -4.966  -4.750
  407    H    ASP  56           H        ASP  56  -1.743  -6.425  -6.213
  408    HA   ASP  56           HA       ASP  56  -2.409  -4.215  -7.846
  409   1HB   ASP  56          1HB       ASP  56  -0.109  -5.112  -7.735
  410   2HB   ASP  56          2HB       ASP  56  -0.657  -6.672  -8.315
  411    H    ALA  57           H        ALA  57  -4.320  -4.272  -9.050
  412    HA   ALA  57           HA       ALA  57  -5.327  -6.851  -9.931
  413   1HB   ALA  57          1HB       ALA  57  -6.899  -4.556 -10.745
  414   2HB   ALA  57          2HB       ALA  57  -7.319  -5.862  -9.612
  415   3HB   ALA  57          3HB       ALA  57  -6.461  -4.418  -9.025
  416    H    ASP  58           H        ASP  58  -4.562  -3.584 -11.336
  417    HA   ASP  58           HA       ASP  58  -4.986  -3.926 -13.879
  418   1HB   ASP  58          1HB       ASP  58  -2.262  -2.998 -13.775
  419   2HB   ASP  58          2HB       ASP  58  -3.721  -2.050 -13.982
  420    H    GLY  59           H        GLY  59  -2.403  -5.519 -11.965
  421   1HA   GLY  59          1HA       GLY  59  -1.442  -7.558 -12.442
  422   2HA   GLY  59          2HA       GLY  59  -2.005  -7.461 -14.099
  423    H    ASP  60           H        ASP  60   0.468  -6.313 -11.775
  424    HA   ASP  60           HA       ASP  60   2.305  -6.123 -13.956
  425   1HB   ASP  60          1HB       ASP  60   2.659  -3.746 -12.308
  426   2HB   ASP  60          2HB       ASP  60   2.516  -3.863 -14.051
  427    H    GLY  61           H        GLY  61   1.696  -5.191 -10.481
  428   1HA   GLY  61          1HA       GLY  61   2.745  -6.683  -8.821
  429   2HA   GLY  61          2HA       GLY  61   4.220  -6.559  -9.759
  430    H    THR  62           H        THR  62   1.830  -3.946  -9.026
  431    HA   THR  62           HA       THR  62   3.705  -2.747  -7.150
  432    HB   THR  62           HB       THR  62   2.707  -1.248  -9.624
  433    HG1  THR  62           HG1      THR  62   4.233  -2.776 -10.354
  434   1HG2  THR  62          1HG2      THR  62   3.456   0.473  -8.249
  435   2HG2  THR  62          2HG2      THR  62   4.436  -0.625  -7.248
  436   3HG2  THR  62          3HG2      THR  62   5.047  -0.078  -8.828
  437    H    ILE  63           H        ILE  63   2.734  -0.838  -6.026
  438    HA   ILE  63           HA       ILE  63  -0.118  -1.383  -5.679
  439    HB   ILE  63           HB       ILE  63   1.764   0.123  -3.864
  440   1HG1  ILE  63          1HG1      ILE  63   1.021  -2.812  -3.897
  441   2HG1  ILE  63          2HG1      ILE  63   2.620  -2.115  -4.065
  442   1HG2  ILE  63          1HG2      ILE  63  -1.097  -0.747  -3.694
  443   2HG2  ILE  63          2HG2      ILE  63  -0.111  -0.685  -2.213
  444   3HG2  ILE  63          3HG2      ILE  63  -0.332   0.782  -3.197
  445   1HD1  ILE  63          1HD1      ILE  63   1.789  -0.988  -1.676
  446   2HD1  ILE  63          2HD1      ILE  63   1.019  -2.592  -1.617
  447   3HD1  ILE  63          3HD1      ILE  63   2.783  -2.458  -1.814
  448    H    ASP  64           H        ASP  64  -1.372   0.722  -4.936
  449    HA   ASP  64           HA       ASP  64  -0.447   3.128  -6.054
  450   1HB   ASP  64          1HB       ASP  64  -1.219   1.721  -8.091
  451   2HB   ASP  64          2HB       ASP  64  -2.845   1.872  -7.455
  452    H    PHE  65           H        PHE  65  -2.638   4.682  -6.202
  453    HA   PHE  65           HA       PHE  65  -3.646   4.798  -3.633
  454   1HB   PHE  65          1HB       PHE  65  -3.669   6.262  -6.047
  455   2HB   PHE  65          2HB       PHE  65  -5.360   5.850  -5.847
  456    HD1  PHE  65           HD1      PHE  65  -2.947   6.549  -3.120
  457    HD2  PHE  65           HD2      PHE  65  -6.262   7.967  -5.359
  458    HE1  PHE  65           HE1      PHE  65  -3.220   8.454  -1.510
  459    HE2  PHE  65           HE2      PHE  65  -6.535   9.872  -3.748
  460    HZ   PHE  65           HZ       PHE  65  -5.011  10.093  -1.842
  461    HA   PRO  66           HA       PRO  66  -7.530   2.705  -5.359
  462   1HB   PRO  66          1HB       PRO  66  -7.487   1.562  -7.841
  463   2HB   PRO  66          2HB       PRO  66  -8.094   3.179  -7.540
  464   1HG   PRO  66          1HG       PRO  66  -5.537   2.358  -8.777
  465   2HG   PRO  66          2HG       PRO  66  -6.343   3.913  -8.850
  466   1HD   PRO  66          1HD       PRO  66  -4.068   3.234  -7.242
  467   2HD   PRO  66          2HD       PRO  66  -4.944   4.751  -7.230
  468    H    GLU  67           H        GLU  67  -4.493   1.265  -6.221
  469    HA   GLU  67           HA       GLU  67  -5.420  -1.363  -5.872
  470   1HB   GLU  67          1HB       GLU  67  -2.703  -0.051  -6.079
  471   2HB   GLU  67          2HB       GLU  67  -2.808  -1.736  -5.609
  472   1HG   GLU  67          1HG       GLU  67  -4.073  -2.271  -7.668
  473   2HG   GLU  67          2HG       GLU  67  -4.103  -0.579  -8.123
  474    H    PHE  68           H        PHE  68  -3.245   0.730  -3.831
  475    HA   PHE  68           HA       PHE  68  -3.131  -0.978  -1.670
  476   1HB   PHE  68          1HB       PHE  68  -2.009   1.377  -2.387
  477   2HB   PHE  68          2HB       PHE  68  -3.299   2.057  -1.415
  478    HD1  PHE  68           HD1      PHE  68  -2.103   2.953   0.391
  479    HD2  PHE  68           HD2      PHE  68  -1.431  -1.080  -0.746
  480    HE1  PHE  68           HE1      PHE  68  -0.730   2.598   2.462
  481    HE2  PHE  68           HE2      PHE  68  -0.058  -1.435   1.325
  482    HZ   PHE  68           HZ       PHE  68   0.277   0.408   2.904
  483    H    LEU  69           H        LEU  69  -5.522   1.599  -2.485
  484    HA   LEU  69           HA       LEU  69  -6.880   1.899  -0.206
  485   1HB   LEU  69          1HB       LEU  69  -7.429   2.117  -3.020
  486   2HB   LEU  69          2HB       LEU  69  -8.855   1.530  -2.188
  487    HG   LEU  69           HG       LEU  69  -7.349   4.100  -1.662
  488   1HD1  LEU  69          1HD1      LEU  69 -10.175   4.400  -2.044
  489   2HD1  LEU  69          2HD1      LEU  69  -8.829   5.049  -3.011
  490   3HD1  LEU  69          3HD1      LEU  69  -9.498   3.441  -3.382
  491   1HD2  LEU  69          1HD2      LEU  69  -9.318   2.631   0.042
  492   2HD2  LEU  69          2HD2      LEU  69  -7.903   3.608   0.502
  493   3HD2  LEU  69          3HD2      LEU  69  -9.401   4.408  -0.030
  494    H    THR  70           H        THR  70  -7.332  -0.865  -2.512
  495    HA   THR  70           HA       THR  70  -9.209  -2.175  -0.845
  496    HB   THR  70           HB       THR  70  -7.481  -2.945  -3.240
  497    HG1  THR  70           HG1      THR  70 -10.341  -2.643  -2.646
  498   1HG2  THR  70          1HG2      THR  70  -8.145  -5.133  -3.110
  499   2HG2  THR  70          2HG2      THR  70  -8.567  -4.809  -1.412
  500   3HG2  THR  70          3HG2      THR  70  -9.806  -4.660  -2.681
  501    H    MET  71           H        MET  71  -5.640  -2.343  -1.188
  502    HA   MET  71           HA       MET  71  -5.239  -4.614   0.275
  503   1HB   MET  71          1HB       MET  71  -3.502  -3.294  -1.002
  504   2HB   MET  71          2HB       MET  71  -3.568  -2.038   0.217
  505   1HG   MET  71          1HG       MET  71  -2.681  -3.528   1.928
  506   2HG   MET  71          2HG       MET  71  -2.869  -4.930   0.894
  507   1HE   MET  71          1HE       MET  71  -0.731  -5.948   0.448
  508   2HE   MET  71          2HE       MET  71   0.831  -5.095   0.415
  509   3HE   MET  71          3HE       MET  71  -0.165  -5.073   1.890
  510    H    MET  72           H        MET  72  -5.127  -1.180   1.489
  511    HA   MET  72           HA       MET  72  -4.830  -1.890   4.139
  512   1HB   MET  72          1HB       MET  72  -5.873   0.552   2.648
  513   2HB   MET  72          2HB       MET  72  -5.955   0.527   4.399
  514   1HG   MET  72          1HG       MET  72  -3.371  -0.269   4.105
  515   2HG   MET  72          2HG       MET  72  -3.538   0.631   2.610
  516   1HE   MET  72          1HE       MET  72  -3.678   1.728   6.875
  517   2HE   MET  72          2HE       MET  72  -5.322   2.129   6.323
  518   3HE   MET  72          3HE       MET  72  -4.675   0.489   6.075
  519    H    ALA  73           H        ALA  73  -7.833  -0.758   2.413
  520    HA   ALA  73           HA       ALA  73  -9.616  -1.004   4.437
  521   1HB   ALA  73          1HB       ALA  73  -9.789  -0.345   1.862
  522   2HB   ALA  73          2HB       ALA  73 -10.384  -2.016   1.714
  523   3HB   ALA  73          3HB       ALA  73 -11.224  -0.863   2.779
  524    H    ARG  74           H        ARG  74  -8.761  -3.625   2.061
  525    HA   ARG  74           HA       ARG  74 -10.262  -5.551   3.318
  526   1HB   ARG  74          1HB       ARG  74  -7.781  -5.702   1.551
  527   2HB   ARG  74          2HB       ARG  74  -8.584  -7.153   2.116
  528   1HG   ARG  74          1HG       ARG  74 -10.110  -4.940   0.685
  529   2HG   ARG  74          2HG       ARG  74  -9.297  -6.215  -0.201
  530   1HD   ARG  74          1HD       ARG  74 -10.612  -7.886   1.289
  531   2HD   ARG  74          2HD       ARG  74 -11.572  -6.515   1.807
  532    HE   ARG  74           HE       ARG  74 -12.632  -6.491  -0.283
  533   1HH1  ARG  74          2HH2      ARG  74  -9.692  -8.413  -0.497
  534   2HH1  ARG  74          1HH2      ARG  74 -10.033  -8.989  -2.095
  535   1HH2  ARG  74          2HH1      ARG  74 -13.081  -7.249  -2.391
  536   2HH2  ARG  74          1HH1      ARG  74 -11.973  -8.322  -3.180
  537    H    LYS  75           H        LYS  75  -7.164  -4.114   4.137
  538    HA   LYS  75           HA       LYS  75  -5.977  -6.199   5.530
  539   1HB   LYS  75          1HB       LYS  75  -5.165  -3.781   4.832
  540   2HB   LYS  75          2HB       LYS  75  -5.701  -3.356   6.445
  541   1HG   LYS  75          1HG       LYS  75  -3.819  -5.691   5.873
  542   2HG   LYS  75          2HG       LYS  75  -3.253  -4.078   6.258
  543   1HD   LYS  75          1HD       LYS  75  -3.450  -4.574   8.460
  544   2HD   LYS  75          2HD       LYS  75  -5.187  -4.675   8.253
  545   1HE   LYS  75          1HE       LYS  75  -5.094  -6.902   8.667
  546   2HE   LYS  75          2HE       LYS  75  -4.132  -7.122   7.218
  547   1HZ   LYS  75          1HZ       LYS  75  -3.292  -7.035   9.947
  548   2HZ   LYS  75          2HZ       LYS  75  -2.594  -7.767   8.665
  549   3HZ   LYS  75          3HZ       LYS  75  -2.334  -6.178   8.939
  550    H    MET  76           H        MET  76  -8.057  -3.498   6.796
  551    HA   MET  76           HA       MET  76  -8.161  -4.511   9.364
  552   1HB   MET  76          1HB       MET  76  -9.882  -2.839   9.695
  553   2HB   MET  76          2HB       MET  76  -8.832  -2.176   8.459
  554   1HG   MET  76          1HG       MET  76 -10.658  -1.959   7.124
  555   2HG   MET  76          2HG       MET  76 -10.716  -3.707   7.009
  556   1HE   MET  76          1HE       MET  76 -12.940  -0.638   8.231
  557   2HE   MET  76          2HE       MET  76 -12.933  -1.030   9.968
  558   3HE   MET  76          3HE       MET  76 -11.400  -0.717   9.120
  559    H    LYS  77           H        LYS  77  -9.769  -5.519   6.425
  560    HA   LYS  77           HA       LYS  77 -12.102  -6.597   7.511
  561   1HB   LYS  77          1HB       LYS  77 -11.505  -6.154   5.069
  562   2HB   LYS  77          2HB       LYS  77 -10.607  -7.657   5.105
  563   1HG   LYS  77          1HG       LYS  77 -12.520  -8.971   5.290
  564   2HG   LYS  77          2HG       LYS  77 -13.407  -7.753   6.184
  565   1HD   LYS  77          1HD       LYS  77 -12.821  -6.707   3.546
  566   2HD   LYS  77          2HD       LYS  77 -13.512  -8.307   3.366
  567   1HE   LYS  77          1HE       LYS  77 -14.908  -6.656   5.398
  568   2HE   LYS  77          2HE       LYS  77 -14.958  -5.959   3.791
  569   1HZ   LYS  77          1HZ       LYS  77 -15.856  -8.635   4.583
  570   2HZ   LYS  77          2HZ       LYS  77 -16.761  -7.417   3.981
  571   3HZ   LYS  77          3HZ       LYS  77 -15.690  -8.190   3.021
  572    H    ASP  78           H        ASP  78  -8.988  -8.262   6.632
  573    HA   ASP  78           HA       ASP  78  -9.642 -10.688   7.640
  574   1HB   ASP  78          1HB       ASP  78  -6.986  -9.206   7.515
  575   2HB   ASP  78          2HB       ASP  78  -7.074 -10.863   8.076
  576    H    THR  79           H        THR  79  -7.661  -8.087   9.273
  577    HA   THR  79           HA       THR  79  -7.608  -9.329  11.782
  578    HB   THR  79           HB       THR  79  -6.139  -7.433  10.783
  579    HG1  THR  79           HG1      THR  79  -6.371  -8.230  13.106
  580   1HG2  THR  79          1HG2      THR  79  -6.914  -5.258  10.743
  581   2HG2  THR  79          2HG2      THR  79  -8.518  -6.019  10.622
  582   3HG2  THR  79          3HG2      THR  79  -7.901  -5.492  12.206
  Start of MODEL   14
    1   1H    ALA   1          1H        ALA   1 -18.443   6.881  -0.546
    2    HA   ALA   1           HA       ALA   1 -20.569   5.016  -1.342
    3   1HB   ALA   1          1HB       ALA   1 -17.788   4.568  -0.190
    4   2HB   ALA   1          2HB       ALA   1 -18.997   3.281  -0.415
    5   3HB   ALA   1          3HB       ALA   1 -18.355   4.157  -1.826
    6    H    ASP   2           H        ASP   2 -19.557   7.227   1.045
    7    HA   ASP   2           HA       ASP   2 -19.988   7.509   3.167
    8   1HB   ASP   2          1HB       ASP   2 -22.600   6.116   2.407
    9   2HB   ASP   2          2HB       ASP   2 -22.377   7.116   3.829
   10    H    GLN   3           H        GLN   3 -18.438   5.182   2.829
   11    HA   GLN   3           HA       GLN   3 -19.649   3.391   4.788
   12   1HB   GLN   3          1HB       GLN   3 -18.627   2.809   2.136
   13   2HB   GLN   3          2HB       GLN   3 -17.649   1.969   3.323
   14   1HG   GLN   3          1HG       GLN   3 -20.589   1.855   3.821
   15   2HG   GLN   3          2HG       GLN   3 -20.062   1.045   2.360
   16   1HE2  GLN   3          1HE2      GLN   3 -21.168  -0.216   4.611
   17   2HE2  GLN   3          2HE2      GLN   3 -19.996  -1.282   5.310
   18    H    LEU   4           H        LEU   4 -16.520   4.533   3.335
   19    HA   LEU   4           HA       LEU   4 -15.439   5.257   5.798
   20   1HB   LEU   4          1HB       LEU   4 -14.133   3.539   6.496
   21   2HB   LEU   4          2HB       LEU   4 -15.533   2.662   5.913
   22    HG   LEU   4           HG       LEU   4 -13.201   3.109   4.072
   23   1HD1  LEU   4          1HD1      LEU   4 -13.300   1.230   6.415
   24   2HD1  LEU   4          2HD1      LEU   4 -12.426   0.781   4.930
   25   3HD1  LEU   4          3HD1      LEU   4 -11.963   2.247   5.827
   26   1HD2  LEU   4          1HD2      LEU   4 -14.063   0.642   3.534
   27   2HD2  LEU   4          2HD2      LEU   4 -15.560   1.300   4.238
   28   3HD2  LEU   4          3HD2      LEU   4 -14.812   2.096   2.832
   29    H    THR   5           H        THR   5 -14.924   4.029   2.464
   30    HA   THR   5           HA       THR   5 -12.466   4.870   1.835
   31    HB   THR   5           HB       THR   5 -15.122   5.072   0.348
   32    HG1  THR   5           HG1      THR   5 -13.804   3.264  -0.740
   33   1HG2  THR   5          1HG2      THR   5 -12.505   5.055  -1.134
   34   2HG2  THR   5          2HG2      THR   5 -14.072   5.748  -1.618
   35   3HG2  THR   5          3HG2      THR   5 -13.029   6.620  -0.469
   36    H    GLU   6           H        GLU   6 -15.241   6.991   2.567
   37    HA   GLU   6           HA       GLU   6 -14.090   9.320   1.608
   38   1HB   GLU   6          1HB       GLU   6 -15.753  10.473   3.041
   39   2HB   GLU   6          2HB       GLU   6 -16.477   9.139   2.165
   40   1HG   GLU   6          1HG       GLU   6 -15.981   7.704   4.286
   41   2HG   GLU   6          2HG       GLU   6 -15.684   9.226   5.102
   42    H    GLU   7           H        GLU   7 -14.205   7.971   4.985
   43    HA   GLU   7           HA       GLU   7 -12.497   9.980   5.961
   44   1HB   GLU   7          1HB       GLU   7 -12.391   8.435   7.997
   45   2HB   GLU   7          2HB       GLU   7 -13.993   8.961   7.522
   46   1HG   GLU   7          1HG       GLU   7 -14.531   6.848   6.536
   47   2HG   GLU   7          2HG       GLU   7 -12.851   6.356   6.455
   48    H    GLN   8           H        GLN   8 -12.061   6.653   4.703
   49    HA   GLN   8           HA       GLN   8  -9.440   6.345   5.569
   50   1HB   GLN   8          1HB       GLN   8 -10.790   4.443   4.843
   51   2HB   GLN   8          2HB       GLN   8 -10.953   5.109   3.230
   52   1HG   GLN   8          1HG       GLN   8  -9.127   3.856   2.695
   53   2HG   GLN   8          2HG       GLN   8  -8.192   5.072   3.543
   54   1HE2  GLN   8          1HE2      GLN   8  -8.023   4.800   5.933
   55   2HE2  GLN   8          2HE2      GLN   8  -7.784   3.205   6.564
   56    H    ILE   9           H        ILE   9 -10.792   7.374   2.355
   57    HA   ILE   9           HA       ILE   9  -8.370   7.809   1.104
   58    HB   ILE   9           HB       ILE   9 -11.106   9.012   0.758
   59   1HG1  ILE   9          1HG1      ILE   9 -10.693   6.568   0.289
   60   2HG1  ILE   9          2HG1      ILE   9 -11.345   7.502  -1.043
   61   1HG2  ILE   9          1HG2      ILE   9  -9.476  10.669  -0.006
   62   2HG2  ILE   9          2HG2      ILE   9  -8.692   9.438  -1.025
   63   3HG2  ILE   9          3HG2      ILE   9 -10.362   9.948  -1.371
   64   1HD1  ILE   9          1HD1      ILE   9  -8.388   6.835  -0.663
   65   2HD1  ILE   9          2HD1      ILE   9  -9.496   6.007  -1.784
   66   3HD1  ILE   9          3HD1      ILE   9  -9.089   7.721  -2.039
   67    H    ALA  10           H        ALA  10 -10.209   9.818   3.418
   68    HA   ALA  10           HA       ALA  10  -8.934  12.228   3.036
   69   1HB   ALA  10          1HB       ALA  10 -10.555  10.892   5.072
   70   2HB   ALA  10          2HB       ALA  10  -9.368  12.007   5.792
   71   3HB   ALA  10          3HB       ALA  10 -10.530  12.603   4.582
   72    H    GLU  11           H        GLU  11  -8.048   9.551   5.333
   73    HA   GLU  11           HA       GLU  11  -5.655  10.838   6.052
   74   1HB   GLU  11          1HB       GLU  11  -7.028   8.268   6.645
   75   2HB   GLU  11          2HB       GLU  11  -5.281   8.197   6.760
   76   1HG   GLU  11          1HG       GLU  11  -5.187   9.707   8.535
   77   2HG   GLU  11          2HG       GLU  11  -6.624  10.570   8.026
   78    H    PHE  12           H        PHE  12  -6.500   8.109   3.832
   79    HA   PHE  12           HA       PHE  12  -3.994   7.300   3.133
   80   1HB   PHE  12          1HB       PHE  12  -6.757   7.284   2.120
   81   2HB   PHE  12          2HB       PHE  12  -5.648   7.436   0.771
   82    HD1  PHE  12           HD1      PHE  12  -5.936   5.419   3.909
   83    HD2  PHE  12           HD2      PHE  12  -4.976   5.477  -0.224
   84    HE1  PHE  12           HE1      PHE  12  -5.520   2.945   3.971
   85    HE2  PHE  12           HE2      PHE  12  -4.560   3.003  -0.162
   86    HZ   PHE  12           HZ       PHE  12  -4.836   1.766   1.934
   87    H    LYS  13           H        LYS  13  -5.834  10.166   1.982
   88    HA   LYS  13           HA       LYS  13  -4.334  10.850  -0.197
   89   1HB   LYS  13          1HB       LYS  13  -6.455  11.916   1.010
   90   2HB   LYS  13          2HB       LYS  13  -5.250  13.004   1.668
   91   1HG   LYS  13          1HG       LYS  13  -4.453  13.552  -0.620
   92   2HG   LYS  13          2HG       LYS  13  -5.588  12.408  -1.310
   93   1HD   LYS  13          1HD       LYS  13  -6.797  14.436   0.520
   94   2HD   LYS  13          2HD       LYS  13  -6.115  15.086  -0.958
   95   1HE   LYS  13          1HE       LYS  13  -7.575  13.826  -2.347
   96   2HE   LYS  13          2HE       LYS  13  -7.916  12.650  -1.093
   97   1HZ   LYS  13          1HZ       LYS  13  -8.814  15.447  -1.126
   98   2HZ   LYS  13          2HZ       LYS  13  -9.747  14.123  -1.336
   99   3HZ   LYS  13          3HZ       LYS  13  -9.063  14.417   0.117
  100    H    GLU  14           H        GLU  14  -3.805  12.033   3.204
  101    HA   GLU  14           HA       GLU  14  -1.313  13.127   2.503
  102   1HB   GLU  14          1HB       GLU  14  -2.899  12.740   5.018
  103   2HB   GLU  14          2HB       GLU  14  -1.177  13.004   5.209
  104   1HG   GLU  14          1HG       GLU  14  -1.389  15.214   4.733
  105   2HG   GLU  14          2HG       GLU  14  -2.226  14.868   3.232
  106    H    ALA  15           H        ALA  15  -2.431  10.017   3.873
  107    HA   ALA  15           HA       ALA  15  -0.038   9.054   4.847
  108   1HB   ALA  15          1HB       ALA  15  -2.513   8.133   4.842
  109   2HB   ALA  15          2HB       ALA  15  -1.975   7.270   3.381
  110   3HB   ALA  15          3HB       ALA  15  -1.140   7.004   4.931
  111    H    PHE  16           H        PHE  16  -1.437   8.804   1.507
  112    HA   PHE  16           HA       PHE  16   0.311   7.268   0.246
  113   1HB   PHE  16          1HB       PHE  16  -1.453   8.403  -0.968
  114   2HB   PHE  16          2HB       PHE  16  -0.934   9.980  -0.408
  115    HD1  PHE  16           HD1      PHE  16  -0.026   7.198  -2.679
  116    HD2  PHE  16           HD2      PHE  16   0.576  11.276  -1.671
  117    HE1  PHE  16           HE1      PHE  16   1.254   7.536  -4.811
  118    HE2  PHE  16           HE2      PHE  16   1.856  11.614  -3.804
  119    HZ   PHE  16           HZ       PHE  16   2.180   9.740  -5.348
  120    H    SER  17           H        SER  17   0.889  10.804   0.873
  121    HA   SER  17           HA       SER  17   3.213  11.176  -0.309
  122   1HB   SER  17          1HB       SER  17   2.109  12.907   1.020
  123   2HB   SER  17          2HB       SER  17   2.438  12.044   2.509
  124    HG   SER  17           HG       SER  17   4.010  13.659   2.320
  125    H    LEU  18           H        LEU  18   2.783   9.593   2.928
  126    HA   LEU  18           HA       LEU  18   5.556   9.104   3.253
  127   1HB   LEU  18          1HB       LEU  18   3.043   8.208   4.628
  128   2HB   LEU  18          2HB       LEU  18   4.583   7.470   5.022
  129    HG   LEU  18           HG       LEU  18   3.948  10.426   5.242
  130   1HD1  LEU  18          1HD1      LEU  18   2.716   9.112   6.887
  131   2HD1  LEU  18          2HD1      LEU  18   4.223   8.318   7.402
  132   3HD1  LEU  18          3HD1      LEU  18   4.003  10.064   7.666
  133   1HD2  LEU  18          1HD2      LEU  18   6.464   8.935   5.309
  134   2HD2  LEU  18          2HD2      LEU  18   6.162  10.682   5.150
  135   3HD2  LEU  18          3HD2      LEU  18   6.195   9.927   6.762
  136    H    PHE  19           H        PHE  19   2.757   6.883   2.565
  137    HA   PHE  19           HA       PHE  19   4.091   4.593   2.150
  138   1HB   PHE  19          1HB       PHE  19   1.839   5.908   0.516
  139   2HB   PHE  19          2HB       PHE  19   2.220   4.201   0.401
  140    HD1  PHE  19           HD1      PHE  19  -0.368   5.744   1.345
  141    HD2  PHE  19           HD2      PHE  19   2.782   3.741   3.364
  142    HE1  PHE  19           HE1      PHE  19  -1.904   5.270   3.272
  143    HE2  PHE  19           HE2      PHE  19   1.245   3.267   5.291
  144    HZ   PHE  19           HZ       PHE  19  -1.079   4.037   5.222
  145    H    ASP  20           H        ASP  20   3.435   7.071  -0.435
  146    HA   ASP  20           HA       ASP  20   4.996   5.687  -2.305
  147   1HB   ASP  20          1HB       ASP  20   3.121   7.506  -2.618
  148   2HB   ASP  20          2HB       ASP  20   4.412   8.669  -2.392
  149    H    LYS  21           H        LYS  21   7.184   5.401  -1.664
  150    HA   LYS  21           HA       LYS  21   8.606   7.509  -0.362
  151   1HB   LYS  21          1HB       LYS  21   9.743   4.967  -1.546
  152   2HB   LYS  21          2HB       LYS  21  10.426   5.962  -0.275
  153   1HG   LYS  21          1HG       LYS  21   7.765   4.473  -0.063
  154   2HG   LYS  21          2HG       LYS  21   9.283   3.889   0.590
  155   1HD   LYS  21          1HD       LYS  21   9.437   5.744   2.147
  156   2HD   LYS  21          2HD       LYS  21   8.136   6.609   1.352
  157   1HE   LYS  21          1HE       LYS  21   6.511   4.867   2.035
  158   2HE   LYS  21          2HE       LYS  21   7.796   3.909   2.743
  159   1HZ   LYS  21          1HZ       LYS  21   8.241   5.823   4.208
  160   2HZ   LYS  21          2HZ       LYS  21   6.910   6.566   3.621
  161   3HZ   LYS  21          3HZ       LYS  21   6.767   5.159   4.438
  162    H    ASP  22           H        ASP  22   8.801   5.893  -3.609
  163    HA   ASP  22           HA       ASP  22  10.792   7.438  -4.619
  164   1HB   ASP  22          1HB       ASP  22  10.092   5.590  -5.927
  165   2HB   ASP  22          2HB       ASP  22   8.401   6.037  -5.832
  166    H    GLY  23           H        GLY  23   7.188   7.857  -5.044
  167   1HA   GLY  23          1HA       GLY  23   6.079   9.905  -4.785
  168   2HA   GLY  23          2HA       GLY  23   7.571  10.769  -5.100
  169    H    ASP  24           H        ASP  24   6.336   7.973  -7.003
  170    HA   ASP  24           HA       ASP  24   6.249   9.775  -9.279
  171   1HB   ASP  24          1HB       ASP  24   6.345   7.670 -10.636
  172   2HB   ASP  24          2HB       ASP  24   7.725   7.852  -9.571
  173    H    GLY  25           H        GLY  25   4.314   8.086  -6.987
  174   1HA   GLY  25          1HA       GLY  25   1.959   8.521  -6.997
  175   2HA   GLY  25          2HA       GLY  25   1.946   8.315  -8.737
  176    H    THR  26           H        THR  26   4.113   6.078  -7.298
  177    HA   THR  26           HA       THR  26   2.018   4.058  -6.956
  178    HB   THR  26           HB       THR  26   3.735   2.557  -8.314
  179    HG1  THR  26           HG1      THR  26   5.223   3.821  -9.405
  180   1HG2  THR  26          1HG2      THR  26   2.071   4.737  -9.682
  181   2HG2  THR  26          2HG2      THR  26   2.752   3.315 -10.508
  182   3HG2  THR  26          3HG2      THR  26   1.504   3.105  -9.256
  183    H    ILE  27           H        ILE  27   2.525   2.362  -5.531
  184    HA   ILE  27           HA       ILE  27   4.866   2.982  -3.876
  185    HB   ILE  27           HB       ILE  27   2.178   1.783  -3.268
  186   1HG1  ILE  27          1HG1      ILE  27   2.256   3.558  -1.475
  187   2HG1  ILE  27          2HG1      ILE  27   3.725   4.164  -2.213
  188   1HG2  ILE  27          1HG2      ILE  27   4.169   1.933  -1.080
  189   2HG2  ILE  27          2HG2      ILE  27   2.863   0.761  -1.377
  190   3HG2  ILE  27          3HG2      ILE  27   4.398   0.627  -2.268
  191   1HD1  ILE  27          1HD1      ILE  27   2.619   4.818  -4.206
  192   2HD1  ILE  27          2HD1      ILE  27   1.231   3.748  -3.892
  193   3HD1  ILE  27          3HD1      ILE  27   1.449   5.229  -2.929
  194    H    THR  28           H        THR  28   6.417   1.859  -5.141
  195    HA   THR  28           HA       THR  28   6.098  -0.678  -6.192
  196    HB   THR  28           HB       THR  28   8.539   0.819  -5.106
  197    HG1  THR  28           HG1      THR  28   8.249   1.786  -7.078
  198   1HG2  THR  28          1HG2      THR  28   8.306  -1.645  -6.910
  199   2HG2  THR  28          2HG2      THR  28   9.767  -0.632  -6.810
  200   3HG2  THR  28          3HG2      THR  28   9.204  -1.526  -5.377
  201    H    THR  29           H        THR  29   6.725  -2.785  -5.519
  202    HA   THR  29           HA       THR  29   5.741  -3.646  -3.166
  203    HB   THR  29           HB       THR  29   7.108  -5.667  -3.583
  204    HG1  THR  29           HG1      THR  29   8.791  -5.253  -5.364
  205   1HG2  THR  29          1HG2      THR  29   6.406  -6.152  -5.772
  206   2HG2  THR  29          2HG2      THR  29   5.354  -4.761  -5.414
  207   3HG2  THR  29          3HG2      THR  29   6.836  -4.533  -6.373
  208    H    LYS  30           H        LYS  30   9.124  -2.505  -3.707
  209    HA   LYS  30           HA       LYS  30   9.917  -3.032  -1.056
  210   1HB   LYS  30          1HB       LYS  30  11.907  -1.788  -1.625
  211   2HB   LYS  30          2HB       LYS  30  11.471  -2.838  -2.959
  212   1HG   LYS  30          1HG       LYS  30  10.114  -0.659  -3.772
  213   2HG   LYS  30          2HG       LYS  30  11.288   0.167  -2.768
  214   1HD   LYS  30          1HD       LYS  30  12.772  -1.748  -4.276
  215   2HD   LYS  30          2HD       LYS  30  11.649  -1.020  -5.407
  216   1HE   LYS  30          1HE       LYS  30  12.461   1.210  -4.939
  217   2HE   LYS  30          2HE       LYS  30  13.334   0.674  -3.517
  218   1HZ   LYS  30          1HZ       LYS  30  14.067  -0.677  -5.931
  219   2HZ   LYS  30          2HZ       LYS  30  14.410   0.920  -5.929
  220   3HZ   LYS  30          3HZ       LYS  30  15.015  -0.047  -4.760
  221    H    GLU  31           H        GLU  31   8.543  -0.162  -2.741
  222    HA   GLU  31           HA       GLU  31   8.909   1.645  -0.720
  223   1HB   GLU  31          1HB       GLU  31   6.766   1.378  -2.857
  224   2HB   GLU  31          2HB       GLU  31   6.787   2.739  -1.753
  225   1HG   GLU  31          1HG       GLU  31   9.105   3.307  -2.470
  226   2HG   GLU  31          2HG       GLU  31   9.125   1.923  -3.544
  227    H    LEU  32           H        LEU  32   6.551  -0.991  -1.067
  228    HA   LEU  32           HA       LEU  32   4.732  -0.063   0.873
  229   1HB   LEU  32          1HB       LEU  32   4.192  -1.700  -0.860
  230   2HB   LEU  32          2HB       LEU  32   5.303  -2.850  -0.144
  231    HG   LEU  32           HG       LEU  32   2.762  -1.785   1.118
  232   1HD1  LEU  32          1HD1      LEU  32   2.394  -4.438   0.991
  233   2HD1  LEU  32          2HD1      LEU  32   1.910  -3.323  -0.310
  234   3HD1  LEU  32          3HD1      LEU  32   3.439  -4.226  -0.434
  235   1HD2  LEU  32          1HD2      LEU  32   3.961  -2.152   3.015
  236   2HD2  LEU  32          2HD2      LEU  32   3.397  -3.815   2.722
  237   3HD2  LEU  32          3HD2      LEU  32   5.043  -3.336   2.243
  238    H    GLY  33           H        GLY  33   7.570  -2.306   0.991
  239   1HA   GLY  33          1HA       GLY  33   7.316  -2.871   3.758
  240   2HA   GLY  33          2HA       GLY  33   8.715  -3.148   2.739
  241    H    THR  34           H        THR  34   8.494  -0.102   1.950
  242    HA   THR  34           HA       THR  34  10.457   0.792   3.755
  243    HB   THR  34           HB       THR  34   8.651   2.365   1.843
  244    HG1  THR  34           HG1      THR  34  11.314   1.205   1.495
  245   1HG2  THR  34          1HG2      THR  34   9.961   3.996   2.981
  246   2HG2  THR  34          2HG2      THR  34  11.330   2.878   3.190
  247   3HG2  THR  34          3HG2      THR  34  10.987   3.575   1.589
  248    H    VAL  35           H        VAL  35   6.930   1.557   3.480
  249    HA   VAL  35           HA       VAL  35   7.017   3.247   5.763
  250    HB   VAL  35           HB       VAL  35   5.406   3.183   3.729
  251   1HG1  VAL  35          1HG1      VAL  35   3.288   1.983   4.174
  252   2HG1  VAL  35          2HG1      VAL  35   4.663   0.873   3.959
  253   3HG1  VAL  35          3HG1      VAL  35   4.039   1.211   5.591
  254   1HG2  VAL  35          1HG2      VAL  35   3.493   3.967   5.370
  255   2HG2  VAL  35          2HG2      VAL  35   4.774   3.806   6.596
  256   3HG2  VAL  35          3HG2      VAL  35   4.999   4.903   5.212
  257    H    MET  36           H        MET  36   5.855  -0.127   5.117
  258    HA   MET  36           HA       MET  36   4.813  -0.754   7.482
  259   1HB   MET  36          1HB       MET  36   6.705  -2.368   5.693
  260   2HB   MET  36          2HB       MET  36   5.839  -3.104   7.026
  261   1HG   MET  36          1HG       MET  36   4.389  -1.527   4.858
  262   2HG   MET  36          2HG       MET  36   4.738  -3.234   4.674
  263   1HE   MET  36          1HE       MET  36   1.334  -1.374   6.883
  264   2HE   MET  36          2HE       MET  36   2.834  -0.489   6.517
  265   3HE   MET  36          3HE       MET  36   1.891  -1.224   5.199
  266    H    ARG  37           H        ARG  37   8.346  -1.161   6.691
  267    HA   ARG  37           HA       ARG  37   9.030  -1.881   9.270
  268   1HB   ARG  37          1HB       ARG  37  11.384  -1.317   8.523
  269   2HB   ARG  37          2HB       ARG  37  10.525  -2.349   7.397
  270   1HG   ARG  37          1HG       ARG  37  11.221  -0.806   5.846
  271   2HG   ARG  37          2HG       ARG  37   9.811   0.084   6.387
  272   1HD   ARG  37          1HD       ARG  37  11.082   1.565   7.722
  273   2HD   ARG  37          2HD       ARG  37  12.413   0.438   7.893
  274    HE   ARG  37           HE       ARG  37  12.317   0.971   5.155
  275   1HH1  ARG  37          2HH2      ARG  37  12.648   2.916   8.069
  276   2HH1  ARG  37          1HH2      ARG  37  13.578   4.153   7.291
  277   1HH2  ARG  37          2HH1      ARG  37  13.543   2.604   4.128
  278   2HH2  ARG  37          1HH1      ARG  37  14.090   3.975   5.035
  279    H    SER  38           H        SER  38   8.648   1.271   7.638
  280    HA   SER  38           HA       SER  38  10.082   2.863   9.319
  281   1HB   SER  38          1HB       SER  38   8.451   3.264   7.156
  282   2HB   SER  38          2HB       SER  38   7.437   3.926   8.422
  283    HG   SER  38           HG       SER  38  10.197   4.680   7.961
  284    H    LEU  39           H        LEU  39   7.085   1.108   9.876
  285    HA   LEU  39           HA       LEU  39   6.265   2.736  12.091
  286   1HB   LEU  39          1HB       LEU  39   5.319   0.091  10.990
  287   2HB   LEU  39          2HB       LEU  39   4.614   0.860  12.398
  288    HG   LEU  39           HG       LEU  39   4.760   2.212   9.695
  289   1HD1  LEU  39          1HD1      LEU  39   3.445  -0.051   9.869
  290   2HD1  LEU  39          2HD1      LEU  39   2.238   0.951  10.708
  291   3HD1  LEU  39          3HD1      LEU  39   2.729   1.355   9.046
  292   1HD2  LEU  39          1HD2      LEU  39   3.034   3.672  10.585
  293   2HD2  LEU  39          2HD2      LEU  39   3.022   2.765  12.116
  294   3HD2  LEU  39          3HD2      LEU  39   4.467   3.690  11.641
  295    H    GLY  40           H        GLY  40   7.428  -0.694  11.741
  296   1HA   GLY  40          1HA       GLY  40   9.450  -0.864  13.411
  297   2HA   GLY  40          2HA       GLY  40   8.154  -0.680  14.575
  298    H    GLN  41           H        GLN  41   8.640  -2.505  11.458
  299    HA   GLN  41           HA       GLN  41   7.827  -4.880  12.936
  300   1HB   GLN  41          1HB       GLN  41   6.671  -3.733  10.420
  301   2HB   GLN  41          2HB       GLN  41   6.865  -5.474  10.464
  302   1HG   GLN  41          1HG       GLN  41   5.614  -4.095  12.848
  303   2HG   GLN  41          2HG       GLN  41   4.647  -4.317  11.403
  304   1HE2  GLN  41          1HE2      GLN  41   3.495  -6.077  11.338
  305   2HE2  GLN  41          2HE2      GLN  41   3.841  -7.595  12.095
  306    H    ASN  42           H        ASN  42   9.530  -3.431  10.113
  307    HA   ASN  42           HA       ASN  42  11.301  -4.029   9.016
  308   1HB   ASN  42          1HB       ASN  42  11.866  -4.847  11.648
  309   2HB   ASN  42          2HB       ASN  42  12.224  -6.283  10.710
  310   1HD2  ASN  42          1HD2      ASN  42  12.562  -2.760  10.262
  311   2HD2  ASN  42          2HD2      ASN  42  14.229  -2.759   9.790
  312    HA   PRO  43           HA       PRO  43   9.091  -7.930   7.800
  313   1HB   PRO  43          1HB       PRO  43   7.539  -6.985   5.759
  314   2HB   PRO  43          2HB       PRO  43   6.945  -7.200   7.394
  315   1HG   PRO  43          1HG       PRO  43   7.658  -4.695   5.994
  316   2HG   PRO  43          2HG       PRO  43   6.683  -4.909   7.435
  317   1HD   PRO  43          1HD       PRO  43   9.400  -3.995   7.321
  318   2HD   PRO  43          2HD       PRO  43   8.463  -4.319   8.766
  319    H    THR  44           H        THR  44   8.828  -8.867   5.382
  320    HA   THR  44           HA       THR  44  11.401  -8.135   4.145
  321    HB   THR  44           HB       THR  44  11.040 -10.627   3.257
  322    HG1  THR  44           HG1      THR  44   8.832 -10.526   4.321
  323   1HG2  THR  44          1HG2      THR  44  11.533 -11.050   6.076
  324   2HG2  THR  44          2HG2      THR  44  12.716 -11.055   4.747
  325   3HG2  THR  44          3HG2      THR  44  12.337  -9.537   5.594
  326    H    GLU  45           H        GLU  45  11.523  -7.742   1.956
  327    HA   GLU  45           HA       GLU  45   9.162  -6.801   0.805
  328   1HB   GLU  45          1HB       GLU  45  10.570  -6.378  -1.186
  329   2HB   GLU  45          2HB       GLU  45  11.374  -5.853   0.280
  330   1HG   GLU  45          1HG       GLU  45  12.099  -8.596  -0.084
  331   2HG   GLU  45          2HG       GLU  45  12.236  -7.844  -1.661
  332    H    ALA  46           H        ALA  46  10.600  -9.960   0.998
  333    HA   ALA  46           HA       ALA  46   9.620 -10.999  -1.444
  334   1HB   ALA  46          1HB       ALA  46  10.944 -12.685  -0.778
  335   2HB   ALA  46          2HB       ALA  46  11.215 -11.837   0.763
  336   3HB   ALA  46          3HB       ALA  46   9.879 -13.003   0.613
  337    H    GLU  47           H        GLU  47   8.494 -11.380   1.997
  338    HA   GLU  47           HA       GLU  47   6.185 -12.712   1.344
  339   1HB   GLU  47          1HB       GLU  47   6.962 -10.973   3.709
  340   2HB   GLU  47          2HB       GLU  47   5.391 -11.747   3.634
  341   1HG   GLU  47          1HG       GLU  47   7.652 -13.567   2.992
  342   2HG   GLU  47          2HG       GLU  47   7.707 -12.923   4.621
  343    H    LEU  48           H        LEU  48   6.931  -9.210   1.464
  344    HA   LEU  48           HA       LEU  48   4.230  -8.383   1.221
  345   1HB   LEU  48          1HB       LEU  48   6.918  -7.084   1.004
  346   2HB   LEU  48          2HB       LEU  48   5.497  -6.224   0.444
  347    HG   LEU  48           HG       LEU  48   5.930  -5.511   2.667
  348   1HD1  LEU  48          1HD1      LEU  48   3.840  -5.721   3.579
  349   2HD1  LEU  48          2HD1      LEU  48   3.518  -6.267   1.916
  350   3HD1  LEU  48          3HD1      LEU  48   3.729  -7.461   3.220
  351   1HD2  LEU  48          1HD2      LEU  48   5.757  -7.405   4.519
  352   2HD2  LEU  48          2HD2      LEU  48   6.395  -8.410   3.196
  353   3HD2  LEU  48          3HD2      LEU  48   7.301  -6.979   3.743
  354    H    GLN  49           H        GLN  49   6.736  -9.504  -0.998
  355    HA   GLN  49           HA       GLN  49   5.771  -8.323  -3.303
  356   1HB   GLN  49          1HB       GLN  49   7.989  -9.544  -2.951
  357   2HB   GLN  49          2HB       GLN  49   7.111 -11.053  -3.103
  358   1HG   GLN  49          1HG       GLN  49   6.368 -10.452  -5.376
  359   2HG   GLN  49          2HG       GLN  49   7.083  -8.859  -5.227
  360   1HE2  GLN  49          1HE2      GLN  49   7.502 -11.941  -6.349
  361   2HE2  GLN  49          2HE2      GLN  49   9.221 -11.985  -6.559
  362    H    ASP  50           H        ASP  50   4.759 -11.223  -1.485
  363    HA   ASP  50           HA       ASP  50   3.183 -12.270  -3.555
  364   1HB   ASP  50          1HB       ASP  50   4.077 -13.454  -1.442
  365   2HB   ASP  50          2HB       ASP  50   2.790 -12.661  -0.556
  366    H    MET  51           H        MET  51   2.740  -9.944  -0.867
  367    HA   MET  51           HA       MET  51  -0.066  -9.923  -0.975
  368   1HB   MET  51          1HB       MET  51   2.028  -7.952   0.087
  369   2HB   MET  51          2HB       MET  51   0.308  -7.713   0.327
  370   1HG   MET  51          1HG       MET  51   0.953 -10.434   1.080
  371   2HG   MET  51          2HG       MET  51   2.099  -9.364   1.863
  372   1HE   MET  51          1HE       MET  51  -1.806 -10.483   3.248
  373   2HE   MET  51          2HE       MET  51  -0.530 -11.253   2.275
  374   3HE   MET  51          3HE       MET  51  -0.224 -10.843   3.980
  375    H    ILE  52           H        ILE  52   2.468  -7.612  -2.189
  376    HA   ILE  52           HA       ILE  52   0.778  -5.796  -3.357
  377    HB   ILE  52           HB       ILE  52   2.715  -5.276  -4.827
  378   1HG1  ILE  52          1HG1      ILE  52   4.859  -6.603  -3.984
  379   2HG1  ILE  52          2HG1      ILE  52   3.688  -7.878  -3.713
  380   1HG2  ILE  52          1HG2      ILE  52   4.316  -4.960  -2.746
  381   2HG2  ILE  52          2HG2      ILE  52   2.802  -4.038  -2.908
  382   3HG2  ILE  52          3HG2      ILE  52   2.865  -5.467  -1.849
  383   1HD1  ILE  52          1HD1      ILE  52   4.543  -6.599  -6.299
  384   2HD1  ILE  52          2HD1      ILE  52   4.238  -8.313  -5.930
  385   3HD1  ILE  52          3HD1      ILE  52   2.872  -7.199  -6.176
  386    H    ASN  53           H        ASN  53   1.729  -9.051  -4.423
  387    HA   ASN  53           HA       ASN  53   0.990  -8.778  -7.072
  388   1HB   ASN  53          1HB       ASN  53   2.046 -10.795  -5.487
  389   2HB   ASN  53          2HB       ASN  53   0.433 -11.416  -5.777
  390   1HD2  ASN  53          1HD2      ASN  53   3.376 -11.810  -6.782
  391   2HD2  ASN  53          2HD2      ASN  53   3.197 -12.048  -8.489
  392    H    GLU  54           H        GLU  54  -0.808  -9.415  -4.043
  393    HA   GLU  54           HA       GLU  54  -3.167 -10.269  -5.322
  394   1HB   GLU  54          1HB       GLU  54  -2.562 -10.845  -2.967
  395   2HB   GLU  54          2HB       GLU  54  -2.749  -9.164  -2.509
  396   1HG   GLU  54          1HG       GLU  54  -4.924  -9.670  -2.072
  397   2HG   GLU  54          2HG       GLU  54  -5.158  -9.680  -3.809
  398    H    VAL  55           H        VAL  55  -2.332  -7.207  -3.531
  399    HA   VAL  55           HA       VAL  55  -4.619  -5.821  -4.141
  400    HB   VAL  55           HB       VAL  55  -3.452  -3.902  -3.475
  401   1HG1  VAL  55          1HG1      VAL  55  -1.806  -6.028  -2.103
  402   2HG1  VAL  55          2HG1      VAL  55  -2.511  -4.538  -1.430
  403   3HG1  VAL  55          3HG1      VAL  55  -3.564  -5.913  -1.844
  404   1HG2  VAL  55          1HG2      VAL  55  -0.904  -5.307  -4.341
  405   2HG2  VAL  55          2HG2      VAL  55  -1.652  -3.870  -5.078
  406   3HG2  VAL  55          3HG2      VAL  55  -0.952  -3.770  -3.445
  407    H    ASP  56           H        ASP  56  -1.607  -6.261  -6.068
  408    HA   ASP  56           HA       ASP  56  -1.949  -4.444  -7.989
  409   1HB   ASP  56          1HB       ASP  56  -0.080  -6.077  -7.886
  410   2HB   ASP  56          2HB       ASP  56  -1.165  -7.375  -8.343
  411    H    ALA  57           H        ALA  57  -3.926  -3.947  -8.984
  412    HA   ALA  57           HA       ALA  57  -5.627  -6.191  -9.790
  413   1HB   ALA  57          1HB       ALA  57  -7.341  -4.325 -10.035
  414   2HB   ALA  57          2HB       ALA  57  -6.762  -4.618  -8.377
  415   3HB   ALA  57          3HB       ALA  57  -6.138  -3.234  -9.306
  416    H    ASP  58           H        ASP  58  -4.462  -2.957 -10.987
  417    HA   ASP  58           HA       ASP  58  -5.282  -3.180 -13.536
  418   1HB   ASP  58          1HB       ASP  58  -3.764  -1.452 -14.026
  419   2HB   ASP  58          2HB       ASP  58  -3.949  -1.300 -12.291
  420    H    GLY  59           H        GLY  59  -2.541  -4.762 -11.877
  421   1HA   GLY  59          1HA       GLY  59  -1.693  -6.827 -12.626
  422   2HA   GLY  59          2HA       GLY  59  -2.059  -6.387 -14.282
  423    H    ASP  60           H        ASP  60   0.441  -6.771 -12.094
  424    HA   ASP  60           HA       ASP  60   2.416  -6.042 -13.720
  425   1HB   ASP  60          1HB       ASP  60   3.187  -3.823 -12.616
  426   2HB   ASP  60          2HB       ASP  60   1.904  -3.732 -13.806
  427    H    GLY  61           H        GLY  61   1.465  -5.137 -10.311
  428   1HA   GLY  61          1HA       GLY  61   2.244  -6.933  -8.685
  429   2HA   GLY  61          2HA       GLY  61   3.838  -6.589  -9.325
  430    H    THR  62           H        THR  62   2.999  -3.638  -9.744
  431    HA   THR  62           HA       THR  62   3.844  -2.770  -7.134
  432    HB   THR  62           HB       THR  62   3.120  -1.291  -9.719
  433    HG1  THR  62           HG1      THR  62   5.482  -1.379  -9.874
  434   1HG2  THR  62          1HG2      THR  62   4.363  -0.426  -7.079
  435   2HG2  THR  62          2HG2      THR  62   4.835   0.369  -8.600
  436   3HG2  THR  62          3HG2      THR  62   3.140   0.421  -8.056
  437    H    ILE  63           H        ILE  63   2.700  -0.753  -6.176
  438    HA   ILE  63           HA       ILE  63  -0.130  -1.484  -5.991
  439    HB   ILE  63           HB       ILE  63   1.509   0.145  -4.055
  440   1HG1  ILE  63          1HG1      ILE  63   1.015  -2.842  -4.125
  441   2HG1  ILE  63          2HG1      ILE  63   2.559  -2.016  -4.193
  442   1HG2  ILE  63          1HG2      ILE  63  -1.258  -1.032  -4.032
  443   2HG2  ILE  63          2HG2      ILE  63  -0.376  -0.740  -2.514
  444   3HG2  ILE  63          3HG2      ILE  63  -0.721   0.613  -3.617
  445   1HD1  ILE  63          1HD1      ILE  63   2.605  -2.338  -1.935
  446   2HD1  ILE  63          2HD1      ILE  63   1.479  -0.961  -1.869
  447   3HD1  ILE  63          3HD1      ILE  63   0.850  -2.626  -1.852
  448    H    ASP  64           H        ASP  64  -1.555   0.542  -5.377
  449    HA   ASP  64           HA       ASP  64  -0.624   2.916  -6.688
  450   1HB   ASP  64          1HB       ASP  64  -1.914   1.157  -8.296
  451   2HB   ASP  64          2HB       ASP  64  -3.322   1.916  -7.580
  452    H    PHE  65           H        PHE  65  -2.221   4.757  -6.275
  453    HA   PHE  65           HA       PHE  65  -3.059   4.881  -3.694
  454   1HB   PHE  65          1HB       PHE  65  -3.158   6.392  -6.134
  455   2HB   PHE  65          2HB       PHE  65  -4.813   6.356  -5.561
  456    HD1  PHE  65           HD1      PHE  65  -4.513   6.491  -2.659
  457    HD2  PHE  65           HD2      PHE  65  -2.351   8.516  -5.697
  458    HE1  PHE  65           HE1      PHE  65  -3.998   8.350  -1.053
  459    HE2  PHE  65           HE2      PHE  65  -1.835  10.375  -4.091
  460    HZ   PHE  65           HZ       PHE  65  -2.665  10.269  -1.789
  461    HA   PRO  66           HA       PRO  66  -7.385   3.553  -5.090
  462   1HB   PRO  66          1HB       PRO  66  -7.778   2.568  -7.609
  463   2HB   PRO  66          2HB       PRO  66  -8.069   4.241  -7.178
  464   1HG   PRO  66          1HG       PRO  66  -5.821   3.086  -8.711
  465   2HG   PRO  66          2HG       PRO  66  -6.355   4.754  -8.633
  466   1HD   PRO  66          1HD       PRO  66  -4.082   3.614  -7.304
  467   2HD   PRO  66          2HD       PRO  66  -4.684   5.252  -7.135
  468    H    GLU  67           H        GLU  67  -4.709   1.701  -6.268
  469    HA   GLU  67           HA       GLU  67  -6.020  -0.765  -5.995
  470   1HB   GLU  67          1HB       GLU  67  -3.165   0.140  -6.351
  471   2HB   GLU  67          2HB       GLU  67  -3.460  -1.525  -5.890
  472   1HG   GLU  67          1HG       GLU  67  -5.086  -1.695  -7.856
  473   2HG   GLU  67          2HG       GLU  67  -4.565  -0.097  -8.353
  474    H    PHE  68           H        PHE  68  -3.549   0.954  -3.952
  475    HA   PHE  68           HA       PHE  68  -3.467  -0.903  -1.916
  476   1HB   PHE  68          1HB       PHE  68  -2.184   1.388  -2.525
  477   2HB   PHE  68          2HB       PHE  68  -3.388   2.120  -1.483
  478    HD1  PHE  68           HD1      PHE  68  -2.162   2.796   0.380
  479    HD2  PHE  68           HD2      PHE  68  -1.682  -1.161  -1.074
  480    HE1  PHE  68           HE1      PHE  68  -0.770   2.226   2.389
  481    HE2  PHE  68           HE2      PHE  68  -0.290  -1.731   0.935
  482    HZ   PHE  68           HZ       PHE  68   0.149  -0.030   2.643
  483    H    LEU  69           H        LEU  69  -5.677   1.907  -2.424
  484    HA   LEU  69           HA       LEU  69  -6.903   2.107  -0.049
  485   1HB   LEU  69          1HB       LEU  69  -8.319   3.383  -1.168
  486   2HB   LEU  69          2HB       LEU  69  -7.352   3.009  -2.581
  487    HG   LEU  69           HG       LEU  69  -8.939   1.011  -2.932
  488   1HD1  LEU  69          1HD1      LEU  69 -10.194   0.711  -1.048
  489   2HD1  LEU  69          2HD1      LEU  69 -10.302   2.453  -0.699
  490   3HD1  LEU  69          3HD1      LEU  69 -11.301   1.740  -1.988
  491   1HD2  LEU  69          1HD2      LEU  69 -10.740   2.637  -3.875
  492   2HD2  LEU  69          2HD2      LEU  69  -9.607   3.909  -3.358
  493   3HD2  LEU  69          3HD2      LEU  69  -9.086   2.675  -4.531
  494    H    THR  70           H        THR  70  -7.357  -0.507  -2.476
  495    HA   THR  70           HA       THR  70  -9.462  -1.759  -1.023
  496    HB   THR  70           HB       THR  70  -7.592  -2.589  -3.297
  497    HG1  THR  70           HG1      THR  70  -9.401  -0.882  -3.381
  498   1HG2  THR  70          1HG2      THR  70  -9.936  -4.129  -3.416
  499   2HG2  THR  70          2HG2      THR  70  -8.330  -4.734  -2.943
  500   3HG2  THR  70          3HG2      THR  70  -9.484  -4.205  -1.696
  501    H    MET  71           H        MET  71  -5.893  -2.215  -1.212
  502    HA   MET  71           HA       MET  71  -5.655  -4.523   0.134
  503   1HB   MET  71          1HB       MET  71  -3.776  -3.146  -0.804
  504   2HB   MET  71          2HB       MET  71  -3.994  -1.963   0.470
  505   1HG   MET  71          1HG       MET  71  -2.112  -3.520   0.979
  506   2HG   MET  71          2HG       MET  71  -3.375  -3.626   2.188
  507   1HE   MET  71          1HE       MET  71  -1.116  -5.529   1.708
  508   2HE   MET  71          2HE       MET  71  -2.272  -6.310   2.814
  509   3HE   MET  71          3HE       MET  71  -1.672  -7.190   1.388
  510    H    MET  72           H        MET  72  -5.618  -1.236   1.709
  511    HA   MET  72           HA       MET  72  -5.621  -2.208   4.283
  512   1HB   MET  72          1HB       MET  72  -5.799   0.316   2.906
  513   2HB   MET  72          2HB       MET  72  -7.116   0.297   4.062
  514   1HG   MET  72          1HG       MET  72  -4.394  -0.609   5.008
  515   2HG   MET  72          2HG       MET  72  -4.648   1.108   4.761
  516   1HE   MET  72          1HE       MET  72  -3.767  -0.180   7.130
  517   2HE   MET  72          2HE       MET  72  -4.744   0.340   8.524
  518   3HE   MET  72          3HE       MET  72  -4.899  -1.319   7.899
  519    H    ALA  73           H        ALA  73  -8.431  -0.861   2.394
  520    HA   ALA  73           HA       ALA  73 -10.419  -1.271   4.168
  521   1HB   ALA  73          1HB       ALA  73 -10.422  -1.748   1.160
  522   2HB   ALA  73          2HB       ALA  73 -11.883  -1.554   2.158
  523   3HB   ALA  73          3HB       ALA  73 -10.730  -0.208   1.996
  524    H    ARG  74           H        ARG  74  -9.280  -3.719   1.728
  525    HA   ARG  74           HA       ARG  74 -10.912  -5.723   2.671
  526   1HB   ARG  74          1HB       ARG  74  -8.268  -5.740   1.156
  527   2HB   ARG  74          2HB       ARG  74  -9.087  -7.238   1.550
  528   1HG   ARG  74          1HG       ARG  74 -10.688  -5.040   0.235
  529   2HG   ARG  74          2HG       ARG  74  -9.566  -5.952  -0.755
  530   1HD   ARG  74          1HD       ARG  74 -10.908  -7.800  -0.761
  531   2HD   ARG  74          2HD       ARG  74 -11.155  -7.729   0.973
  532    HE   ARG  74           HE       ARG  74 -13.132  -6.489   0.639
  533   1HH1  ARG  74          2HH2      ARG  74 -11.320  -6.697  -2.370
  534   2HH1  ARG  74          1HH2      ARG  74 -12.607  -6.059  -3.338
  535   1HH2  ARG  74          2HH1      ARG  74 -14.830  -5.648  -0.638
  536   2HH2  ARG  74          1HH1      ARG  74 -14.617  -5.459  -2.346
  537    H    LYS  75           H        LYS  75  -7.620  -4.643   3.618
  538    HA   LYS  75           HA       LYS  75  -6.668  -6.713   5.041
  539   1HB   LYS  75          1HB       LYS  75  -5.961  -4.123   4.710
  540   2HB   LYS  75          2HB       LYS  75  -6.483  -4.067   6.382
  541   1HG   LYS  75          1HG       LYS  75  -4.185  -4.647   6.530
  542   2HG   LYS  75          2HG       LYS  75  -5.014  -6.175   6.753
  543   1HD   LYS  75          1HD       LYS  75  -4.395  -5.467   3.915
  544   2HD   LYS  75          2HD       LYS  75  -2.998  -5.773   4.929
  545   1HE   LYS  75          1HE       LYS  75  -4.872  -7.826   5.570
  546   2HE   LYS  75          2HE       LYS  75  -4.915  -7.680   3.824
  547   1HZ   LYS  75          1HZ       LYS  75  -3.020  -8.769   3.792
  548   2HZ   LYS  75          2HZ       LYS  75  -2.271  -7.540   4.565
  549   3HZ   LYS  75          3HZ       LYS  75  -2.907  -8.777   5.422
  550    H    MET  76           H        MET  76  -8.957  -4.206   6.340
  551    HA   MET  76           HA       MET  76  -9.254  -5.397   8.800
  552   1HB   MET  76          1HB       MET  76 -10.660  -3.383   7.111
  553   2HB   MET  76          2HB       MET  76 -11.725  -4.177   8.254
  554   1HG   MET  76          1HG       MET  76  -9.480  -3.638   9.823
  555   2HG   MET  76          2HG       MET  76  -9.526  -2.249   8.757
  556   1HE   MET  76          1HE       MET  76 -12.412  -3.622  11.923
  557   2HE   MET  76          2HE       MET  76 -10.906  -4.349  11.315
  558   3HE   MET  76          3HE       MET  76 -10.841  -2.908  12.358
  559    H    LYS  77           H        LYS  77 -11.029  -5.914   5.706
  560    HA   LYS  77           HA       LYS  77 -13.051  -7.524   6.746
  561   1HB   LYS  77          1HB       LYS  77 -12.417  -6.446   4.299
  562   2HB   LYS  77          2HB       LYS  77 -12.137  -8.152   4.014
  563   1HG   LYS  77          1HG       LYS  77 -14.440  -8.579   5.106
  564   2HG   LYS  77          2HG       LYS  77 -14.700  -6.848   5.026
  565   1HD   LYS  77          1HD       LYS  77 -13.741  -8.027   2.473
  566   2HD   LYS  77          2HD       LYS  77 -15.293  -8.650   2.995
  567   1HE   LYS  77          1HE       LYS  77 -15.144  -5.733   3.342
  568   2HE   LYS  77          2HE       LYS  77 -14.821  -6.194   1.683
  569   1HZ   LYS  77          1HZ       LYS  77 -17.036  -7.524   2.958
  570   2HZ   LYS  77          2HZ       LYS  77 -17.242  -5.935   2.644
  571   3HZ   LYS  77          3HZ       LYS  77 -16.894  -6.969   1.428
  572    H    ASP  78           H        ASP  78  -9.980  -8.504   5.059
  573    HA   ASP  78           HA       ASP  78 -10.254 -11.170   5.434
  574   1HB   ASP  78          1HB       ASP  78  -8.247  -9.392   4.560
  575   2HB   ASP  78          2HB       ASP  78  -7.484 -10.263   5.876
  576    H    THR  79           H        THR  79  -8.305  -8.848   7.474
  577    HA   THR  79           HA       THR  79  -7.752 -10.682   9.516
  578    HB   THR  79           HB       THR  79  -6.737  -8.323   8.857
  579    HG1  THR  79           HG1      THR  79  -6.183  -8.213  11.244
  580   1HG2  THR  79          1HG2      THR  79  -7.584  -6.439   9.993
  581   2HG2  THR  79          2HG2      THR  79  -9.099  -7.255   9.536
  582   3HG2  THR  79          3HG2      THR  79  -8.455  -7.431  11.186
  Start of MODEL   15
    1   1H    ALA   1          1H        ALA   1 -16.754   5.820   1.588
    2    HA   ALA   1           HA       ALA   1 -17.283   8.701   1.331
    3   1HB   ALA   1          1HB       ALA   1 -17.064   8.234  -0.869
    4   2HB   ALA   1          2HB       ALA   1 -17.121   6.477  -0.585
    5   3HB   ALA   1          3HB       ALA   1 -18.633   7.405  -0.725
    6    H    ASP   2           H        ASP   2 -18.939   5.460   1.234
    7    HA   ASP   2           HA       ASP   2 -21.027   6.706   2.837
    8   1HB   ASP   2          1HB       ASP   2 -21.215   5.518   0.182
    9   2HB   ASP   2          2HB       ASP   2 -22.172   4.575   1.307
   10    H    GLN   3           H        GLN   3 -18.521   4.771   3.092
   11    HA   GLN   3           HA       GLN   3 -19.962   2.816   4.679
   12   1HB   GLN   3          1HB       GLN   3 -18.370   1.031   3.901
   13   2HB   GLN   3          2HB       GLN   3 -19.443   1.607   2.642
   14   1HG   GLN   3          1HG       GLN   3 -17.513   3.287   2.053
   15   2HG   GLN   3          2HG       GLN   3 -16.497   2.245   3.030
   16   1HE2  GLN   3          1HE2      GLN   3 -16.098   0.123   2.411
   17   2HE2  GLN   3          2HE2      GLN   3 -16.348  -0.450   0.795
   18    H    LEU   4           H        LEU   4 -16.722   4.175   3.762
   19    HA   LEU   4           HA       LEU   4 -16.106   5.059   6.296
   20   1HB   LEU   4          1HB       LEU   4 -15.256   3.395   7.471
   21   2HB   LEU   4          2HB       LEU   4 -16.081   2.330   6.351
   22    HG   LEU   4           HG       LEU   4 -13.867   2.520   4.953
   23   1HD1  LEU   4          1HD1      LEU   4 -11.875   2.689   6.493
   24   2HD1  LEU   4          2HD1      LEU   4 -12.721   4.218   6.151
   25   3HD1  LEU   4          3HD1      LEU   4 -12.972   3.390   7.707
   26   1HD2  LEU   4          1HD2      LEU   4 -13.407   0.423   5.643
   27   2HD2  LEU   4          2HD2      LEU   4 -13.399   0.869   7.366
   28   3HD2  LEU   4          3HD2      LEU   4 -14.944   0.607   6.522
   29    H    THR   5           H        THR   5 -15.035   3.645   3.194
   30    HA   THR   5           HA       THR   5 -12.487   4.440   2.953
   31    HB   THR   5           HB       THR   5 -13.941   5.237   0.566
   32    HG1  THR   5           HG1      THR   5 -15.768   4.156   1.424
   33   1HG2  THR   5          1HG2      THR   5 -11.817   3.962   0.487
   34   2HG2  THR   5          2HG2      THR   5 -12.567   2.624   1.390
   35   3HG2  THR   5          3HG2      THR   5 -13.114   3.000  -0.262
   36    H    GLU   6           H        GLU   6 -15.287   6.576   3.279
   37    HA   GLU   6           HA       GLU   6 -14.316   8.866   2.232
   38   1HB   GLU   6          1HB       GLU   6 -16.586   8.551   3.223
   39   2HB   GLU   6          2HB       GLU   6 -15.888   8.571   4.830
   40   1HG   GLU   6          1HG       GLU   6 -15.446  10.860   4.773
   41   2HG   GLU   6          2HG       GLU   6 -15.212  10.887   3.037
   42    H    GLU   7           H        GLU   7 -13.966   7.849   5.714
   43    HA   GLU   7           HA       GLU   7 -12.110   9.900   6.213
   44   1HB   GLU   7          1HB       GLU   7 -11.771   8.619   8.393
   45   2HB   GLU   7          2HB       GLU   7 -13.418   9.112   8.057
   46   1HG   GLU   7          1HG       GLU   7 -14.152   6.943   7.698
   47   2HG   GLU   7          2HG       GLU   7 -12.633   6.426   6.994
   48    H    GLN   8           H        GLN   8 -11.910   6.490   5.195
   49    HA   GLN   8           HA       GLN   8  -9.256   6.067   5.827
   50   1HB   GLN   8          1HB       GLN   8 -11.138   4.436   4.985
   51   2HB   GLN   8          2HB       GLN   8 -10.574   4.857   3.381
   52   1HG   GLN   8          1HG       GLN   8  -9.334   2.900   3.989
   53   2HG   GLN   8          2HG       GLN   8  -8.207   4.231   4.161
   54   1HE2  GLN   8          1HE2      GLN   8  -9.983   1.741   5.720
   55   2HE2  GLN   8          2HE2      GLN   8  -9.380   1.942   7.332
   56    H    ILE   9           H        ILE   9 -10.718   6.938   2.605
   57    HA   ILE   9           HA       ILE   9  -8.290   7.355   1.326
   58    HB   ILE   9           HB       ILE   9  -9.592   8.495  -0.361
   59   1HG1  ILE   9          1HG1      ILE   9 -12.240   8.337   0.676
   60   2HG1  ILE   9          2HG1      ILE   9 -11.275   9.204   1.853
   61   1HG2  ILE   9          1HG2      ILE   9 -10.765   6.007   0.869
   62   2HG2  ILE   9          2HG2      ILE   9 -11.429   6.711  -0.625
   63   3HG2  ILE   9          3HG2      ILE   9  -9.732   6.176  -0.571
   64   1HD1  ILE   9          1HD1      ILE   9 -10.346  10.365  -0.444
   65   2HD1  ILE   9          2HD1      ILE   9 -12.011   9.972  -0.933
   66   3HD1  ILE   9          3HD1      ILE   9 -11.722  10.998   0.491
   67    H    ALA  10           H        ALA  10  -9.917   9.196   3.785
   68    HA   ALA  10           HA       ALA  10  -8.916  11.744   3.090
   69   1HB   ALA  10          1HB       ALA  10  -9.319  11.445   5.925
   70   2HB   ALA  10          2HB       ALA  10 -10.345  12.283   4.736
   71   3HB   ALA  10          3HB       ALA  10 -10.596  10.552   5.065
   72    H    GLU  11           H        GLU  11  -7.908   9.384   5.673
   73    HA   GLU  11           HA       GLU  11  -5.530  10.810   6.138
   74   1HB   GLU  11          1HB       GLU  11  -6.720   8.206   7.066
   75   2HB   GLU  11          2HB       GLU  11  -5.006   8.457   7.327
   76   1HG   GLU  11          1HG       GLU  11  -5.339  10.211   8.827
   77   2HG   GLU  11          2HG       GLU  11  -6.828  10.731   8.063
   78    H    PHE  12           H        PHE  12  -6.389   7.811   4.321
   79    HA   PHE  12           HA       PHE  12  -3.902   6.890   3.715
   80   1HB   PHE  12          1HB       PHE  12  -6.595   7.070   2.298
   81   2HB   PHE  12          2HB       PHE  12  -5.250   6.368   1.423
   82    HD1  PHE  12           HD1      PHE  12  -5.232   5.862   4.997
   83    HD2  PHE  12           HD2      PHE  12  -6.640   4.296   1.313
   84    HE1  PHE  12           HE1      PHE  12  -5.667   3.650   6.103
   85    HE2  PHE  12           HE2      PHE  12  -7.075   2.085   2.419
   86    HZ   PHE  12           HZ       PHE  12  -6.583   1.788   4.801
   87    H    LYS  13           H        LYS  13  -5.605   9.734   2.404
   88    HA   LYS  13           HA       LYS  13  -4.175  10.108   0.081
   89   1HB   LYS  13          1HB       LYS  13  -6.215  11.372   1.198
   90   2HB   LYS  13          2HB       LYS  13  -4.963  12.453   1.775
   91   1HG   LYS  13          1HG       LYS  13  -4.376  13.164  -0.377
   92   2HG   LYS  13          2HG       LYS  13  -4.874  11.662  -1.131
   93   1HD   LYS  13          1HD       LYS  13  -7.232  12.779   0.039
   94   2HD   LYS  13          2HD       LYS  13  -6.406  14.109  -0.750
   95   1HE   LYS  13          1HE       LYS  13  -6.546  11.554  -2.312
   96   2HE   LYS  13          2HE       LYS  13  -8.073  12.375  -2.058
   97   1HZ   LYS  13          1HZ       LYS  13  -6.684  13.036  -4.043
   98   2HZ   LYS  13          2HZ       LYS  13  -7.305  14.247  -3.141
   99   3HZ   LYS  13          3HZ       LYS  13  -5.728  13.847  -2.997
  100    H    GLU  14           H        GLU  14  -3.438  11.320   3.422
  101    HA   GLU  14           HA       GLU  14  -0.999  12.439   2.589
  102   1HB   GLU  14          1HB       GLU  14  -2.118  11.748   5.337
  103   2HB   GLU  14          2HB       GLU  14  -0.584  12.566   5.114
  104   1HG   GLU  14          1HG       GLU  14  -1.677  14.540   4.922
  105   2HG   GLU  14          2HG       GLU  14  -2.456  13.956   3.465
  106    H    ALA  15           H        ALA  15  -2.047   9.244   3.713
  107    HA   ALA  15           HA       ALA  15   0.480   8.287   4.495
  108   1HB   ALA  15          1HB       ALA  15  -0.602   6.139   4.512
  109   2HB   ALA  15          2HB       ALA  15  -1.807   7.335   5.048
  110   3HB   ALA  15          3HB       ALA  15  -1.863   6.698   3.387
  111    H    PHE  16           H        PHE  16  -1.326   8.329   1.374
  112    HA   PHE  16           HA       PHE  16   0.270   6.680  -0.099
  113   1HB   PHE  16          1HB       PHE  16  -1.740   7.625  -1.053
  114   2HB   PHE  16          2HB       PHE  16  -1.293   9.255  -0.590
  115    HD1  PHE  16           HD1      PHE  16  -0.005   6.501  -2.766
  116    HD2  PHE  16           HD2      PHE  16  -0.598  10.673  -2.266
  117    HE1  PHE  16           HE1      PHE  16   0.900   6.907  -5.072
  118    HE2  PHE  16           HE2      PHE  16   0.306  11.078  -4.572
  119    HZ   PHE  16           HZ       PHE  16   1.044   9.191  -5.947
  120    H    SER  17           H        SER  17   0.822  10.109   0.834
  121    HA   SER  17           HA       SER  17   2.881  10.645  -0.884
  122   1HB   SER  17          1HB       SER  17   1.963  11.680   1.767
  123   2HB   SER  17          2HB       SER  17   3.610  12.084   1.324
  124    HG   SER  17           HG       SER  17   1.196  13.021   0.271
  125    H    LEU  18           H        LEU  18   3.070   9.481   2.565
  126    HA   LEU  18           HA       LEU  18   5.843   9.105   2.520
  127   1HB   LEU  18          1HB       LEU  18   3.596   8.143   4.261
  128   2HB   LEU  18          2HB       LEU  18   5.226   7.545   4.503
  129    HG   LEU  18           HG       LEU  18   4.817  10.507   4.378
  130   1HD1  LEU  18          1HD1      LEU  18   4.591   9.630   7.105
  131   2HD1  LEU  18          2HD1      LEU  18   3.503  10.670   6.156
  132   3HD1  LEU  18          3HD1      LEU  18   3.291   8.903   6.130
  133   1HD2  LEU  18          1HD2      LEU  18   6.795   8.583   5.483
  134   2HD2  LEU  18          2HD2      LEU  18   7.034  10.156   4.686
  135   3HD2  LEU  18          3HD2      LEU  18   6.531  10.090   6.392
  136    H    PHE  19           H        PHE  19   3.168   6.642   2.361
  137    HA   PHE  19           HA       PHE  19   4.692   4.455   1.877
  138   1HB   PHE  19          1HB       PHE  19   1.948   5.420   1.525
  139   2HB   PHE  19          2HB       PHE  19   2.361   4.418   0.149
  140    HD1  PHE  19           HD1      PHE  19   2.256   2.092   0.317
  141    HD2  PHE  19           HD2      PHE  19   2.338   4.415   3.867
  142    HE1  PHE  19           HE1      PHE  19   1.788   0.034   1.674
  143    HE2  PHE  19           HE2      PHE  19   1.870   2.357   5.225
  144    HZ   PHE  19           HZ       PHE  19   1.601   0.191   4.112
  145    H    ASP  20           H        ASP  20   3.901   7.118  -0.349
  146    HA   ASP  20           HA       ASP  20   5.150   5.606  -2.492
  147   1HB   ASP  20          1HB       ASP  20   2.846   6.827  -2.702
  148   2HB   ASP  20          2HB       ASP  20   3.777   8.311  -2.734
  149    H    LYS  21           H        LYS  21   7.044   6.318  -0.689
  150    HA   LYS  21           HA       LYS  21   7.996   8.861  -0.550
  151   1HB   LYS  21          1HB       LYS  21  10.266   7.716  -0.295
  152   2HB   LYS  21          2HB       LYS  21   8.997   7.254   0.822
  153   1HG   LYS  21          1HG       LYS  21   8.613   5.491  -1.324
  154   2HG   LYS  21          2HG       LYS  21  10.358   5.637  -1.245
  155   1HD   LYS  21          1HD       LYS  21  10.092   3.954   0.320
  156   2HD   LYS  21          2HD       LYS  21   9.912   5.327   1.393
  157   1HE   LYS  21          1HE       LYS  21   7.370   4.573   0.079
  158   2HE   LYS  21          2HE       LYS  21   8.044   3.271   1.038
  159   1HZ   LYS  21          1HZ       LYS  21   7.395   5.982   1.942
  160   2HZ   LYS  21          2HZ       LYS  21   6.752   4.574   2.460
  161   3HZ   LYS  21          3HZ       LYS  21   8.294   4.955   2.837
  162    H    ASP  22           H        ASP  22   8.532   6.425  -3.163
  163    HA   ASP  22           HA       ASP  22  10.387   7.546  -4.644
  164   1HB   ASP  22          1HB       ASP  22   8.129   5.837  -5.107
  165   2HB   ASP  22          2HB       ASP  22   8.150   6.997  -6.420
  166    H    GLY  23           H        GLY  23   6.845   8.414  -4.818
  167   1HA   GLY  23          1HA       GLY  23   5.921  10.496  -5.055
  168   2HA   GLY  23          2HA       GLY  23   7.507  11.192  -5.322
  169    H    ASP  24           H        ASP  24   6.119   8.344  -7.042
  170    HA   ASP  24           HA       ASP  24   6.241   9.968  -9.460
  171   1HB   ASP  24          1HB       ASP  24   6.296   7.517 -10.506
  172   2HB   ASP  24          2HB       ASP  24   7.762   8.270  -9.911
  173    H    GLY  25           H        GLY  25   4.398   7.780  -7.356
  174   1HA   GLY  25          1HA       GLY  25   1.991   8.077  -7.389
  175   2HA   GLY  25          2HA       GLY  25   2.055   8.069  -9.140
  176    H    THR  26           H        THR  26   4.151   5.909  -7.244
  177    HA   THR  26           HA       THR  26   2.317   3.694  -7.406
  178    HB   THR  26           HB       THR  26   4.198   2.453  -8.821
  179    HG1  THR  26           HG1      THR  26   5.040   4.262 -10.310
  180   1HG2  THR  26          1HG2      THR  26   1.814   3.159  -9.627
  181   2HG2  THR  26          2HG2      THR  26   2.616   4.592 -10.313
  182   3HG2  THR  26          3HG2      THR  26   3.066   2.965 -10.877
  183    H    ILE  27           H        ILE  27   2.533   2.644  -5.542
  184    HA   ILE  27           HA       ILE  27   4.937   3.056  -4.010
  185    HB   ILE  27           HB       ILE  27   2.252   1.818  -3.516
  186   1HG1  ILE  27          1HG1      ILE  27   2.372   3.489  -1.590
  187   2HG1  ILE  27          2HG1      ILE  27   3.810   4.137  -2.354
  188   1HG2  ILE  27          1HG2      ILE  27   2.960   1.154  -1.278
  189   2HG2  ILE  27          2HG2      ILE  27   3.878   0.276  -2.525
  190   3HG2  ILE  27          3HG2      ILE  27   4.635   1.630  -1.651
  191   1HD1  ILE  27          1HD1      ILE  27   1.567   3.759  -4.249
  192   2HD1  ILE  27          2HD1      ILE  27   1.210   4.908  -2.937
  193   3HD1  ILE  27          3HD1      ILE  27   2.615   5.176  -3.996
  194    H    THR  28           H        THR  28   6.648   1.984  -4.992
  195    HA   THR  28           HA       THR  28   6.400  -0.600  -6.100
  196    HB   THR  28           HB       THR  28   8.788   1.055  -5.128
  197    HG1  THR  28           HG1      THR  28   8.789   1.281  -7.591
  198   1HG2  THR  28          1HG2      THR  28   9.883  -0.385  -7.048
  199   2HG2  THR  28          2HG2      THR  28   9.729  -1.115  -5.432
  200   3HG2  THR  28          3HG2      THR  28   8.565  -1.534  -6.713
  201    H    THR  29           H        THR  29   7.033  -2.643  -5.350
  202    HA   THR  29           HA       THR  29   6.231  -3.378  -2.876
  203    HB   THR  29           HB       THR  29   7.502  -5.442  -3.326
  204    HG1  THR  29           HG1      THR  29   8.803  -3.667  -5.271
  205   1HG2  THR  29          1HG2      THR  29   5.674  -4.487  -5.106
  206   2HG2  THR  29          2HG2      THR  29   7.115  -4.481  -6.151
  207   3HG2  THR  29          3HG2      THR  29   6.574  -5.997  -5.391
  208    H    LYS  30           H        LYS  30   9.453  -2.083  -3.771
  209    HA   LYS  30           HA       LYS  30  10.660  -2.634  -1.305
  210   1HB   LYS  30          1HB       LYS  30  12.405  -1.168  -2.047
  211   2HB   LYS  30          2HB       LYS  30  11.848  -2.101  -3.422
  212   1HG   LYS  30          1HG       LYS  30  10.226  -0.045  -3.832
  213   2HG   LYS  30          2HG       LYS  30  11.341   0.822  -2.794
  214   1HD   LYS  30          1HD       LYS  30  12.181  -0.728  -5.289
  215   2HD   LYS  30          2HD       LYS  30  11.886   0.999  -5.260
  216   1HE   LYS  30          1HE       LYS  30  13.706   0.198  -3.095
  217   2HE   LYS  30          2HE       LYS  30  14.320  -0.307  -4.657
  218   1HZ   LYS  30          1HZ       LYS  30  14.015   2.323  -3.610
  219   2HZ   LYS  30          2HZ       LYS  30  15.003   1.782  -4.792
  220   3HZ   LYS  30          3HZ       LYS  30  13.458   2.179  -5.138
  221    H    GLU  31           H        GLU  31   8.801   0.198  -2.548
  222    HA   GLU  31           HA       GLU  31   9.227   1.748  -0.274
  223   1HB   GLU  31          1HB       GLU  31   7.061   1.798  -2.413
  224   2HB   GLU  31          2HB       GLU  31   7.166   3.007  -1.149
  225   1HG   GLU  31          1HG       GLU  31   9.386   3.701  -1.886
  226   2HG   GLU  31          2HG       GLU  31   9.505   2.347  -2.992
  227    H    LEU  32           H        LEU  32   6.981  -0.878  -1.047
  228    HA   LEU  32           HA       LEU  32   5.048  -0.312   0.903
  229   1HB   LEU  32          1HB       LEU  32   4.467  -1.756  -0.844
  230   2HB   LEU  32          2HB       LEU  32   5.877  -2.771  -0.609
  231    HG   LEU  32           HG       LEU  32   3.690  -3.774   0.102
  232   1HD1  LEU  32          1HD1      LEU  32   4.897  -5.121   1.390
  233   2HD1  LEU  32          2HD1      LEU  32   6.224  -3.940   1.280
  234   3HD1  LEU  32          3HD1      LEU  32   5.078  -3.867   2.640
  235   1HD2  LEU  32          1HD2      LEU  32   2.875  -1.556   1.100
  236   2HD2  LEU  32          2HD2      LEU  32   2.514  -3.053   1.992
  237   3HD2  LEU  32          3HD2      LEU  32   3.839  -1.993   2.531
  238    H    GLY  33           H        GLY  33   8.003  -2.410   0.934
  239   1HA   GLY  33          1HA       GLY  33   7.667  -3.185   3.653
  240   2HA   GLY  33          2HA       GLY  33   9.089  -3.392   2.651
  241    H    THR  34           H        THR  34   8.911  -0.319   2.034
  242    HA   THR  34           HA       THR  34  10.739   0.445   4.077
  243    HB   THR  34           HB       THR  34   9.332   1.980   1.829
  244    HG1  THR  34           HG1      THR  34  11.954   0.723   2.250
  245   1HG2  THR  34          1HG2      THR  34  10.534   3.295   3.815
  246   2HG2  THR  34          2HG2      THR  34  12.019   2.680   3.051
  247   3HG2  THR  34          3HG2      THR  34  10.906   3.719   2.127
  248    H    VAL  35           H        VAL  35   7.470   1.747   3.176
  249    HA   VAL  35           HA       VAL  35   7.204   3.434   5.311
  250    HB   VAL  35           HB       VAL  35   5.754   3.071   3.237
  251   1HG1  VAL  35          1HG1      VAL  35   5.317   0.602   4.068
  252   2HG1  VAL  35          2HG1      VAL  35   3.999   1.375   4.981
  253   3HG1  VAL  35          3HG1      VAL  35   4.054   1.514   3.207
  254   1HG2  VAL  35          1HG2      VAL  35   3.700   3.485   5.184
  255   2HG2  VAL  35          2HG2      VAL  35   5.208   4.205   5.798
  256   3HG2  VAL  35          3HG2      VAL  35   4.572   4.691   4.208
  257    H    MET  36           H        MET  36   6.719  -0.113   5.129
  258    HA   MET  36           HA       MET  36   5.363  -0.544   7.418
  259   1HB   MET  36          1HB       MET  36   7.690  -2.072   6.139
  260   2HB   MET  36          2HB       MET  36   6.774  -2.737   7.477
  261   1HG   MET  36          1HG       MET  36   5.264  -1.707   5.066
  262   2HG   MET  36          2HG       MET  36   6.075  -3.255   4.947
  263   1HE   MET  36          1HE       MET  36   3.377  -1.171   6.085
  264   2HE   MET  36          2HE       MET  36   2.525  -2.467   5.212
  265   3HE   MET  36          3HE       MET  36   2.228  -2.220   6.949
  266    H    ARG  37           H        ARG  37   8.980  -0.344   7.085
  267    HA   ARG  37           HA       ARG  37   9.565  -0.738   9.708
  268   1HB   ARG  37          1HB       ARG  37  11.740   0.042   9.173
  269   2HB   ARG  37          2HB       ARG  37  11.117  -0.459   7.614
  270   1HG   ARG  37          1HG       ARG  37  11.801   1.641   6.973
  271   2HG   ARG  37          2HG       ARG  37  10.236   2.115   7.603
  272   1HD   ARG  37          1HD       ARG  37  11.304   2.574   9.843
  273   2HD   ARG  37          2HD       ARG  37  12.865   2.160   9.164
  274    HE   ARG  37           HE       ARG  37  12.017   4.074   7.408
  275   1HH1  ARG  37          2HH2      ARG  37  12.076   4.001  10.925
  276   2HH1  ARG  37          1HH2      ARG  37  12.263   5.715  11.085
  277   1HH2  ARG  37          2HH1      ARG  37  12.265   6.336   7.618
  278   2HH2  ARG  37          1HH1      ARG  37  12.372   7.052   9.191
  279    H    SER  38           H        SER  38   8.249   2.109   8.062
  280    HA   SER  38           HA       SER  38   8.969   3.963  10.042
  281   1HB   SER  38          1HB       SER  38   7.804   4.039   7.488
  282   2HB   SER  38          2HB       SER  38   6.523   4.612   8.538
  283    HG   SER  38           HG       SER  38   8.109   6.152   9.449
  284    H    LEU  39           H        LEU  39   6.399   1.576   9.659
  285    HA   LEU  39           HA       LEU  39   4.752   2.817  11.692
  286   1HB   LEU  39          1HB       LEU  39   4.474   0.345   9.989
  287   2HB   LEU  39          2HB       LEU  39   3.352   0.743  11.275
  288    HG   LEU  39           HG       LEU  39   3.861   2.879   9.269
  289   1HD1  LEU  39          1HD1      LEU  39   2.146   0.485   8.562
  290   2HD1  LEU  39          2HD1      LEU  39   2.445   1.937   7.576
  291   3HD1  LEU  39          3HD1      LEU  39   3.771   0.795   7.904
  292   1HD2  LEU  39          1HD2      LEU  39   1.474   3.281   9.566
  293   2HD2  LEU  39          2HD2      LEU  39   1.338   1.819  10.572
  294   3HD2  LEU  39          3HD2      LEU  39   2.307   3.202  11.137
  295    H    GLY  40           H        GLY  40   6.723  -0.184  11.208
  296   1HA   GLY  40          1HA       GLY  40   8.070  -0.409  13.441
  297   2HA   GLY  40          2HA       GLY  40   6.474  -0.776  14.066
  298    H    GLN  41           H        GLN  41   8.183  -1.595  10.957
  299    HA   GLN  41           HA       GLN  41   8.428  -4.298  11.688
  300   1HB   GLN  41          1HB       GLN  41   6.884  -5.004   9.637
  301   2HB   GLN  41          2HB       GLN  41   6.206  -4.776  11.237
  302   1HG   GLN  41          1HG       GLN  41   6.329  -2.229   9.787
  303   2HG   GLN  41          2HG       GLN  41   5.452  -3.429   8.860
  304   1HE2  GLN  41          1HE2      GLN  41   3.594  -4.389   9.693
  305   2HE2  GLN  41          2HE2      GLN  41   2.682  -3.698  10.993
  306    H    ASN  42           H        ASN  42   9.992  -5.285  10.391
  307    HA   ASN  42           HA       ASN  42  10.690  -3.799   7.983
  308   1HB   ASN  42          1HB       ASN  42  12.261  -4.020  10.313
  309   2HB   ASN  42          2HB       ASN  42  12.931  -5.255   9.264
  310   1HD2  ASN  42          1HD2      ASN  42  12.009  -1.851   9.455
  311   2HD2  ASN  42          2HD2      ASN  42  13.145  -1.237   8.300
  312    HA   PRO  43           HA       PRO  43  10.052  -8.289   7.227
  313   1HB   PRO  43          1HB       PRO  43   8.108  -8.102   5.315
  314   2HB   PRO  43          2HB       PRO  43   7.760  -8.344   7.016
  315   1HG   PRO  43          1HG       PRO  43   7.472  -5.888   5.396
  316   2HG   PRO  43          2HG       PRO  43   6.750  -6.272   6.946
  317   1HD   PRO  43          1HD       PRO  43   8.982  -4.533   6.477
  318   2HD   PRO  43          2HD       PRO  43   8.333  -5.009   8.034
  319    H    THR  44           H        THR  44   9.789  -9.403   4.818
  320    HA   THR  44           HA       THR  44  12.024  -8.125   3.392
  321    HB   THR  44           HB       THR  44  12.065 -10.619   2.440
  322    HG1  THR  44           HG1      THR  44  11.236 -11.928   4.396
  323   1HG2  THR  44          1HG2      THR  44  13.666 -11.208   4.064
  324   2HG2  THR  44          2HG2      THR  44  13.638  -9.440   4.266
  325   3HG2  THR  44          3HG2      THR  44  12.730 -10.479   5.390
  326    H    GLU  45           H        GLU  45  11.915  -7.675   1.211
  327    HA   GLU  45           HA       GLU  45   9.425  -7.029   0.243
  328   1HB   GLU  45          1HB       GLU  45  10.587  -6.605  -1.899
  329   2HB   GLU  45          2HB       GLU  45  11.512  -5.984  -0.547
  330   1HG   GLU  45          1HG       GLU  45  13.244  -7.125  -1.529
  331   2HG   GLU  45          2HG       GLU  45  12.565  -8.502  -0.683
  332    H    ALA  46           H        ALA  46  11.052 -10.095   0.388
  333    HA   ALA  46           HA       ALA  46   9.871 -11.276  -1.900
  334   1HB   ALA  46          1HB       ALA  46  11.839 -12.288  -1.071
  335   2HB   ALA  46          2HB       ALA  46  11.241 -12.286   0.605
  336   3HB   ALA  46          3HB       ALA  46  10.541 -13.406  -0.587
  337    H    GLU  47           H        GLU  47   9.188 -11.634   1.659
  338    HA   GLU  47           HA       GLU  47   6.923 -13.124   1.349
  339   1HB   GLU  47          1HB       GLU  47   8.019 -11.329   3.490
  340   2HB   GLU  47          2HB       GLU  47   6.343 -11.815   3.647
  341   1HG   GLU  47          1HG       GLU  47   7.880 -14.144   2.893
  342   2HG   GLU  47          2HG       GLU  47   8.708 -13.358   4.222
  343    H    LEU  48           H        LEU  48   7.358  -9.549   1.332
  344    HA   LEU  48           HA       LEU  48   4.578  -9.001   1.245
  345   1HB   LEU  48          1HB       LEU  48   7.095  -7.427   0.811
  346   2HB   LEU  48          2HB       LEU  48   5.538  -6.732   0.405
  347    HG   LEU  48           HG       LEU  48   6.270  -6.033   2.619
  348   1HD1  LEU  48          1HD1      LEU  48   3.760  -7.226   2.000
  349   2HD1  LEU  48          2HD1      LEU  48   4.146  -7.600   3.697
  350   3HD1  LEU  48          3HD1      LEU  48   4.121  -5.909   3.141
  351   1HD2  LEU  48          1HD2      LEU  48   7.678  -7.816   3.318
  352   2HD2  LEU  48          2HD2      LEU  48   6.334  -7.727   4.481
  353   3HD2  LEU  48          3HD2      LEU  48   6.347  -8.994   3.232
  354    H    GLN  49           H        GLN  49   7.062  -9.865  -1.119
  355    HA   GLN  49           HA       GLN  49   6.088  -8.823  -3.393
  356   1HB   GLN  49          1HB       GLN  49   8.134 -10.323  -3.045
  357   2HB   GLN  49          2HB       GLN  49   7.057 -11.702  -3.153
  358   1HG   GLN  49          1HG       GLN  49   6.289 -10.864  -5.419
  359   2HG   GLN  49          2HG       GLN  49   7.477  -9.580  -5.311
  360   1HE2  GLN  49          1HE2      GLN  49   9.577  -9.961  -5.712
  361   2HE2  GLN  49          2HE2      GLN  49  10.241 -11.482  -6.208
  362    H    ASP  50           H        ASP  50   4.848 -11.665  -1.573
  363    HA   ASP  50           HA       ASP  50   3.027 -12.411  -3.571
  364   1HB   ASP  50          1HB       ASP  50   3.899 -13.845  -1.643
  365   2HB   ASP  50          2HB       ASP  50   2.864 -12.929  -0.566
  366    H    MET  51           H        MET  51   3.052 -10.168  -0.790
  367    HA   MET  51           HA       MET  51   0.263  -9.853  -0.648
  368   1HB   MET  51          1HB       MET  51   2.639  -8.935   0.712
  369   2HB   MET  51          2HB       MET  51   1.737  -7.502   0.259
  370   1HG   MET  51          1HG       MET  51   0.588  -9.886   1.792
  371   2HG   MET  51          2HG       MET  51   1.064  -8.362   2.512
  372   1HE   MET  51          1HE       MET  51  -1.544  -5.844   1.439
  373   2HE   MET  51          2HE       MET  51  -0.274  -6.309   2.597
  374   3HE   MET  51          3HE       MET  51   0.139  -6.026   0.889
  375    H    ILE  52           H        ILE  52   2.913  -7.750  -1.991
  376    HA   ILE  52           HA       ILE  52   1.307  -5.751  -2.976
  377    HB   ILE  52           HB       ILE  52   3.187  -5.348  -4.565
  378   1HG1  ILE  52          1HG1      ILE  52   5.257  -6.882  -3.814
  379   2HG1  ILE  52          2HG1      ILE  52   3.975  -8.057  -3.595
  380   1HG2  ILE  52          1HG2      ILE  52   4.350  -5.842  -1.846
  381   2HG2  ILE  52          2HG2      ILE  52   4.530  -4.442  -2.930
  382   3HG2  ILE  52          3HG2      ILE  52   3.010  -4.687  -2.037
  383   1HD1  ILE  52          1HD1      ILE  52   3.358  -8.021  -5.872
  384   2HD1  ILE  52          2HD1      ILE  52   4.083  -6.418  -6.141
  385   3HD1  ILE  52          3HD1      ILE  52   5.127  -7.847  -5.948
  386    H    ASN  53           H        ASN  53   1.971  -9.014  -4.249
  387    HA   ASN  53           HA       ASN  53   0.990  -8.524  -6.807
  388   1HB   ASN  53          1HB       ASN  53   2.366 -10.535  -6.072
  389   2HB   ASN  53          2HB       ASN  53   0.960 -11.149  -5.225
  390   1HD2  ASN  53          1HD2      ASN  53   2.508 -12.231  -7.473
  391   2HD2  ASN  53          2HD2      ASN  53   1.392 -12.524  -8.765
  392    H    GLU  54           H        GLU  54  -0.473  -9.248  -3.644
  393    HA   GLU  54           HA       GLU  54  -2.945 -10.128  -4.643
  394   1HB   GLU  54          1HB       GLU  54  -2.106 -10.645  -2.356
  395   2HB   GLU  54          2HB       GLU  54  -2.225  -8.951  -1.921
  396   1HG   GLU  54          1HG       GLU  54  -4.441  -9.152  -1.474
  397   2HG   GLU  54          2HG       GLU  54  -4.755  -9.820  -3.063
  398    H    VAL  55           H        VAL  55  -1.935  -7.002  -3.066
  399    HA   VAL  55           HA       VAL  55  -4.324  -5.675  -3.522
  400    HB   VAL  55           HB       VAL  55  -3.190  -3.757  -2.858
  401   1HG1  VAL  55          1HG1      VAL  55  -1.167  -5.450  -1.561
  402   2HG1  VAL  55          2HG1      VAL  55  -2.472  -4.470  -0.851
  403   3HG1  VAL  55          3HG1      VAL  55  -2.819  -6.106  -1.463
  404   1HG2  VAL  55          1HG2      VAL  55  -0.590  -4.987  -3.837
  405   2HG2  VAL  55          2HG2      VAL  55  -1.519  -3.714  -4.664
  406   3HG2  VAL  55          3HG2      VAL  55  -0.777  -3.387  -3.080
  407    H    ASP  56           H        ASP  56  -1.416  -6.127  -5.587
  408    HA   ASP  56           HA       ASP  56  -1.897  -4.294  -7.497
  409   1HB   ASP  56          1HB       ASP  56   0.075  -5.711  -7.556
  410   2HB   ASP  56          2HB       ASP  56  -0.893  -7.163  -7.717
  411    H    ALA  57           H        ALA  57  -3.899  -3.910  -8.480
  412    HA   ALA  57           HA       ALA  57  -5.509  -6.253  -9.200
  413   1HB   ALA  57          1HB       ALA  57  -7.016  -3.901  -9.540
  414   2HB   ALA  57          2HB       ALA  57  -7.127  -5.058  -8.192
  415   3HB   ALA  57          3HB       ALA  57  -6.069  -3.632  -8.057
  416    H    ASP  58           H        ASP  58  -4.724  -2.916 -10.430
  417    HA   ASP  58           HA       ASP  58  -5.582  -3.103 -12.912
  418   1HB   ASP  58          1HB       ASP  58  -3.069  -1.977 -13.342
  419   2HB   ASP  58          2HB       ASP  58  -4.495  -1.109 -12.810
  420    H    GLY  59           H        GLY  59  -2.838  -4.839 -11.459
  421   1HA   GLY  59          1HA       GLY  59  -2.115  -6.902 -12.345
  422   2HA   GLY  59          2HA       GLY  59  -2.493  -6.347 -13.963
  423    H    ASP  60           H        ASP  60  -0.014  -6.771 -11.646
  424    HA   ASP  60           HA       ASP  60   2.007  -6.164 -13.306
  425   1HB   ASP  60          1HB       ASP  60   2.778  -3.955 -12.003
  426   2HB   ASP  60          2HB       ASP  60   1.783  -3.862 -13.442
  427    H    GLY  61           H        GLY  61   1.361  -4.895  -9.944
  428   1HA   GLY  61          1HA       GLY  61   1.972  -6.804  -8.265
  429   2HA   GLY  61          2HA       GLY  61   3.571  -6.531  -8.930
  430    H    THR  62           H        THR  62   3.470  -3.696  -9.371
  431    HA   THR  62           HA       THR  62   4.143  -2.778  -6.806
  432    HB   THR  62           HB       THR  62   3.448  -1.195  -9.335
  433    HG1  THR  62           HG1      THR  62   5.433  -1.971 -10.016
  434   1HG2  THR  62          1HG2      THR  62   5.782  -0.259  -7.973
  435   2HG2  THR  62          2HG2      THR  62   4.224   0.587  -8.134
  436   3HG2  THR  62          3HG2      THR  62   4.527  -0.458  -6.726
  437    H    ILE  63           H        ILE  63   3.172  -1.094  -5.509
  438    HA   ILE  63           HA       ILE  63   0.292  -1.447  -5.450
  439    HB   ILE  63           HB       ILE  63   2.208  -0.162  -3.501
  440   1HG1  ILE  63          1HG1      ILE  63   1.099  -2.936  -3.788
  441   2HG1  ILE  63          2HG1      ILE  63   2.734  -2.420  -3.424
  442   1HG2  ILE  63          1HG2      ILE  63  -0.743  -0.793  -3.213
  443   2HG2  ILE  63          2HG2      ILE  63   0.332  -0.209  -1.920
  444   3HG2  ILE  63          3HG2      ILE  63  -0.012   0.826  -3.326
  445   1HD1  ILE  63          1HD1      ILE  63   1.736  -1.446  -1.215
  446   2HD1  ILE  63          2HD1      ILE  63   0.322  -2.464  -1.582
  447   3HD1  ILE  63          3HD1      ILE  63   1.919  -3.212  -1.343
  448    H    ASP  64           H        ASP  64  -1.114   0.502  -5.065
  449    HA   ASP  64           HA       ASP  64   0.034   2.905  -6.192
  450   1HB   ASP  64          1HB       ASP  64  -2.561   1.624  -7.171
  451   2HB   ASP  64          2HB       ASP  64  -1.955   3.185  -7.686
  452    H    PHE  65           H        PHE  65  -2.300   4.474  -6.302
  453    HA   PHE  65           HA       PHE  65  -2.843   4.860  -3.553
  454   1HB   PHE  65          1HB       PHE  65  -2.982   6.247  -6.024
  455   2HB   PHE  65          2HB       PHE  65  -4.667   6.071  -5.577
  456    HD1  PHE  65           HD1      PHE  65  -4.536   6.324  -2.639
  457    HD2  PHE  65           HD2      PHE  65  -2.501   8.491  -5.667
  458    HE1  PHE  65           HE1      PHE  65  -4.333   8.292  -1.094
  459    HE2  PHE  65           HE2      PHE  65  -2.297  10.459  -4.122
  460    HZ   PHE  65           HZ       PHE  65  -3.216  10.336  -1.854
  461    HA   PRO  66           HA       PRO  66  -7.087   3.170  -4.823
  462   1HB   PRO  66          1HB       PRO  66  -7.384   1.899  -7.224
  463   2HB   PRO  66          2HB       PRO  66  -7.782   3.588  -6.979
  464   1HG   PRO  66          1HG       PRO  66  -5.447   2.415  -8.361
  465   2HG   PRO  66          2HG       PRO  66  -6.080   4.045  -8.467
  466   1HD   PRO  66          1HD       PRO  66  -3.763   3.197  -7.006
  467   2HD   PRO  66          2HD       PRO  66  -4.463   4.803  -7.019
  468    H    GLU  67           H        GLU  67  -4.345   1.318  -5.905
  469    HA   GLU  67           HA       GLU  67  -5.528  -1.145  -5.259
  470   1HB   GLU  67          1HB       GLU  67  -2.680  -0.238  -5.788
  471   2HB   GLU  67          2HB       GLU  67  -3.025  -1.892  -5.322
  472   1HG   GLU  67          1HG       GLU  67  -4.598  -2.115  -7.251
  473   2HG   GLU  67          2HG       GLU  67  -4.277  -0.455  -7.712
  474    H    PHE  68           H        PHE  68  -3.458   1.215  -3.513
  475    HA   PHE  68           HA       PHE  68  -2.984  -0.473  -1.297
  476   1HB   PHE  68          1HB       PHE  68  -1.522   1.424  -1.766
  477   2HB   PHE  68          2HB       PHE  68  -2.880   2.519  -1.940
  478    HD1  PHE  68           HD1      PHE  68  -0.337   1.419   0.222
  479    HD2  PHE  68           HD2      PHE  68  -4.328   2.861   0.230
  480    HE1  PHE  68           HE1      PHE  68  -0.078   2.122   2.618
  481    HE2  PHE  68           HE2      PHE  68  -4.069   3.563   2.626
  482    HZ   PHE  68           HZ       PHE  68  -1.948   3.185   3.791
  483    H    LEU  69           H        LEU  69  -5.419   2.076  -2.071
  484    HA   LEU  69           HA       LEU  69  -6.550   2.148   0.496
  485   1HB   LEU  69          1HB       LEU  69  -7.949   3.674  -0.370
  486   2HB   LEU  69          2HB       LEU  69  -6.726   3.710  -1.624
  487    HG   LEU  69           HG       LEU  69  -8.201   1.949  -2.831
  488   1HD1  LEU  69          1HD1      LEU  69  -9.683   2.126  -0.496
  489   2HD1  LEU  69          2HD1      LEU  69 -10.616   3.092  -1.664
  490   3HD1  LEU  69          3HD1      LEU  69 -10.207   1.400  -2.035
  491   1HD2  LEU  69          1HD2      LEU  69  -7.816   4.427  -3.380
  492   2HD2  LEU  69          2HD2      LEU  69  -9.256   3.634  -4.062
  493   3HD2  LEU  69          3HD2      LEU  69  -9.415   4.703  -2.648
  494    H    THR  70           H        THR  70  -7.292   0.237  -2.477
  495    HA   THR  70           HA       THR  70  -9.564  -1.032  -1.405
  496    HB   THR  70           HB       THR  70  -7.587  -1.737  -3.634
  497    HG1  THR  70           HG1      THR  70  -9.013   0.257  -3.637
  498   1HG2  THR  70          1HG2      THR  70  -9.158  -3.336  -4.450
  499   2HG2  THR  70          2HG2      THR  70  -9.106  -3.683  -2.704
  500   3HG2  THR  70          3HG2      THR  70 -10.451  -2.736  -3.384
  501    H    MET  71           H        MET  71  -6.066  -1.735  -1.211
  502    HA   MET  71           HA       MET  71  -6.264  -4.323  -0.329
  503   1HB   MET  71          1HB       MET  71  -4.112  -3.341  -0.934
  504   2HB   MET  71          2HB       MET  71  -4.287  -2.060   0.250
  505   1HG   MET  71          1HG       MET  71  -2.707  -3.772   1.077
  506   2HG   MET  71          2HG       MET  71  -4.129  -3.723   2.101
  507   1HE   MET  71          1HE       MET  71  -4.262  -5.584   3.140
  508   2HE   MET  71          2HE       MET  71  -5.768  -6.154   2.383
  509   3HE   MET  71          3HE       MET  71  -4.382  -7.258   2.548
  510    H    MET  72           H        MET  72  -5.866  -1.323   1.701
  511    HA   MET  72           HA       MET  72  -6.135  -2.585   4.113
  512   1HB   MET  72          1HB       MET  72  -6.469   0.196   3.023
  513   2HB   MET  72          2HB       MET  72  -7.220  -0.082   4.581
  514   1HG   MET  72          1HG       MET  72  -4.410  -1.101   4.241
  515   2HG   MET  72          2HG       MET  72  -4.612   0.638   4.318
  516   1HE   MET  72          1HE       MET  72  -5.147  -2.753   5.943
  517   2HE   MET  72          2HE       MET  72  -3.587  -2.097   6.495
  518   3HE   MET  72          3HE       MET  72  -4.901  -2.372   7.664
  519    H    ALA  73           H        ALA  73  -8.699  -0.812   2.231
  520    HA   ALA  73           HA       ALA  73 -10.804  -1.274   3.908
  521   1HB   ALA  73          1HB       ALA  73 -10.962  -1.375   0.877
  522   2HB   ALA  73          2HB       ALA  73 -12.182  -0.767   2.022
  523   3HB   ALA  73          3HB       ALA  73 -10.665   0.131   1.778
  524    H    ARG  74           H        ARG  74  -9.594  -3.377   1.209
  525    HA   ARG  74           HA       ARG  74 -11.509  -5.328   1.565
  526   1HB   ARG  74          1HB       ARG  74  -8.739  -5.252   0.336
  527   2HB   ARG  74          2HB       ARG  74  -9.545  -6.800   0.494
  528   1HG   ARG  74          1HG       ARG  74 -11.152  -4.537  -0.668
  529   2HG   ARG  74          2HG       ARG  74  -9.876  -5.202  -1.669
  530   1HD   ARG  74          1HD       ARG  74 -11.419  -7.350  -0.399
  531   2HD   ARG  74          2HD       ARG  74 -12.476  -6.274  -1.292
  532    HE   ARG  74           HE       ARG  74 -10.381  -8.010  -2.417
  533   1HH1  ARG  74          2HH2      ARG  74 -12.502  -5.259  -2.978
  534   2HH1  ARG  74          1HH2      ARG  74 -12.425  -5.388  -4.704
  535   1HH2  ARG  74          2HH1      ARG  74 -10.279  -8.182  -4.693
  536   2HH2  ARG  74          1HH1      ARG  74 -11.151  -7.062  -5.686
  537    H    LYS  75           H        LYS  75  -8.307  -4.760   3.088
  538    HA   LYS  75           HA       LYS  75  -8.038  -7.253   4.315
  539   1HB   LYS  75          1HB       LYS  75  -6.414  -5.169   3.995
  540   2HB   LYS  75          2HB       LYS  75  -6.971  -4.774   5.608
  541   1HG   LYS  75          1HG       LYS  75  -5.862  -7.511   4.832
  542   2HG   LYS  75          2HG       LYS  75  -4.885  -6.234   5.527
  543   1HD   LYS  75          1HD       LYS  75  -5.496  -7.001   7.574
  544   2HD   LYS  75          2HD       LYS  75  -7.100  -6.372   7.255
  545   1HE   LYS  75          1HE       LYS  75  -7.977  -8.462   7.026
  546   2HE   LYS  75          2HE       LYS  75  -6.719  -8.948   5.908
  547   1HZ   LYS  75          1HZ       LYS  75  -6.516  -8.926   8.839
  548   2HZ   LYS  75          2HZ       LYS  75  -6.580 -10.243   7.875
  549   3HZ   LYS  75          3HZ       LYS  75  -5.271  -9.268   7.839
  550    H    MET  76           H        MET  76  -9.135  -4.106   5.779
  551    HA   MET  76           HA       MET  76 -10.003  -5.305   8.117
  552   1HB   MET  76          1HB       MET  76 -10.953  -3.125   8.594
  553   2HB   MET  76          2HB       MET  76  -9.544  -2.811   7.601
  554   1HG   MET  76          1HG       MET  76 -10.856  -1.746   6.086
  555   2HG   MET  76          2HG       MET  76 -11.719  -3.242   5.787
  556   1HE   MET  76          1HE       MET  76 -14.566  -1.352   5.787
  557   2HE   MET  76          2HE       MET  76 -13.646  -2.803   5.322
  558   3HE   MET  76          3HE       MET  76 -14.873  -2.901   6.608
  559    H    LYS  77           H        LYS  77 -11.412  -5.196   4.924
  560    HA   LYS  77           HA       LYS  77 -14.120  -5.332   5.619
  561   1HB   LYS  77          1HB       LYS  77 -13.431  -4.742   3.389
  562   2HB   LYS  77          2HB       LYS  77 -12.589  -6.263   3.178
  563   1HG   LYS  77          1HG       LYS  77 -14.918  -7.378   3.661
  564   2HG   LYS  77          2HG       LYS  77 -15.585  -5.788   3.350
  565   1HD   LYS  77          1HD       LYS  77 -13.607  -6.763   1.329
  566   2HD   LYS  77          2HD       LYS  77 -15.113  -7.657   1.396
  567   1HE   LYS  77          1HE       LYS  77 -15.753  -4.843   1.532
  568   2HE   LYS  77          2HE       LYS  77 -14.626  -5.073   0.210
  569   1HZ   LYS  77          1HZ       LYS  77 -17.195  -5.492  -0.028
  570   2HZ   LYS  77          2HZ       LYS  77 -16.097  -6.315  -0.913
  571   3HZ   LYS  77          3HZ       LYS  77 -16.758  -7.002   0.413
  572    H    ASP  78           H        ASP  78 -11.819  -7.985   4.667
  573    HA   ASP  78           HA       ASP  78 -13.433 -10.074   5.051
  574   1HB   ASP  78          1HB       ASP  78 -10.602  -9.593   4.950
  575   2HB   ASP  78          2HB       ASP  78 -10.879 -10.690   6.288
  576    H    THR  79           H        THR  79 -11.147  -8.727   7.564
  577    HA   THR  79           HA       THR  79 -12.187 -10.236   9.686
  578    HB   THR  79           HB       THR  79  -9.920  -9.039   9.477
  579    HG1  THR  79           HG1      THR  79 -11.124  -9.842  11.492
  580   1HG2  THR  79          1HG2      THR  79 -11.080  -6.763   8.872
  581   2HG2  THR  79          2HG2      THR  79 -11.456  -6.663  10.609
  582   3HG2  THR  79          3HG2      THR  79  -9.761  -6.724  10.067
  Start of MODEL   16
    1   1H    ALA   1          1H        ALA   1 -19.324   2.061   4.607
    2    HA   ALA   1           HA       ALA   1 -20.274   0.040   2.698
    3   1HB   ALA   1          1HB       ALA   1 -22.430   1.712   3.068
    4   2HB   ALA   1          2HB       ALA   1 -22.213   0.138   3.872
    5   3HB   ALA   1          3HB       ALA   1 -21.742   1.637   4.708
    6    H    ASP   2           H        ASP   2 -18.325   1.216   1.592
    7    HA   ASP   2           HA       ASP   2 -17.767   2.416  -0.139
    8   1HB   ASP   2          1HB       ASP   2 -20.524   3.726  -0.039
    9   2HB   ASP   2          2HB       ASP   2 -19.402   3.795  -1.384
   10    H    GLN   3           H        GLN   3 -19.998   4.340   2.014
   11    HA   GLN   3           HA       GLN   3 -18.695   6.744   1.713
   12   1HB   GLN   3          1HB       GLN   3 -20.380   5.629   3.990
   13   2HB   GLN   3          2HB       GLN   3 -19.819   7.289   3.962
   14   1HG   GLN   3          1HG       GLN   3 -20.935   6.772   1.375
   15   2HG   GLN   3          2HG       GLN   3 -22.060   6.102   2.541
   16   1HE2  GLN   3          1HE2      GLN   3 -22.502   8.335   0.856
   17   2HE2  GLN   3          2HE2      GLN   3 -22.763   9.739   1.837
   18    H    LEU   4           H        LEU   4 -17.784   3.861   3.460
   19    HA   LEU   4           HA       LEU   4 -16.277   4.947   5.519
   20   1HB   LEU   4          1HB       LEU   4 -15.846   2.825   5.964
   21   2HB   LEU   4          2HB       LEU   4 -16.944   2.456   4.649
   22    HG   LEU   4           HG       LEU   4 -14.820   2.560   3.144
   23   1HD1  LEU   4          1HD1      LEU   4 -12.795   1.724   4.474
   24   2HD1  LEU   4          2HD1      LEU   4 -13.181   3.459   4.552
   25   3HD1  LEU   4          3HD1      LEU   4 -13.620   2.389   5.905
   26   1HD2  LEU   4          1HD2      LEU   4 -14.356   0.126   4.516
   27   2HD2  LEU   4          2HD2      LEU   4 -16.097   0.476   4.639
   28   3HD2  LEU   4          3HD2      LEU   4 -15.314   0.402   3.042
   29    H    THR   5           H        THR   5 -15.461   4.281   2.071
   30    HA   THR   5           HA       THR   5 -12.740   4.894   2.264
   31    HB   THR   5           HB       THR   5 -14.330   3.838   0.366
   32    HG1  THR   5           HG1      THR   5 -12.268   3.811  -0.434
   33   1HG2  THR   5          1HG2      THR   5 -14.275   5.570  -1.560
   34   2HG2  THR   5          2HG2      THR   5 -15.558   5.800  -0.347
   35   3HG2  THR   5          3HG2      THR   5 -14.095   6.812  -0.298
   36    H    GLU   6           H        GLU   6 -15.544   6.930   2.523
   37    HA   GLU   6           HA       GLU   6 -14.511   9.260   1.477
   38   1HB   GLU   6          1HB       GLU   6 -16.904   8.783   2.220
   39   2HB   GLU   6          2HB       GLU   6 -16.381   9.036   3.873
   40   1HG   GLU   6          1HG       GLU   6 -15.934  11.337   3.528
   41   2HG   GLU   6          2HG       GLU   6 -15.762  11.149   1.794
   42    H    GLU   7           H        GLU   7 -14.642   8.225   4.969
   43    HA   GLU   7           HA       GLU   7 -12.923  10.310   5.740
   44   1HB   GLU   7          1HB       GLU   7 -12.927   9.149   7.950
   45   2HB   GLU   7          2HB       GLU   7 -14.543   9.375   7.310
   46   1HG   GLU   7          1HG       GLU   7 -14.878   7.111   6.954
   47   2HG   GLU   7          2HG       GLU   7 -13.203   6.817   6.529
   48    H    GLN   8           H        GLN   8 -12.484   7.010   4.561
   49    HA   GLN   8           HA       GLN   8  -9.897   6.675   5.606
   50   1HB   GLN   8          1HB       GLN   8 -11.772   5.197   3.921
   51   2HB   GLN   8          2HB       GLN   8 -10.144   5.068   3.286
   52   1HG   GLN   8          1HG       GLN   8 -10.875   3.324   5.069
   53   2HG   GLN   8          2HG       GLN   8  -9.302   4.071   5.267
   54   1HE2  GLN   8          1HE2      GLN   8 -12.632   4.002   6.338
   55   2HE2  GLN   8          2HE2      GLN   8 -12.418   4.799   7.860
   56    H    ILE   9           H        ILE   9 -11.075   7.309   2.216
   57    HA   ILE   9           HA       ILE   9  -8.603   7.732   1.091
   58    HB   ILE   9           HB       ILE   9  -9.773   8.817  -0.694
   59   1HG1  ILE   9          1HG1      ILE   9 -12.440   8.993  -0.055
   60   2HG1  ILE   9          2HG1      ILE   9 -11.685   9.530   1.433
   61   1HG2  ILE   9          1HG2      ILE   9 -11.948   7.066  -0.413
   62   2HG2  ILE   9          2HG2      ILE   9 -10.400   6.759  -1.234
   63   3HG2  ILE   9          3HG2      ILE   9 -10.604   6.311   0.476
   64   1HD1  ILE   9          1HD1      ILE   9 -10.908  11.464   0.492
   65   2HD1  ILE   9          2HD1      ILE   9 -10.430  10.649  -1.016
   66   3HD1  ILE   9          3HD1      ILE   9 -12.124  11.136  -0.766
   67    H    ALA  10           H        ALA  10 -10.352   9.660   3.410
   68    HA   ALA  10           HA       ALA  10  -9.246  12.168   2.745
   69   1HB   ALA  10          1HB       ALA  10 -10.183  11.198   5.469
   70   2HB   ALA  10          2HB       ALA  10 -10.169  12.866   4.848
   71   3HB   ALA  10          3HB       ALA  10 -11.297  11.671   4.164
   72    H    GLU  11           H        GLU  11  -8.453   9.847   5.437
   73    HA   GLU  11           HA       GLU  11  -6.061  11.226   5.992
   74   1HB   GLU  11          1HB       GLU  11  -7.482   8.804   7.000
   75   2HB   GLU  11          2HB       GLU  11  -5.744   8.795   7.225
   76   1HG   GLU  11          1HG       GLU  11  -5.817  10.928   8.425
   77   2HG   GLU  11          2HG       GLU  11  -7.512  11.147   8.038
   78    H    PHE  12           H        PHE  12  -6.922   8.197   4.229
   79    HA   PHE  12           HA       PHE  12  -4.447   7.154   3.812
   80   1HB   PHE  12          1HB       PHE  12  -7.057   7.385   2.274
   81   2HB   PHE  12          2HB       PHE  12  -5.695   6.686   1.421
   82    HD1  PHE  12           HD1      PHE  12  -6.760   6.329   4.980
   83    HD2  PHE  12           HD2      PHE  12  -6.113   4.418   1.247
   84    HE1  PHE  12           HE1      PHE  12  -7.240   4.103   6.036
   85    HE2  PHE  12           HE2      PHE  12  -6.594   2.192   2.303
   86    HZ   PHE  12           HZ       PHE  12  -7.152   2.061   4.685
   87    H    LYS  13           H        LYS  13  -5.990   9.956   2.189
   88    HA   LYS  13           HA       LYS  13  -4.370  10.215   0.005
   89   1HB   LYS  13          1HB       LYS  13  -6.384  11.665   1.165
   90   2HB   LYS  13          2HB       LYS  13  -5.020  12.740   1.392
   91   1HG   LYS  13          1HG       LYS  13  -4.467  12.541  -1.048
   92   2HG   LYS  13          2HG       LYS  13  -5.850  11.487  -1.269
   93   1HD   LYS  13          1HD       LYS  13  -6.906  13.738   0.074
   94   2HD   LYS  13          2HD       LYS  13  -5.761  14.418  -1.066
   95   1HE   LYS  13          1HE       LYS  13  -7.231  12.327  -2.419
   96   2HE   LYS  13          2HE       LYS  13  -8.387  13.358  -1.600
   97   1HZ   LYS  13          1HZ       LYS  13  -7.070  15.243  -2.612
   98   2HZ   LYS  13          2HZ       LYS  13  -6.394  14.128  -3.594
   99   3HZ   LYS  13          3HZ       LYS  13  -8.009  14.370  -3.623
  100    H    GLU  14           H        GLU  14  -3.838  11.803   3.236
  101    HA   GLU  14           HA       GLU  14  -1.229  12.554   2.496
  102   1HB   GLU  14          1HB       GLU  14  -2.997  12.808   4.866
  103   2HB   GLU  14          2HB       GLU  14  -1.291  12.727   5.261
  104   1HG   GLU  14          1HG       GLU  14  -0.903  14.821   4.457
  105   2HG   GLU  14          2HG       GLU  14  -1.743  14.484   2.956
  106    H    ALA  15           H        ALA  15  -2.699   9.784   4.200
  107    HA   ALA  15           HA       ALA  15  -0.448   8.766   5.443
  108   1HB   ALA  15          1HB       ALA  15  -1.818   6.996   5.897
  109   2HB   ALA  15          2HB       ALA  15  -3.073   8.085   5.259
  110   3HB   ALA  15          3HB       ALA  15  -2.356   6.841   4.207
  111    H    PHE  16           H        PHE  16  -1.824   7.829   2.204
  112    HA   PHE  16           HA       PHE  16   0.058   6.115   1.377
  113   1HB   PHE  16          1HB       PHE  16  -2.060   7.513   0.295
  114   2HB   PHE  16          2HB       PHE  16  -0.744   8.344  -0.510
  115    HD1  PHE  16           HD1      PHE  16  -0.959   7.635  -2.725
  116    HD2  PHE  16           HD2      PHE  16  -0.951   4.739   0.377
  117    HE1  PHE  16           HE1      PHE  16  -0.850   5.803  -4.437
  118    HE2  PHE  16           HE2      PHE  16  -0.842   2.906  -1.335
  119    HZ   PHE  16           HZ       PHE  16  -0.792   3.460  -3.721
  120    H    SER  17           H        SER  17   0.313   9.717   1.355
  121    HA   SER  17           HA       SER  17   2.479  10.107  -0.126
  122   1HB   SER  17          1HB       SER  17   2.109  11.371   2.624
  123   2HB   SER  17          2HB       SER  17   2.965  12.067   1.262
  124    HG   SER  17           HG       SER  17   1.105  12.669   0.337
  125    H    LEU  18           H        LEU  18   2.391   8.807   3.234
  126    HA   LEU  18           HA       LEU  18   5.211   8.769   3.527
  127   1HB   LEU  18          1HB       LEU  18   2.836   7.826   5.030
  128   2HB   LEU  18          2HB       LEU  18   4.343   6.990   5.348
  129    HG   LEU  18           HG       LEU  18   3.869   9.971   5.627
  130   1HD1  LEU  18          1HD1      LEU  18   4.666   8.703   8.058
  131   2HD1  LEU  18          2HD1      LEU  18   3.151   9.560   7.682
  132   3HD1  LEU  18          3HD1      LEU  18   3.284   7.811   7.379
  133   1HD2  LEU  18          1HD2      LEU  18   6.206   9.454   6.939
  134   2HD2  LEU  18          2HD2      LEU  18   6.335   8.366   5.536
  135   3HD2  LEU  18          3HD2      LEU  18   6.081  10.110   5.289
  136    H    PHE  19           H        PHE  19   2.707   6.336   2.592
  137    HA   PHE  19           HA       PHE  19   4.426   4.169   2.415
  138   1HB   PHE  19          1HB       PHE  19   1.875   5.052   0.951
  139   2HB   PHE  19          2HB       PHE  19   2.563   3.460   0.698
  140    HD1  PHE  19           HD1      PHE  19   0.979   5.668   3.187
  141    HD2  PHE  19           HD2      PHE  19   2.288   1.727   2.316
  142    HE1  PHE  19           HE1      PHE  19  -0.273   4.810   5.187
  143    HE2  PHE  19           HE2      PHE  19   1.037   0.869   4.316
  144    HZ   PHE  19           HZ       PHE  19  -0.229   2.421   5.727
  145    H    ASP  20           H        ASP  20   3.646   6.785   0.078
  146    HA   ASP  20           HA       ASP  20   5.068   5.484  -2.007
  147   1HB   ASP  20          1HB       ASP  20   3.131   7.412  -1.936
  148   2HB   ASP  20          2HB       ASP  20   4.542   8.436  -2.108
  149    H    LYS  21           H        LYS  21   7.305   5.288  -1.574
  150    HA   LYS  21           HA       LYS  21   8.702   7.379  -0.206
  151   1HB   LYS  21          1HB       LYS  21   9.906   4.987  -1.609
  152   2HB   LYS  21          2HB       LYS  21  10.581   5.921  -0.290
  153   1HG   LYS  21          1HG       LYS  21   8.026   4.254  -0.111
  154   2HG   LYS  21          2HG       LYS  21   9.597   3.737   0.468
  155   1HD   LYS  21          1HD       LYS  21   9.669   5.545   2.114
  156   2HD   LYS  21          2HD       LYS  21   8.233   6.288   1.439
  157   1HE   LYS  21          1HE       LYS  21   6.881   4.290   2.076
  158   2HE   LYS  21          2HE       LYS  21   8.315   3.513   2.718
  159   1HZ   LYS  21          1HZ       LYS  21   8.101   4.661   4.570
  160   2HZ   LYS  21          2HZ       LYS  21   8.013   6.095   3.794
  161   3HZ   LYS  21          3HZ       LYS  21   6.658   5.218   4.044
  162    H    ASP  22           H        ASP  22   8.922   5.911  -3.527
  163    HA   ASP  22           HA       ASP  22  10.735   7.520  -4.606
  164   1HB   ASP  22          1HB       ASP  22   8.199   6.285  -5.670
  165   2HB   ASP  22          2HB       ASP  22   9.050   7.404  -6.717
  166    H    GLY  23           H        GLY  23   7.174   8.174  -4.268
  167   1HA   GLY  23          1HA       GLY  23   6.170  10.196  -3.869
  168   2HA   GLY  23          2HA       GLY  23   7.681  11.031  -4.174
  169    H    ASP  24           H        ASP  24   6.345   8.554  -6.386
  170    HA   ASP  24           HA       ASP  24   6.110  10.666  -8.361
  171   1HB   ASP  24          1HB       ASP  24   6.203   8.848 -10.024
  172   2HB   ASP  24          2HB       ASP  24   7.562   8.735  -8.923
  173    H    GLY  25           H        GLY  25   4.402   8.035  -6.633
  174   1HA   GLY  25          1HA       GLY  25   1.959   8.765  -6.383
  175   2HA   GLY  25          2HA       GLY  25   1.926   8.603  -8.128
  176    H    THR  26           H        THR  26   4.081   6.332  -7.767
  177    HA   THR  26           HA       THR  26   2.087   4.246  -7.213
  178    HB   THR  26           HB       THR  26   4.689   4.236  -8.832
  179    HG1  THR  26           HG1      THR  26   1.866   3.971  -9.563
  180   1HG2  THR  26          1HG2      THR  26   4.376   1.946  -8.322
  181   2HG2  THR  26          2HG2      THR  26   2.612   2.126  -8.167
  182   3HG2  THR  26          3HG2      THR  26   3.368   2.126  -9.778
  183    H    ILE  27           H        ILE  27   2.527   2.506  -5.839
  184    HA   ILE  27           HA       ILE  27   4.773   3.045  -4.028
  185    HB   ILE  27           HB       ILE  27   1.988   2.058  -3.623
  186   1HG1  ILE  27          1HG1      ILE  27   2.164   3.539  -1.634
  187   2HG1  ILE  27          2HG1      ILE  27   3.809   3.938  -2.090
  188   1HG2  ILE  27          1HG2      ILE  27   2.815   1.320  -1.285
  189   2HG2  ILE  27          2HG2      ILE  27   3.011   0.208  -2.660
  190   3HG2  ILE  27          3HG2      ILE  27   4.402   1.150  -2.073
  191   1HD1  ILE  27          1HD1      ILE  27   1.954   5.568  -2.856
  192   2HD1  ILE  27          2HD1      ILE  27   3.117   5.041  -4.097
  193   3HD1  ILE  27          3HD1      ILE  27   1.495   4.311  -4.029
  194    H    THR  28           H        THR  28   6.386   1.927  -5.187
  195    HA   THR  28           HA       THR  28   6.007  -0.623  -6.293
  196    HB   THR  28           HB       THR  28   8.412   1.027  -5.393
  197    HG1  THR  28           HG1      THR  28   7.426   0.022  -7.962
  198   1HG2  THR  28          1HG2      THR  28   9.489  -1.059  -5.404
  199   2HG2  THR  28          2HG2      THR  28   8.267  -1.794  -6.470
  200   3HG2  THR  28          3HG2      THR  28   9.501  -0.705  -7.149
  201    H    THR  29           H        THR  29   6.641  -2.712  -5.599
  202    HA   THR  29           HA       THR  29   5.757  -3.555  -3.221
  203    HB   THR  29           HB       THR  29   7.153  -5.546  -3.626
  204    HG1  THR  29           HG1      THR  29   8.565  -3.514  -5.191
  205   1HG2  THR  29          1HG2      THR  29   5.421  -4.656  -5.505
  206   2HG2  THR  29          2HG2      THR  29   6.927  -4.472  -6.437
  207   3HG2  THR  29          3HG2      THR  29   6.463  -6.069  -5.802
  208    H    LYS  30           H        LYS  30   8.928  -2.013  -3.809
  209    HA   LYS  30           HA       LYS  30   9.932  -2.600  -1.232
  210   1HB   LYS  30          1HB       LYS  30  10.716  -0.570  -3.339
  211   2HB   LYS  30          2HB       LYS  30  11.593  -0.789  -1.838
  212   1HG   LYS  30          1HG       LYS  30  12.013  -3.168  -2.388
  213   2HG   LYS  30          2HG       LYS  30  11.047  -3.029  -3.844
  214   1HD   LYS  30          1HD       LYS  30  12.902  -2.376  -4.970
  215   2HD   LYS  30          2HD       LYS  30  12.940  -0.913  -4.005
  216   1HE   LYS  30          1HE       LYS  30  14.478  -1.820  -2.441
  217   2HE   LYS  30          2HE       LYS  30  14.080  -3.476  -2.855
  218   1HZ   LYS  30          1HZ       LYS  30  15.282  -3.333  -4.802
  219   2HZ   LYS  30          2HZ       LYS  30  15.291  -1.700  -4.835
  220   3HZ   LYS  30          3HZ       LYS  30  16.215  -2.500  -3.753
  221    H    GLU  31           H        GLU  31   8.418   0.351  -2.706
  222    HA   GLU  31           HA       GLU  31   8.550   1.985  -0.578
  223   1HB   GLU  31          1HB       GLU  31   6.363   1.627  -2.658
  224   2HB   GLU  31          2HB       GLU  31   6.303   2.921  -1.478
  225   1HG   GLU  31          1HG       GLU  31   8.437   3.831  -2.263
  226   2HG   GLU  31          2HG       GLU  31   8.704   2.445  -3.301
  227    H    LEU  32           H        LEU  32   6.469  -0.859  -1.026
  228    HA   LEU  32           HA       LEU  32   4.681  -0.223   1.083
  229   1HB   LEU  32          1HB       LEU  32   4.225  -1.718  -0.869
  230   2HB   LEU  32          2HB       LEU  32   5.298  -2.907  -0.156
  231    HG   LEU  32           HG       LEU  32   2.697  -1.884   1.012
  232   1HD1  LEU  32          1HD1      LEU  32   1.743  -3.516  -0.144
  233   2HD1  LEU  32          2HD1      LEU  32   3.321  -4.020  -0.795
  234   3HD1  LEU  32          3HD1      LEU  32   2.734  -4.701   0.741
  235   1HD2  LEU  32          1HD2      LEU  32   4.865  -3.590   2.206
  236   2HD2  LEU  32          2HD2      LEU  32   3.965  -2.232   2.922
  237   3HD2  LEU  32          3HD2      LEU  32   3.166  -3.805   2.690
  238    H    GLY  33           H        GLY  33   7.539  -2.438   0.775
  239   1HA   GLY  33          1HA       GLY  33   7.501  -3.177   3.524
  240   2HA   GLY  33          2HA       GLY  33   8.781  -3.457   2.360
  241    H    THR  34           H        THR  34   8.617  -0.358   1.761
  242    HA   THR  34           HA       THR  34  10.757   0.332   3.493
  243    HB   THR  34           HB       THR  34   9.029   2.023   1.608
  244    HG1  THR  34           HG1      THR  34  11.617   0.676   1.309
  245   1HG2  THR  34          1HG2      THR  34  10.397   3.712   2.356
  246   2HG2  THR  34          2HG2      THR  34  11.442   2.573   3.240
  247   3HG2  THR  34          3HG2      THR  34  11.701   2.854   1.501
  248    H    VAL  35           H        VAL  35   7.291   1.357   3.306
  249    HA   VAL  35           HA       VAL  35   7.550   3.022   5.592
  250    HB   VAL  35           HB       VAL  35   5.916   3.236   3.684
  251   1HG1  VAL  35          1HG1      VAL  35   5.215   0.867   3.603
  252   2HG1  VAL  35          2HG1      VAL  35   4.430   1.057   5.190
  253   3HG1  VAL  35          3HG1      VAL  35   3.832   1.973   3.786
  254   1HG2  VAL  35          1HG2      VAL  35   4.999   3.301   6.569
  255   2HG2  VAL  35          2HG2      VAL  35   5.597   4.644   5.564
  256   3HG2  VAL  35          3HG2      VAL  35   4.005   3.921   5.228
  257    H    MET  36           H        MET  36   6.081  -0.241   4.979
  258    HA   MET  36           HA       MET  36   5.092  -0.805   7.373
  259   1HB   MET  36          1HB       MET  36   6.790  -2.546   5.511
  260   2HB   MET  36          2HB       MET  36   5.928  -3.225   6.877
  261   1HG   MET  36          1HG       MET  36   4.509  -1.536   4.773
  262   2HG   MET  36          2HG       MET  36   4.725  -3.263   4.573
  263   1HE   MET  36          1HE       MET  36   4.061  -4.979   6.058
  264   2HE   MET  36          2HE       MET  36   2.597  -4.954   7.070
  265   3HE   MET  36          3HE       MET  36   2.464  -4.752   5.306
  266    H    ARG  37           H        ARG  37   8.545  -1.543   6.471
  267    HA   ARG  37           HA       ARG  37   9.267  -2.322   9.004
  268   1HB   ARG  37          1HB       ARG  37  11.634  -1.859   8.191
  269   2HB   ARG  37          2HB       ARG  37  10.684  -2.847   7.099
  270   1HG   ARG  37          1HG       ARG  37  11.398  -1.337   5.523
  271   2HG   ARG  37          2HG       ARG  37  10.053  -0.381   6.114
  272   1HD   ARG  37          1HD       ARG  37  11.434   1.052   7.373
  273   2HD   ARG  37          2HD       ARG  37  12.700  -0.146   7.552
  274    HE   ARG  37           HE       ARG  37  12.605   0.337   4.805
  275   1HH1  ARG  37          2HH2      ARG  37  13.069   2.324   7.672
  276   2HH1  ARG  37          1HH2      ARG  37  14.056   3.492   6.858
  277   1HH2  ARG  37          2HH1      ARG  37  13.906   1.878   3.731
  278   2HH2  ARG  37          1HH1      ARG  37  14.535   3.237   4.602
  279    H    SER  38           H        SER  38   9.037   0.891   7.465
  280    HA   SER  38           HA       SER  38  10.606   2.297   9.243
  281   1HB   SER  38          1HB       SER  38   9.498   3.017   6.992
  282   2HB   SER  38          2HB       SER  38   8.094   3.422   7.959
  283    HG   SER  38           HG       SER  38   9.059   5.231   8.548
  284    H    LEU  39           H        LEU  39   7.444   0.825   9.581
  285    HA   LEU  39           HA       LEU  39   6.760   2.486  11.861
  286   1HB   LEU  39          1HB       LEU  39   5.329   0.286  10.376
  287   2HB   LEU  39          2HB       LEU  39   4.714   0.993  11.857
  288    HG   LEU  39           HG       LEU  39   5.417   2.897   9.682
  289   1HD1  LEU  39          1HD1      LEU  39   3.044   1.024   9.492
  290   2HD1  LEU  39          2HD1      LEU  39   3.244   2.515   8.541
  291   3HD1  LEU  39          3HD1      LEU  39   4.398   1.174   8.346
  292   1HD2  LEU  39          1HD2      LEU  39   3.359   2.664  11.857
  293   2HD2  LEU  39          2HD2      LEU  39   4.532   3.963  11.533
  294   3HD2  LEU  39          3HD2      LEU  39   3.103   3.773  10.489
  295    H    GLY  40           H        GLY  40   9.206   1.141  12.198
  296   1HA   GLY  40          1HA       GLY  40  10.136   0.106  14.014
  297   2HA   GLY  40          2HA       GLY  40   8.559  -0.460  14.525
  298    H    GLN  41           H        GLN  41   7.563  -1.891  12.389
  299    HA   GLN  41           HA       GLN  41   8.763  -4.302  12.650
  300   1HB   GLN  41          1HB       GLN  41   7.033  -3.168  10.420
  301   2HB   GLN  41          2HB       GLN  41   7.526  -4.849  10.440
  302   1HG   GLN  41          1HG       GLN  41   5.877  -3.394  12.554
  303   2HG   GLN  41          2HG       GLN  41   5.337  -4.686  11.500
  304   1HE2  GLN  41          1HE2      GLN  41   5.411  -4.453  14.429
  305   2HE2  GLN  41          2HE2      GLN  41   6.294  -5.819  15.024
  306    H    ASN  42           H        ASN  42   9.434  -5.573  10.360
  307    HA   ASN  42           HA       ASN  42  11.142  -4.023   8.736
  308   1HB   ASN  42          1HB       ASN  42  12.393  -4.569  11.052
  309   2HB   ASN  42          2HB       ASN  42  12.623  -6.144  10.320
  310   1HD2  ASN  42          1HD2      ASN  42  12.916  -2.672   9.614
  311   2HD2  ASN  42          2HD2      ASN  42  14.361  -2.758   8.663
  312    HA   PRO  43           HA       PRO  43   9.629  -8.173   7.365
  313   1HB   PRO  43          1HB       PRO  43   7.785  -7.380   5.510
  314   2HB   PRO  43          2HB       PRO  43   7.366  -7.800   7.159
  315   1HG   PRO  43          1HG       PRO  43   7.537  -5.124   5.913
  316   2HG   PRO  43          2HG       PRO  43   6.728  -5.596   7.395
  317   1HD   PRO  43          1HD       PRO  43   9.235  -4.220   7.171
  318   2HD   PRO  43          2HD       PRO  43   8.483  -4.794   8.646
  319    H    THR  44           H        THR  44   9.569  -9.167   5.075
  320    HA   THR  44           HA       THR  44  11.772  -7.831   3.654
  321    HB   THR  44           HB       THR  44  11.868 -10.316   2.687
  322    HG1  THR  44           HG1      THR  44  10.258 -11.449   3.704
  323   1HG2  THR  44          1HG2      THR  44  13.224 -11.069   4.628
  324   2HG2  THR  44          2HG2      THR  44  13.610  -9.374   4.244
  325   3HG2  THR  44          3HG2      THR  44  12.549  -9.756   5.622
  326    H    GLU  45           H        GLU  45  11.674  -7.416   1.456
  327    HA   GLU  45           HA       GLU  45   9.180  -6.778   0.488
  328   1HB   GLU  45          1HB       GLU  45  10.332  -6.338  -1.644
  329   2HB   GLU  45          2HB       GLU  45  11.288  -5.747  -0.300
  330   1HG   GLU  45          1HG       GLU  45  13.022  -6.966  -1.110
  331   2HG   GLU  45          2HG       GLU  45  12.159  -8.404  -0.602
  332    H    ALA  46           H        ALA  46  10.821  -9.838   0.643
  333    HA   ALA  46           HA       ALA  46   9.701 -11.054  -1.637
  334   1HB   ALA  46          1HB       ALA  46  10.153 -13.087   0.171
  335   2HB   ALA  46          2HB       ALA  46  11.385 -12.383  -0.905
  336   3HB   ALA  46          3HB       ALA  46  11.235 -11.808   0.773
  337    H    GLU  47           H        GLU  47   8.823 -11.324   1.887
  338    HA   GLU  47           HA       GLU  47   6.545 -12.774   1.482
  339   1HB   GLU  47          1HB       GLU  47   7.481 -10.892   3.651
  340   2HB   GLU  47          2HB       GLU  47   5.849 -11.526   3.730
  341   1HG   GLU  47          1HG       GLU  47   7.510 -13.755   3.089
  342   2HG   GLU  47          2HG       GLU  47   8.368 -12.869   4.334
  343    H    LEU  48           H        LEU  48   7.065  -9.212   1.418
  344    HA   LEU  48           HA       LEU  48   4.304  -8.604   1.182
  345   1HB   LEU  48          1HB       LEU  48   6.871  -7.085   0.834
  346   2HB   LEU  48          2HB       LEU  48   5.339  -6.368   0.376
  347    HG   LEU  48           HG       LEU  48   5.995  -5.655   2.600
  348   1HD1  LEU  48          1HD1      LEU  48   3.950  -6.117   3.790
  349   2HD1  LEU  48          2HD1      LEU  48   3.590  -5.936   2.057
  350   3HD1  LEU  48          3HD1      LEU  48   3.644  -7.557   2.790
  351   1HD2  LEU  48          1HD2      LEU  48   6.059  -7.292   4.483
  352   2HD2  LEU  48          2HD2      LEU  48   6.020  -8.605   3.282
  353   3HD2  LEU  48          3HD2      LEU  48   7.389  -7.469   3.314
  354    H    GLN  49           H        GLN  49   6.814  -9.710  -1.002
  355    HA   GLN  49           HA       GLN  49   5.935  -8.633  -3.356
  356   1HB   GLN  49          1HB       GLN  49   8.032 -10.049  -2.876
  357   2HB   GLN  49          2HB       GLN  49   7.014 -11.464  -3.057
  358   1HG   GLN  49          1HG       GLN  49   6.410 -10.782  -5.359
  359   2HG   GLN  49          2HG       GLN  49   7.313  -9.291  -5.184
  360   1HE2  GLN  49          1HE2      GLN  49   8.298 -10.213  -7.167
  361   2HE2  GLN  49          2HE2      GLN  49   9.686 -11.237  -7.008
  362    H    ASP  50           H        ASP  50   4.692 -11.399  -1.458
  363    HA   ASP  50           HA       ASP  50   3.043 -12.371  -3.504
  364   1HB   ASP  50          1HB       ASP  50   3.804 -13.624  -1.425
  365   2HB   ASP  50          2HB       ASP  50   2.706 -12.639  -0.480
  366    H    MET  51           H        MET  51   2.798  -9.897  -0.940
  367    HA   MET  51           HA       MET  51  -0.001  -9.674  -1.015
  368   1HB   MET  51          1HB       MET  51   2.267  -7.846  -0.070
  369   2HB   MET  51          2HB       MET  51   0.583  -7.404   0.130
  370   1HG   MET  51          1HG       MET  51   0.957 -10.133   1.063
  371   2HG   MET  51          2HG       MET  51   2.160  -9.105   1.816
  372   1HE   MET  51          1HE       MET  51  -1.080 -10.399   1.515
  373   2HE   MET  51          2HE       MET  51  -2.040  -9.694   2.838
  374   3HE   MET  51          3HE       MET  51  -2.058  -8.940   1.225
  375    H    ILE  52           H        ILE  52   2.635  -7.498  -2.276
  376    HA   ILE  52           HA       ILE  52   1.054  -5.691  -3.566
  377    HB   ILE  52           HB       ILE  52   2.998  -5.251  -4.982
  378   1HG1  ILE  52          1HG1      ILE  52   5.071  -6.773  -4.272
  379   2HG1  ILE  52          2HG1      ILE  52   3.813  -7.973  -4.050
  380   1HG2  ILE  52          1HG2      ILE  52   4.690  -5.208  -2.916
  381   2HG2  ILE  52          2HG2      ILE  52   3.299  -4.105  -3.046
  382   3HG2  ILE  52          3HG2      ILE  52   3.189  -5.562  -2.029
  383   1HD1  ILE  52          1HD1      ILE  52   4.709  -6.599  -6.573
  384   2HD1  ILE  52          2HD1      ILE  52   4.277  -8.304  -6.303
  385   3HD1  ILE  52          3HD1      ILE  52   2.999  -7.074  -6.444
  386    H    ASN  53           H        ASN  53   2.246  -8.882  -4.778
  387    HA   ASN  53           HA       ASN  53   1.265  -8.643  -7.321
  388   1HB   ASN  53          1HB       ASN  53   2.192 -10.795  -5.537
  389   2HB   ASN  53          2HB       ASN  53   0.911 -11.367  -6.588
  390   1HD2  ASN  53          1HD2      ASN  53   3.851 -11.852  -6.472
  391   2HD2  ASN  53          2HD2      ASN  53   4.457 -11.544  -8.065
  392    H    GLU  54           H        GLU  54  -0.285  -9.531  -4.212
  393    HA   GLU  54           HA       GLU  54  -2.643 -10.528  -5.373
  394   1HB   GLU  54          1HB       GLU  54  -1.957 -11.178  -3.111
  395   2HB   GLU  54          2HB       GLU  54  -2.027  -9.515  -2.564
  396   1HG   GLU  54          1HG       GLU  54  -4.139 -10.101  -1.878
  397   2HG   GLU  54          2HG       GLU  54  -4.562  -9.752  -3.543
  398    H    VAL  55           H        VAL  55  -1.938  -7.445  -3.564
  399    HA   VAL  55           HA       VAL  55  -4.396  -6.264  -4.105
  400    HB   VAL  55           HB       VAL  55  -3.418  -4.277  -3.295
  401   1HG1  VAL  55          1HG1      VAL  55  -3.548  -6.293  -1.735
  402   2HG1  VAL  55          2HG1      VAL  55  -1.786  -6.439  -1.942
  403   3HG1  VAL  55          3HG1      VAL  55  -2.479  -4.962  -1.230
  404   1HG2  VAL  55          1HG2      VAL  55  -1.073  -5.196  -4.719
  405   2HG2  VAL  55          2HG2      VAL  55  -1.468  -3.568  -4.116
  406   3HG2  VAL  55          3HG2      VAL  55  -0.649  -4.737  -3.052
  407    H    ASP  56           H        ASP  56  -1.493  -6.707  -6.075
  408    HA   ASP  56           HA       ASP  56  -1.951  -4.648  -7.869
  409   1HB   ASP  56          1HB       ASP  56   0.175  -5.885  -7.762
  410   2HB   ASP  56          2HB       ASP  56  -0.626  -7.377  -8.213
  411    H    ALA  57           H        ALA  57  -3.888  -4.449  -9.019
  412    HA   ALA  57           HA       ALA  57  -5.175  -6.920  -9.924
  413   1HB   ALA  57          1HB       ALA  57  -6.133  -4.102  -9.357
  414   2HB   ALA  57          2HB       ALA  57  -7.106  -5.240 -10.320
  415   3HB   ALA  57          3HB       ALA  57  -6.684  -5.634  -8.636
  416    H    ASP  58           H        ASP  58  -4.299  -3.568 -11.018
  417    HA   ASP  58           HA       ASP  58  -4.995  -3.634 -13.553
  418   1HB   ASP  58          1HB       ASP  58  -2.598  -2.500 -13.946
  419   2HB   ASP  58          2HB       ASP  58  -3.853  -1.689 -13.031
  420    H    GLY  59           H        GLY  59  -2.423  -5.540 -11.990
  421   1HA   GLY  59          1HA       GLY  59  -1.574  -7.533 -12.784
  422   2HA   GLY  59          2HA       GLY  59  -2.132  -7.152 -14.401
  423    H    ASP  60           H        ASP  60   0.485  -6.832 -12.058
  424    HA   ASP  60           HA       ASP  60   2.357  -6.462 -14.064
  425   1HB   ASP  60          1HB       ASP  60   2.988  -4.087 -12.756
  426   2HB   ASP  60          2HB       ASP  60   2.273  -4.207 -14.351
  427    H    GLY  61           H        GLY  61   1.700  -5.236 -10.685
  428   1HA   GLY  61          1HA       GLY  61   2.573  -6.763  -8.909
  429   2HA   GLY  61          2HA       GLY  61   4.097  -6.710  -9.772
  430    H    THR  62           H        THR  62   1.699  -4.060  -9.156
  431    HA   THR  62           HA       THR  62   3.592  -2.805  -7.328
  432    HB   THR  62           HB       THR  62   2.489  -1.365  -9.792
  433    HG1  THR  62           HG1      THR  62   4.884  -1.682 -10.358
  434   1HG2  THR  62          1HG2      THR  62   4.733  -0.758  -7.795
  435   2HG2  THR  62          2HG2      THR  62   4.422   0.176  -9.278
  436   3HG2  THR  62          3HG2      THR  62   3.214   0.154  -7.971
  437    H    ILE  63           H        ILE  63   2.574  -0.741  -6.372
  438    HA   ILE  63           HA       ILE  63  -0.250  -1.379  -5.893
  439    HB   ILE  63           HB       ILE  63   1.664   0.140  -4.120
  440   1HG1  ILE  63          1HG1      ILE  63   0.969  -2.793  -4.230
  441   2HG1  ILE  63          2HG1      ILE  63   2.552  -2.041  -4.194
  442   1HG2  ILE  63          1HG2      ILE  63  -0.512   0.808  -3.565
  443   2HG2  ILE  63          2HG2      ILE  63  -1.175  -0.827  -3.798
  444   3HG2  ILE  63          3HG2      ILE  63  -0.128  -0.482  -2.401
  445   1HD1  ILE  63          1HD1      ILE  63   0.587  -2.445  -1.942
  446   2HD1  ILE  63          2HD1      ILE  63   2.346  -2.718  -1.970
  447   3HD1  ILE  63          3HD1      ILE  63   1.704  -1.061  -1.863
  448    H    ASP  64           H        ASP  64  -1.533   0.699  -5.190
  449    HA   ASP  64           HA       ASP  64  -0.609   3.082  -6.432
  450   1HB   ASP  64          1HB       ASP  64  -1.698   1.516  -8.259
  451   2HB   ASP  64          2HB       ASP  64  -3.217   1.947  -7.498
  452    H    PHE  65           H        PHE  65  -2.489   4.824  -6.218
  453    HA   PHE  65           HA       PHE  65  -3.327   4.940  -3.614
  454   1HB   PHE  65          1HB       PHE  65  -3.528   6.387  -6.100
  455   2HB   PHE  65          2HB       PHE  65  -5.168   6.264  -5.495
  456    HD1  PHE  65           HD1      PHE  65  -4.664   6.410  -2.559
  457    HD2  PHE  65           HD2      PHE  65  -3.007   8.638  -5.768
  458    HE1  PHE  65           HE1      PHE  65  -4.236   8.333  -1.004
  459    HE2  PHE  65           HE2      PHE  65  -2.579  10.561  -4.213
  460    HZ   PHE  65           HZ       PHE  65  -3.199  10.385  -1.849
  461    HA   PRO  66           HA       PRO  66  -7.526   3.280  -5.040
  462   1HB   PRO  66          1HB       PRO  66  -7.822   2.253  -7.555
  463   2HB   PRO  66          2HB       PRO  66  -8.239   3.903  -7.139
  464   1HG   PRO  66          1HG       PRO  66  -5.899   2.907  -8.645
  465   2HG   PRO  66          2HG       PRO  66  -6.554   4.531  -8.582
  466   1HD   PRO  66          1HD       PRO  66  -4.216   3.571  -7.226
  467   2HD   PRO  66          2HD       PRO  66  -4.938   5.160  -7.073
  468    H    GLU  67           H        GLU  67  -4.699   1.631  -6.151
  469    HA   GLU  67           HA       GLU  67  -5.826  -0.927  -5.893
  470   1HB   GLU  67          1HB       GLU  67  -3.057   0.204  -6.233
  471   2HB   GLU  67          2HB       GLU  67  -3.198  -1.463  -5.711
  472   1HG   GLU  67          1HG       GLU  67  -4.738  -1.898  -7.678
  473   2HG   GLU  67          2HG       GLU  67  -4.453  -0.256  -8.221
  474    H    PHE  68           H        PHE  68  -3.525   0.978  -3.815
  475    HA   PHE  68           HA       PHE  68  -3.368  -0.865  -1.763
  476   1HB   PHE  68          1HB       PHE  68  -2.269   1.554  -2.403
  477   2HB   PHE  68          2HB       PHE  68  -3.464   2.131  -1.259
  478    HD1  PHE  68           HD1      PHE  68  -2.150   2.824   0.545
  479    HD2  PHE  68           HD2      PHE  68  -1.526  -1.037  -1.102
  480    HE1  PHE  68           HE1      PHE  68  -0.604   2.264   2.442
  481    HE2  PHE  68           HE2      PHE  68   0.020  -1.597   0.794
  482    HZ   PHE  68           HZ       PHE  68   0.462   0.061   2.544
  483    H    LEU  69           H        LEU  69  -5.607   1.961  -2.178
  484    HA   LEU  69           HA       LEU  69  -6.903   1.974   0.162
  485   1HB   LEU  69          1HB       LEU  69  -7.311   2.996  -2.370
  486   2HB   LEU  69          2HB       LEU  69  -8.759   2.048  -2.095
  487    HG   LEU  69           HG       LEU  69  -7.755   4.114  -0.126
  488   1HD1  LEU  69          1HD1      LEU  69  -8.594   4.715  -2.677
  489   2HD1  LEU  69          2HD1      LEU  69 -10.092   4.860  -1.726
  490   3HD1  LEU  69          3HD1      LEU  69  -8.654   5.806  -1.273
  491   1HD2  LEU  69          1HD2      LEU  69 -10.408   3.995   0.261
  492   2HD2  LEU  69          2HD2      LEU  69 -10.123   2.332  -0.306
  493   3HD2  LEU  69          3HD2      LEU  69  -9.247   2.951   1.115
  494    H    THR  70           H        THR  70  -7.475  -0.360  -2.540
  495    HA   THR  70           HA       THR  70  -9.551  -1.738  -1.217
  496    HB   THR  70           HB       THR  70  -7.634  -2.372  -3.510
  497    HG1  THR  70           HG1      THR  70  -9.499  -0.710  -3.459
  498   1HG2  THR  70          1HG2      THR  70  -8.534  -4.503  -2.387
  499   2HG2  THR  70          2HG2      THR  70 -10.171  -3.896  -2.735
  500   3HG2  THR  70          3HG2      THR  70  -9.056  -4.268  -4.072
  501    H    MET  71           H        MET  71  -5.985  -2.261  -1.381
  502    HA   MET  71           HA       MET  71  -5.926  -4.663  -0.101
  503   1HB   MET  71          1HB       MET  71  -3.944  -3.591  -1.126
  504   2HB   MET  71          2HB       MET  71  -4.013  -2.269   0.022
  505   1HG   MET  71          1HG       MET  71  -2.262  -4.010   0.583
  506   2HG   MET  71          2HG       MET  71  -3.411  -3.729   1.876
  507   1HE   MET  71          1HE       MET  71  -3.563  -7.222   2.777
  508   2HE   MET  71          2HE       MET  71  -1.974  -6.730   2.145
  509   3HE   MET  71          3HE       MET  71  -2.963  -5.571   3.065
  510    H    MET  72           H        MET  72  -5.468  -1.393   1.441
  511    HA   MET  72           HA       MET  72  -5.425  -2.351   4.020
  512   1HB   MET  72          1HB       MET  72  -5.739   0.243   2.605
  513   2HB   MET  72          2HB       MET  72  -6.561   0.232   4.153
  514   1HG   MET  72          1HG       MET  72  -3.753  -0.870   4.055
  515   2HG   MET  72          2HG       MET  72  -3.949   0.868   3.939
  516   1HE   MET  72          1HE       MET  72  -3.076   1.801   6.006
  517   2HE   MET  72          2HE       MET  72  -3.198   1.059   7.619
  518   3HE   MET  72          3HE       MET  72  -2.321   0.220   6.317
  519    H    ALA  73           H        ALA  73  -8.188  -0.753   2.263
  520    HA   ALA  73           HA       ALA  73 -10.100  -0.976   4.168
  521   1HB   ALA  73          1HB       ALA  73 -10.447   0.175   2.059
  522   2HB   ALA  73          2HB       ALA  73 -10.309  -1.352   1.155
  523   3HB   ALA  73          3HB       ALA  73 -11.699  -1.078   2.232
  524    H    ARG  74           H        ARG  74  -9.300  -3.473   1.647
  525    HA   ARG  74           HA       ARG  74 -11.098  -5.324   2.604
  526   1HB   ARG  74          1HB       ARG  74  -8.515  -5.567   1.005
  527   2HB   ARG  74          2HB       ARG  74  -9.461  -6.987   1.403
  528   1HG   ARG  74          1HG       ARG  74 -10.787  -4.582   0.106
  529   2HG   ARG  74          2HG       ARG  74  -9.915  -5.745  -0.873
  530   1HD   ARG  74          1HD       ARG  74 -11.380  -7.535   0.448
  531   2HD   ARG  74          2HD       ARG  74 -12.421  -6.165   0.778
  532    HE   ARG  74           HE       ARG  74 -12.044  -5.934  -1.929
  533   1HH1  ARG  74          2HH2      ARG  74 -12.971  -8.653   0.103
  534   2HH1  ARG  74          1HH2      ARG  74 -13.909  -9.422  -1.133
  535   1HH2  ARG  74          2HH1      ARG  74 -13.282  -6.947  -3.560
  536   2HH2  ARG  74          1HH1      ARG  74 -14.088  -8.445  -3.231
  537    H    LYS  75           H        LYS  75  -7.788  -4.456   3.593
  538    HA   LYS  75           HA       LYS  75  -7.150  -6.768   5.010
  539   1HB   LYS  75          1HB       LYS  75  -5.640  -4.843   4.299
  540   2HB   LYS  75          2HB       LYS  75  -6.248  -3.960   5.684
  541   1HG   LYS  75          1HG       LYS  75  -4.250  -5.034   6.452
  542   2HG   LYS  75          2HG       LYS  75  -5.566  -5.970   7.133
  543   1HD   LYS  75          1HD       LYS  75  -4.646  -6.858   4.431
  544   2HD   LYS  75          2HD       LYS  75  -3.472  -7.055   5.717
  545   1HE   LYS  75          1HE       LYS  75  -5.722  -8.014   6.972
  546   2HE   LYS  75          2HE       LYS  75  -6.094  -8.436   5.313
  547   1HZ   LYS  75          1HZ       LYS  75  -3.444  -9.032   6.357
  548   2HZ   LYS  75          2HZ       LYS  75  -4.692 -10.008   6.754
  549   3HZ   LYS  75          3HZ       LYS  75  -4.287  -9.797   5.186
  550    H    MET  76           H        MET  76  -8.457  -3.607   6.251
  551    HA   MET  76           HA       MET  76  -8.881  -4.555   8.807
  552   1HB   MET  76          1HB       MET  76 -10.262  -2.513   9.057
  553   2HB   MET  76          2HB       MET  76  -8.863  -2.136   8.072
  554   1HG   MET  76          1HG       MET  76 -10.119  -1.831   6.148
  555   2HG   MET  76          2HG       MET  76 -11.264  -3.091   6.562
  556   1HE   MET  76          1HE       MET  76 -12.634  -0.183   5.483
  557   2HE   MET  76          2HE       MET  76 -13.037  -1.902   5.715
  558   3HE   MET  76          3HE       MET  76 -13.972  -0.646   6.562
  559    H    LYS  77           H        LYS  77 -10.610  -5.170   5.846
  560    HA   LYS  77           HA       LYS  77 -13.187  -5.538   6.837
  561   1HB   LYS  77          1HB       LYS  77 -12.250  -5.444   4.404
  562   2HB   LYS  77          2HB       LYS  77 -12.032  -7.172   4.587
  563   1HG   LYS  77          1HG       LYS  77 -14.214  -6.962   3.664
  564   2HG   LYS  77          2HG       LYS  77 -14.500  -7.259   5.367
  565   1HD   LYS  77          1HD       LYS  77 -15.937  -5.430   4.809
  566   2HD   LYS  77          2HD       LYS  77 -14.600  -4.706   5.681
  567   1HE   LYS  77          1HE       LYS  77 -14.379  -3.304   3.900
  568   2HE   LYS  77          2HE       LYS  77 -13.673  -4.664   3.050
  569   1HZ   LYS  77          1HZ       LYS  77 -16.499  -3.871   3.041
  570   2HZ   LYS  77          2HZ       LYS  77 -15.460  -3.836   1.782
  571   3HZ   LYS  77          3HZ       LYS  77 -15.957  -5.267   2.389
  572    H    ASP  78           H        ASP  78 -10.555  -7.981   6.259
  573    HA   ASP  78           HA       ASP  78 -11.876 -10.123   7.253
  574   1HB   ASP  78          1HB       ASP  78  -9.041  -9.306   6.905
  575   2HB   ASP  78          2HB       ASP  78  -9.264 -10.534   8.134
  576    H    THR  79           H        THR  79  -9.542  -7.927   9.005
  577    HA   THR  79           HA       THR  79  -9.896  -9.046  11.533
  578    HB   THR  79           HB       THR  79  -8.839  -6.891  12.262
  579    HG1  THR  79           HG1      THR  79 -10.254  -5.748  10.567
  580   1HG2  THR  79          1HG2      THR  79  -6.834  -7.471  11.320
  581   2HG2  THR  79          2HG2      THR  79  -7.726  -8.701  10.391
  582   3HG2  THR  79          3HG2      THR  79  -7.432  -7.092   9.687
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1 -15.472   0.485   4.495
    2    HA   ALA   1           HA       ALA   1 -15.041   1.406   2.464
    3   1HB   ALA   1          1HB       ALA   1 -14.486  -0.993   1.669
    4   2HB   ALA   1          2HB       ALA   1 -16.161  -1.041   1.071
    5   3HB   ALA   1          3HB       ALA   1 -15.027   0.178   0.442
    6    H    ASP   2           H        ASP   2 -16.739   1.549   0.243
    7    HA   ASP   2           HA       ASP   2 -18.752   2.070  -0.448
    8   1HB   ASP   2          1HB       ASP   2 -19.424   0.379   1.656
    9   2HB   ASP   2          2HB       ASP   2 -20.221   1.867   2.129
   10    H    GLN   3           H        GLN   3 -18.200   2.963   3.038
   11    HA   GLN   3           HA       GLN   3 -18.631   5.732   2.249
   12   1HB   GLN   3          1HB       GLN   3 -19.719   6.106   4.500
   13   2HB   GLN   3          2HB       GLN   3 -20.655   5.107   3.407
   14   1HG   GLN   3          1HG       GLN   3 -19.988   3.070   4.546
   15   2HG   GLN   3          2HG       GLN   3 -18.755   3.908   5.467
   16   1HE2  GLN   3          1HE2      GLN   3 -19.782   2.983   7.319
   17   2HE2  GLN   3          2HE2      GLN   3 -21.168   3.732   8.040
   18    H    LEU   4           H        LEU   4 -17.153   3.338   4.482
   19    HA   LEU   4           HA       LEU   4 -15.672   5.076   6.036
   20   1HB   LEU   4          1HB       LEU   4 -15.599   3.010   6.901
   21   2HB   LEU   4          2HB       LEU   4 -15.641   2.221   5.337
   22    HG   LEU   4           HG       LEU   4 -13.196   2.884   5.067
   23   1HD1  LEU   4          1HD1      LEU   4 -12.065   3.136   7.394
   24   2HD1  LEU   4          2HD1      LEU   4 -12.777   4.563   6.604
   25   3HD1  LEU   4          3HD1      LEU   4 -13.659   3.737   7.911
   26   1HD2  LEU   4          1HD2      LEU   4 -14.098   0.921   7.182
   27   2HD2  LEU   4          2HD2      LEU   4 -13.718   0.609   5.471
   28   3HD2  LEU   4          3HD2      LEU   4 -12.417   1.036   6.608
   29    H    THR   5           H        THR   5 -15.221   3.970   2.690
   30    HA   THR   5           HA       THR   5 -12.555   4.482   2.307
   31    HB   THR   5           HB       THR   5 -14.806   3.835   0.775
   32    HG1  THR   5           HG1      THR   5 -12.093   4.714   0.067
   33   1HG2  THR   5          1HG2      THR   5 -13.556   6.455  -0.212
   34   2HG2  THR   5          2HG2      THR   5 -14.601   5.394  -1.187
   35   3HG2  THR   5          3HG2      THR   5 -15.262   6.224   0.242
   36    H    GLU   6           H        GLU   6 -15.214   6.793   2.776
   37    HA   GLU   6           HA       GLU   6 -13.812   9.001   1.805
   38   1HB   GLU   6          1HB       GLU   6 -16.379   8.575   2.525
   39   2HB   GLU   6          2HB       GLU   6 -15.831   9.337   4.005
   40   1HG   GLU   6          1HG       GLU   6 -14.872  11.229   2.569
   41   2HG   GLU   6          2HG       GLU   6 -15.665  10.498   1.188
   42    H    GLU   7           H        GLU   7 -14.139   7.513   5.075
   43    HA   GLU   7           HA       GLU   7 -12.702   9.549   6.359
   44   1HB   GLU   7          1HB       GLU   7 -12.845   6.716   7.410
   45   2HB   GLU   7          2HB       GLU   7 -12.903   8.222   8.304
   46   1HG   GLU   7          1HG       GLU   7 -15.115   8.412   6.584
   47   2HG   GLU   7          2HG       GLU   7 -15.099   6.717   7.029
   48    H    GLN   8           H        GLN   8 -11.831   6.323   4.992
   49    HA   GLN   8           HA       GLN   8  -9.193   6.403   5.907
   50   1HB   GLN   8          1HB       GLN   8 -10.682   4.816   3.806
   51   2HB   GLN   8          2HB       GLN   8  -8.939   4.673   3.917
   52   1HG   GLN   8          1HG       GLN   8 -10.830   4.271   6.282
   53   2HG   GLN   8          2HG       GLN   8 -10.220   2.962   5.290
   54   1HE2  GLN   8          1HE2      GLN   8  -7.895   2.691   5.115
   55   2HE2  GLN   8          2HE2      GLN   8  -6.874   3.072   6.461
   56    H    ILE   9           H        ILE   9 -10.612   6.991   2.606
   57    HA   ILE   9           HA       ILE   9  -8.401   7.653   1.233
   58    HB   ILE   9           HB       ILE   9 -11.186   8.775   1.177
   59   1HG1  ILE   9          1HG1      ILE   9 -10.604   6.369   0.521
   60   2HG1  ILE   9          2HG1      ILE   9 -11.550   7.317  -0.609
   61   1HG2  ILE   9          1HG2      ILE   9  -9.040   9.377  -0.873
   62   2HG2  ILE   9          2HG2      ILE   9 -10.725   9.952  -0.857
   63   3HG2  ILE   9          3HG2      ILE   9  -9.580  10.517   0.383
   64   1HD1  ILE   9          1HD1      ILE   9  -9.709   7.655  -2.075
   65   2HD1  ILE   9          2HD1      ILE   9  -8.521   7.232  -0.818
   66   3HD1  ILE   9          3HD1      ILE   9  -9.535   5.964  -1.548
   67    H    ALA  10           H        ALA  10 -10.204   9.776   3.532
   68    HA   ALA  10           HA       ALA  10  -8.849  12.115   3.117
   69   1HB   ALA  10          1HB       ALA  10  -9.377  12.492   5.600
   70   2HB   ALA  10          2HB       ALA  10 -10.752  12.073   4.551
   71   3HB   ALA  10          3HB       ALA  10 -10.028  10.835   5.605
   72    H    GLU  11           H        GLU  11  -7.988   9.429   5.410
   73    HA   GLU  11           HA       GLU  11  -5.580  10.678   6.136
   74   1HB   GLU  11          1HB       GLU  11  -6.606   7.829   6.466
   75   2HB   GLU  11          2HB       GLU  11  -5.079   8.371   7.134
   76   1HG   GLU  11          1HG       GLU  11  -6.152   9.974   8.577
   77   2HG   GLU  11          2HG       GLU  11  -7.670   9.862   7.709
   78    H    PHE  12           H        PHE  12  -6.456   8.000   3.867
   79    HA   PHE  12           HA       PHE  12  -3.904   7.260   3.144
   80   1HB   PHE  12          1HB       PHE  12  -6.703   7.082   2.211
   81   2HB   PHE  12          2HB       PHE  12  -5.617   7.191   0.839
   82    HD1  PHE  12           HD1      PHE  12  -5.934   5.327   4.062
   83    HD2  PHE  12           HD2      PHE  12  -4.752   5.231  -0.012
   84    HE1  PHE  12           HE1      PHE  12  -5.431   2.876   4.266
   85    HE2  PHE  12           HE2      PHE  12  -4.249   2.780   0.192
   86    HZ   PHE  12           HZ       PHE  12  -4.595   1.632   2.328
   87    H    LYS  13           H        LYS  13  -5.691  10.195   2.415
   88    HA   LYS  13           HA       LYS  13  -4.346  10.834   0.013
   89   1HB   LYS  13          1HB       LYS  13  -6.565  11.753   1.202
   90   2HB   LYS  13          2HB       LYS  13  -5.447  12.972   1.781
   91   1HG   LYS  13          1HG       LYS  13  -6.208  13.869  -0.275
   92   2HG   LYS  13          2HG       LYS  13  -4.652  13.179  -0.691
   93   1HD   LYS  13          1HD       LYS  13  -5.582  11.612  -2.071
   94   2HD   LYS  13          2HD       LYS  13  -6.835  11.206  -0.916
   95   1HE   LYS  13          1HE       LYS  13  -8.224  13.065  -1.622
   96   2HE   LYS  13          2HE       LYS  13  -6.917  13.784  -2.541
   97   1HZ   LYS  13          1HZ       LYS  13  -7.810  12.672  -4.219
   98   2HZ   LYS  13          2HZ       LYS  13  -7.105  11.335  -3.602
   99   3HZ   LYS  13          3HZ       LYS  13  -8.670  11.661  -3.267
  100    H    GLU  14           H        GLU  14  -3.974  12.115   3.398
  101    HA   GLU  14           HA       GLU  14  -1.585  13.424   2.721
  102   1HB   GLU  14          1HB       GLU  14  -3.099  12.847   5.261
  103   2HB   GLU  14          2HB       GLU  14  -1.437  13.385   5.399
  104   1HG   GLU  14          1HG       GLU  14  -2.140  15.282   3.717
  105   2HG   GLU  14          2HG       GLU  14  -3.784  14.845   4.138
  106    H    ALA  15           H        ALA  15  -2.425  10.200   3.985
  107    HA   ALA  15           HA       ALA  15   0.135   9.520   4.925
  108   1HB   ALA  15          1HB       ALA  15  -0.769   7.207   4.824
  109   2HB   ALA  15          2HB       ALA  15  -1.914   8.341   5.581
  110   3HB   ALA  15          3HB       ALA  15  -2.167   7.809   3.902
  111    H    PHE  16           H        PHE  16  -1.492   9.308   1.725
  112    HA   PHE  16           HA       PHE  16   0.050   7.669   0.320
  113   1HB   PHE  16          1HB       PHE  16  -1.810   9.161  -0.517
  114   2HB   PHE  16          2HB       PHE  16  -0.766  10.559  -0.356
  115    HD1  PHE  16           HD1      PHE  16  -0.484   7.183  -1.949
  116    HD2  PHE  16           HD2      PHE  16  -0.015  11.381  -2.362
  117    HE1  PHE  16           HE1      PHE  16   0.308   6.863  -4.309
  118    HE2  PHE  16           HE2      PHE  16   0.777  11.060  -4.722
  119    HZ   PHE  16           HZ       PHE  16   0.929   8.805  -5.668
  120    H    SER  17           H        SER  17   0.967  11.036   1.273
  121    HA   SER  17           HA       SER  17   3.250  11.263  -0.162
  122   1HB   SER  17          1HB       SER  17   2.296  13.089   1.178
  123   2HB   SER  17          2HB       SER  17   2.660  12.239   2.666
  124    HG   SER  17           HG       SER  17   4.461  13.420   2.574
  125    H    LEU  18           H        LEU  18   2.990  10.092   3.282
  126    HA   LEU  18           HA       LEU  18   5.619   9.363   3.592
  127   1HB   LEU  18          1HB       LEU  18   3.103   8.199   4.785
  128   2HB   LEU  18          2HB       LEU  18   4.719   7.794   5.328
  129    HG   LEU  18           HG       LEU  18   3.690  10.637   5.301
  130   1HD1  LEU  18          1HD1      LEU  18   3.347  10.258   7.797
  131   2HD1  LEU  18          2HD1      LEU  18   2.134   9.558   6.698
  132   3HD1  LEU  18          3HD1      LEU  18   3.380   8.517   7.429
  133   1HD2  LEU  18          1HD2      LEU  18   5.505  11.150   6.713
  134   2HD2  LEU  18          2HD2      LEU  18   5.858   9.434   7.026
  135   3HD2  LEU  18          3HD2      LEU  18   6.180  10.130   5.420
  136    H    PHE  19           H        PHE  19   2.840   7.332   2.439
  137    HA   PHE  19           HA       PHE  19   4.296   5.024   2.029
  138   1HB   PHE  19          1HB       PHE  19   1.872   6.343   0.689
  139   2HB   PHE  19          2HB       PHE  19   2.382   4.731   0.226
  140    HD1  PHE  19           HD1      PHE  19   2.864   3.203   2.469
  141    HD2  PHE  19           HD2      PHE  19   0.096   6.403   2.141
  142    HE1  PHE  19           HE1      PHE  19   1.524   2.237   4.358
  143    HE2  PHE  19           HE2      PHE  19  -1.245   5.436   4.030
  144    HZ   PHE  19           HZ       PHE  19  -0.515   3.365   5.116
  145    H    ASP  20           H        ASP  20   4.092   8.008   0.111
  146    HA   ASP  20           HA       ASP  20   5.094   6.821  -2.242
  147   1HB   ASP  20          1HB       ASP  20   3.906   9.232  -1.585
  148   2HB   ASP  20          2HB       ASP  20   5.575   9.729  -1.782
  149    H    LYS  21           H        LYS  21   7.098   5.744  -1.702
  150    HA   LYS  21           HA       LYS  21   9.148   7.329  -0.388
  151   1HB   LYS  21          1HB       LYS  21   9.344   4.450  -1.290
  152   2HB   LYS  21          2HB       LYS  21  10.320   5.279  -0.094
  153   1HG   LYS  21          1HG       LYS  21   7.319   5.110   0.296
  154   2HG   LYS  21          2HG       LYS  21   8.314   3.717   0.673
  155   1HD   LYS  21          1HD       LYS  21   9.734   5.193   2.166
  156   2HD   LYS  21          2HD       LYS  21   8.633   6.519   1.849
  157   1HE   LYS  21          1HE       LYS  21   6.745   5.191   2.805
  158   2HE   LYS  21          2HE       LYS  21   7.829   3.847   3.099
  159   1HZ   LYS  21          1HZ       LYS  21   7.460   6.175   4.629
  160   2HZ   LYS  21          2HZ       LYS  21   8.260   4.805   5.018
  161   3HZ   LYS  21          3HZ       LYS  21   9.037   6.010   4.235
  162    H    ASP  22           H        ASP  22   8.014   7.774  -3.228
  163    HA   ASP  22           HA       ASP  22  10.636   7.996  -4.410
  164   1HB   ASP  22          1HB       ASP  22   8.233   6.699  -5.779
  165   2HB   ASP  22          2HB       ASP  22   9.678   7.203  -6.633
  166    H    GLY  23           H        GLY  23   7.046   8.456  -4.823
  167   1HA   GLY  23          1HA       GLY  23   5.933  10.460  -5.012
  168   2HA   GLY  23          2HA       GLY  23   7.447  11.304  -5.267
  169    H    ASP  24           H        ASP  24   6.199   8.372  -6.983
  170    HA   ASP  24           HA       ASP  24   6.367   9.957  -9.421
  171   1HB   ASP  24          1HB       ASP  24   6.232   7.364 -10.296
  172   2HB   ASP  24          2HB       ASP  24   7.735   8.213  -9.993
  173    H    GLY  25           H        GLY  25   4.351   8.099  -7.225
  174   1HA   GLY  25          1HA       GLY  25   1.986   8.437  -7.325
  175   2HA   GLY  25          2HA       GLY  25   2.066   8.387  -9.074
  176    H    THR  26           H        THR  26   4.139   6.135  -7.353
  177    HA   THR  26           HA       THR  26   2.145   4.017  -7.451
  178    HB   THR  26           HB       THR  26   3.844   2.629  -8.813
  179    HG1  THR  26           HG1      THR  26   4.764   5.403  -9.094
  180   1HG2  THR  26          1HG2      THR  26   3.218   3.575 -10.982
  181   2HG2  THR  26          2HG2      THR  26   1.816   3.748  -9.899
  182   3HG2  THR  26          3HG2      THR  26   2.856   5.151 -10.238
  183    H    ILE  27           H        ILE  27   2.330   2.643  -5.776
  184    HA   ILE  27           HA       ILE  27   4.560   3.118  -3.989
  185    HB   ILE  27           HB       ILE  27   1.943   1.648  -3.755
  186   1HG1  ILE  27          1HG1      ILE  27   1.636   3.988  -3.572
  187   2HG1  ILE  27          2HG1      ILE  27   1.597   3.357  -1.937
  188   1HG2  ILE  27          1HG2      ILE  27   3.166   1.823  -1.214
  189   2HG2  ILE  27          2HG2      ILE  27   2.764   0.362  -2.148
  190   3HG2  ILE  27          3HG2      ILE  27   4.370   1.112  -2.316
  191   1HD1  ILE  27          1HD1      ILE  27   4.140   3.900  -1.846
  192   2HD1  ILE  27          2HD1      ILE  27   3.847   4.868  -3.310
  193   3HD1  ILE  27          3HD1      ILE  27   3.004   5.269  -1.794
  194    H    THR  28           H        THR  28   6.278   2.205  -5.269
  195    HA   THR  28           HA       THR  28   6.303  -0.254  -6.461
  196    HB   THR  28           HB       THR  28   8.359   1.515  -5.102
  197    HG1  THR  28           HG1      THR  28   7.893   0.361  -7.763
  198   1HG2  THR  28          1HG2      THR  28  10.161   0.067  -5.832
  199   2HG2  THR  28          2HG2      THR  28   9.075  -0.959  -4.866
  200   3HG2  THR  28          3HG2      THR  28   9.026  -1.039  -6.643
  201    H    THR  29           H        THR  29   6.968  -2.372  -5.877
  202    HA   THR  29           HA       THR  29   5.796  -3.361  -3.591
  203    HB   THR  29           HB       THR  29   7.156  -5.409  -4.165
  204    HG1  THR  29           HG1      THR  29   9.080  -4.881  -5.117
  205   1HG2  THR  29          1HG2      THR  29   5.153  -4.640  -5.649
  206   2HG2  THR  29          2HG2      THR  29   6.387  -3.994  -6.757
  207   3HG2  THR  29          3HG2      THR  29   6.334  -5.738  -6.404
  208    H    LYS  30           H        LYS  30   9.331  -2.729  -4.115
  209    HA   LYS  30           HA       LYS  30   9.987  -3.351  -1.455
  210   1HB   LYS  30          1HB       LYS  30  12.163  -2.696  -2.020
  211   2HB   LYS  30          2HB       LYS  30  11.494  -3.323  -3.512
  212   1HG   LYS  30          1HG       LYS  30  10.756  -0.665  -3.688
  213   2HG   LYS  30          2HG       LYS  30  12.266  -0.531  -2.809
  214   1HD   LYS  30          1HD       LYS  30  12.389  -2.424  -5.095
  215   2HD   LYS  30          2HD       LYS  30  12.034  -0.775  -5.570
  216   1HE   LYS  30          1HE       LYS  30  14.103  -0.577  -3.617
  217   2HE   LYS  30          2HE       LYS  30  14.561  -1.915  -4.652
  218   1HZ   LYS  30          1HZ       LYS  30  14.436   0.858  -5.257
  219   2HZ   LYS  30          2HZ       LYS  30  15.264  -0.333  -6.008
  220   3HZ   LYS  30          3HZ       LYS  30  13.700  -0.058  -6.391
  221    H    GLU  31           H        GLU  31   8.635  -0.509  -3.030
  222    HA   GLU  31           HA       GLU  31   9.456   1.320  -1.065
  223   1HB   GLU  31          1HB       GLU  31   8.860   2.377  -3.050
  224   2HB   GLU  31          2HB       GLU  31   7.508   1.303  -3.351
  225   1HG   GLU  31          1HG       GLU  31   6.213   2.387  -1.524
  226   2HG   GLU  31          2HG       GLU  31   7.573   3.430  -1.158
  227    H    LEU  32           H        LEU  32   6.709  -0.919  -1.442
  228    HA   LEU  32           HA       LEU  32   5.096   0.252   0.557
  229   1HB   LEU  32          1HB       LEU  32   3.981  -1.062  -0.986
  230   2HB   LEU  32          2HB       LEU  32   5.163  -2.354  -0.912
  231    HG   LEU  32           HG       LEU  32   4.237  -2.455   1.629
  232   1HD1  LEU  32          1HD1      LEU  32   1.570  -2.317   0.728
  233   2HD1  LEU  32          2HD1      LEU  32   2.375  -1.290   1.939
  234   3HD1  LEU  32          3HD1      LEU  32   2.346  -0.795   0.230
  235   1HD2  LEU  32          1HD2      LEU  32   2.449  -4.106   0.378
  236   2HD2  LEU  32          2HD2      LEU  32   3.693  -3.892  -0.877
  237   3HD2  LEU  32          3HD2      LEU  32   4.147  -4.504   0.731
  238    H    GLY  33           H        GLY  33   7.706  -2.206   0.528
  239   1HA   GLY  33          1HA       GLY  33   7.341  -3.114   3.175
  240   2HA   GLY  33          2HA       GLY  33   8.789  -3.253   2.198
  241    H    THR  34           H        THR  34   8.814  -0.207   1.766
  242    HA   THR  34           HA       THR  34  10.565   0.413   3.870
  243    HB   THR  34           HB       THR  34   9.074   2.177   1.854
  244    HG1  THR  34           HG1      THR  34  11.640   0.763   2.021
  245   1HG2  THR  34          1HG2      THR  34  11.500   2.625   3.651
  246   2HG2  THR  34          2HG2      THR  34  11.297   3.514   2.123
  247   3HG2  THR  34          3HG2      THR  34  10.094   3.692   3.422
  248    H    VAL  35           H        VAL  35   7.185   1.568   3.228
  249    HA   VAL  35           HA       VAL  35   6.933   3.128   5.462
  250    HB   VAL  35           HB       VAL  35   5.099   1.597   3.689
  251   1HG1  VAL  35          1HG1      VAL  35   3.241   2.831   5.195
  252   2HG1  VAL  35          2HG1      VAL  35   3.739   1.142   5.458
  253   3HG1  VAL  35          3HG1      VAL  35   4.425   2.439   6.465
  254   1HG2  VAL  35          1HG2      VAL  35   5.738   4.444   4.339
  255   2HG2  VAL  35          2HG2      VAL  35   5.507   3.651   2.762
  256   3HG2  VAL  35          3HG2      VAL  35   4.096   4.067   3.764
  257    H    MET  36           H        MET  36   6.137  -0.399   5.112
  258    HA   MET  36           HA       MET  36   5.190  -0.953   7.517
  259   1HB   MET  36          1HB       MET  36   7.343  -2.495   5.965
  260   2HB   MET  36          2HB       MET  36   6.405  -3.199   7.267
  261   1HG   MET  36          1HG       MET  36   5.064  -1.919   4.848
  262   2HG   MET  36          2HG       MET  36   5.562  -3.599   4.839
  263   1HE   MET  36          1HE       MET  36   1.750  -1.970   6.374
  264   2HE   MET  36          2HE       MET  36   3.176  -0.928   6.599
  265   3HE   MET  36          3HE       MET  36   2.786  -1.566   4.983
  266    H    ARG  37           H        ARG  37   8.670  -0.411   6.736
  267    HA   ARG  37           HA       ARG  37   9.787  -1.219   9.047
  268   1HB   ARG  37          1HB       ARG  37  10.512   1.278   7.431
  269   2HB   ARG  37          2HB       ARG  37  11.581   0.483   8.569
  270   1HG   ARG  37          1HG       ARG  37  10.964  -1.672   7.047
  271   2HG   ARG  37          2HG       ARG  37  10.688  -0.428   5.844
  272   1HD   ARG  37          1HD       ARG  37  13.156   0.199   7.214
  273   2HD   ARG  37          2HD       ARG  37  13.208  -1.493   6.757
  274    HE   ARG  37           HE       ARG  37  12.277  -0.315   4.456
  275   1HH1  ARG  37          2HH2      ARG  37  15.015   0.400   6.548
  276   2HH1  ARG  37          1HH2      ARG  37  15.986   1.051   5.270
  277   1HH2  ARG  37          2HH1      ARG  37  13.557   0.544   2.769
  278   2HH2  ARG  37          1HH1      ARG  37  15.151   1.133   3.106
  279    H    SER  38           H        SER  38   8.388   2.046   8.284
  280    HA   SER  38           HA       SER  38   8.999   3.275  10.634
  281   1HB   SER  38          1HB       SER  38   7.625   3.954   8.359
  282   2HB   SER  38          2HB       SER  38   6.301   3.875   9.505
  283    HG   SER  38           HG       SER  38   8.589   5.603   9.498
  284    H    LEU  39           H        LEU  39   6.734   0.686   9.992
  285    HA   LEU  39           HA       LEU  39   5.261   1.193  12.446
  286   1HB   LEU  39          1HB       LEU  39   4.938  -0.809  10.212
  287   2HB   LEU  39          2HB       LEU  39   3.970  -0.829  11.673
  288    HG   LEU  39           HG       LEU  39   4.077   1.387   9.609
  289   1HD1  LEU  39          1HD1      LEU  39   2.224  -0.884  10.142
  290   2HD1  LEU  39          2HD1      LEU  39   1.511   0.672   9.653
  291   3HD1  LEU  39          3HD1      LEU  39   2.708  -0.126   8.606
  292   1HD2  LEU  39          1HD2      LEU  39   2.239   2.422  10.939
  293   2HD2  LEU  39          2HD2      LEU  39   2.570   1.245  12.233
  294   3HD2  LEU  39          3HD2      LEU  39   3.819   2.422  11.758
  295    H    GLY  40           H        GLY  40   8.188   0.569  12.439
  296   1HA   GLY  40          1HA       GLY  40   9.664  -0.885  13.358
  297   2HA   GLY  40          2HA       GLY  40   8.473  -0.935  14.642
  298    H    GLN  41           H        GLN  41   8.854  -2.315  11.291
  299    HA   GLN  41           HA       GLN  41   8.253  -4.901  12.480
  300   1HB   GLN  41          1HB       GLN  41   6.516  -3.466  10.759
  301   2HB   GLN  41          2HB       GLN  41   7.234  -4.706   9.750
  302   1HG   GLN  41          1HG       GLN  41   6.696  -6.258  11.885
  303   2HG   GLN  41          2HG       GLN  41   5.500  -5.016  12.197
  304   1HE2  GLN  41          1HE2      GLN  41   3.620  -5.814  11.623
  305   2HE2  GLN  41          2HE2      GLN  41   3.220  -6.551  10.108
  306    H    ASN  42           H        ASN  42   9.579  -3.017   9.702
  307    HA   ASN  42           HA       ASN  42  11.121  -3.457   8.235
  308   1HB   ASN  42          1HB       ASN  42  12.229  -3.933  10.778
  309   2HB   ASN  42          2HB       ASN  42  12.720  -5.348   9.868
  310   1HD2  ASN  42          1HD2      ASN  42  12.512  -1.809   9.644
  311   2HD2  ASN  42          2HD2      ASN  42  13.972  -1.554   8.746
  312    HA   PRO  43           HA       PRO  43   9.550  -7.749   7.527
  313   1HB   PRO  43          1HB       PRO  43   7.744  -7.236   5.541
  314   2HB   PRO  43          2HB       PRO  43   7.297  -7.377   7.229
  315   1HG   PRO  43          1HG       PRO  43   7.533  -4.941   5.571
  316   2HG   PRO  43          2HG       PRO  43   6.697  -5.154   7.097
  317   1HD   PRO  43          1HD       PRO  43   9.232  -3.874   6.693
  318   2HD   PRO  43          2HD       PRO  43   8.450  -4.190   8.229
  319    H    THR  44           H        THR  44   9.221  -8.892   5.175
  320    HA   THR  44           HA       THR  44  11.613  -7.963   3.725
  321    HB   THR  44           HB       THR  44  11.455 -10.544   3.011
  322    HG1  THR  44           HG1      THR  44   9.365 -10.646   4.249
  323   1HG2  THR  44          1HG2      THR  44  12.952  -9.167   4.959
  324   2HG2  THR  44          2HG2      THR  44  12.201 -10.501   5.868
  325   3HG2  THR  44          3HG2      THR  44  13.216 -10.852   4.448
  326    H    GLU  45           H        GLU  45  11.537  -7.634   1.537
  327    HA   GLU  45           HA       GLU  45   9.058  -7.017   0.481
  328   1HB   GLU  45          1HB       GLU  45  10.267  -6.629  -1.619
  329   2HB   GLU  45          2HB       GLU  45  11.200  -6.011  -0.271
  330   1HG   GLU  45          1HG       GLU  45  12.285  -8.460  -0.312
  331   2HG   GLU  45          2HG       GLU  45  11.712  -8.458  -1.968
  332    H    ALA  46           H        ALA  46  10.708 -10.055   0.816
  333    HA   ALA  46           HA       ALA  46   9.690 -11.374  -1.450
  334   1HB   ALA  46          1HB       ALA  46  10.048 -13.295   0.534
  335   2HB   ALA  46          2HB       ALA  46  11.292 -12.720  -0.602
  336   3HB   ALA  46          3HB       ALA  46  11.159 -11.991   1.016
  337    H    GLU  47           H        GLU  47   8.562 -11.149   1.992
  338    HA   GLU  47           HA       GLU  47   6.295 -12.713   1.512
  339   1HB   GLU  47          1HB       GLU  47   7.064 -10.769   3.719
  340   2HB   GLU  47          2HB       GLU  47   5.532 -11.620   3.738
  341   1HG   GLU  47          1HG       GLU  47   7.906 -13.346   3.205
  342   2HG   GLU  47          2HG       GLU  47   7.879 -12.612   4.796
  343    H    LEU  48           H        LEU  48   6.975  -9.189   1.406
  344    HA   LEU  48           HA       LEU  48   4.256  -8.442   1.118
  345   1HB   LEU  48          1HB       LEU  48   6.912  -7.092   0.808
  346   2HB   LEU  48          2HB       LEU  48   5.463  -6.300   0.221
  347    HG   LEU  48           HG       LEU  48   6.109  -5.561   2.477
  348   1HD1  LEU  48          1HD1      LEU  48   3.970  -5.154   2.933
  349   2HD1  LEU  48          2HD1      LEU  48   3.568  -6.219   1.565
  350   3HD1  LEU  48          3HD1      LEU  48   3.622  -6.876   3.218
  351   1HD2  LEU  48          1HD2      LEU  48   5.677  -7.164   4.394
  352   2HD2  LEU  48          2HD2      LEU  48   5.709  -8.471   3.186
  353   3HD2  LEU  48          3HD2      LEU  48   7.149  -7.454   3.435
  354    H    GLN  49           H        GLN  49   6.700  -9.776  -1.001
  355    HA   GLN  49           HA       GLN  49   5.921  -8.714  -3.398
  356   1HB   GLN  49          1HB       GLN  49   7.933 -10.162  -2.977
  357   2HB   GLN  49          2HB       GLN  49   6.882 -11.560  -2.870
  358   1HG   GLN  49          1HG       GLN  49   6.056 -11.062  -5.213
  359   2HG   GLN  49          2HG       GLN  49   7.214  -9.751  -5.309
  360   1HE2  GLN  49          1HE2      GLN  49   6.973 -12.189  -6.887
  361   2HE2  GLN  49          2HE2      GLN  49   8.479 -13.036  -6.769
  362    H    ASP  50           H        ASP  50   4.500 -11.368  -1.453
  363    HA   ASP  50           HA       ASP  50   2.795 -12.263  -3.486
  364   1HB   ASP  50          1HB       ASP  50   3.468 -13.528  -1.385
  365   2HB   ASP  50          2HB       ASP  50   2.435 -12.458  -0.459
  366    H    MET  51           H        MET  51   2.681  -9.762  -0.930
  367    HA   MET  51           HA       MET  51  -0.096  -9.356  -1.053
  368   1HB   MET  51          1HB       MET  51   2.266  -8.254   0.305
  369   2HB   MET  51          2HB       MET  51   1.210  -6.952  -0.204
  370   1HG   MET  51          1HG       MET  51   0.170  -9.393   1.303
  371   2HG   MET  51          2HG       MET  51   0.749  -7.961   2.130
  372   1HE   MET  51          1HE       MET  51  -1.923  -9.511  -0.207
  373   2HE   MET  51          2HE       MET  51  -2.268  -9.607   1.536
  374   3HE   MET  51          3HE       MET  51  -3.323  -8.647   0.472
  375    H    ILE  52           H        ILE  52   2.698  -7.363  -2.277
  376    HA   ILE  52           HA       ILE  52   1.271  -5.452  -3.587
  377    HB   ILE  52           HB       ILE  52   3.257  -5.193  -5.013
  378   1HG1  ILE  52          1HG1      ILE  52   5.217  -6.798  -4.282
  379   2HG1  ILE  52          2HG1      ILE  52   3.912  -7.910  -3.918
  380   1HG2  ILE  52          1HG2      ILE  52   3.462  -4.037  -3.022
  381   2HG2  ILE  52          2HG2      ILE  52   3.507  -5.520  -2.038
  382   3HG2  ILE  52          3HG2      ILE  52   4.921  -5.056  -3.015
  383   1HD1  ILE  52          1HD1      ILE  52   3.330  -6.721  -6.472
  384   2HD1  ILE  52          2HD1      ILE  52   5.027  -7.257  -6.488
  385   3HD1  ILE  52          3HD1      ILE  52   3.731  -8.418  -6.113
  386    H    ASN  53           H        ASN  53   2.272  -8.704  -4.826
  387    HA   ASN  53           HA       ASN  53   1.162  -8.316  -7.340
  388   1HB   ASN  53          1HB       ASN  53   2.806 -10.120  -6.792
  389   2HB   ASN  53          2HB       ASN  53   1.625 -10.902  -5.761
  390   1HD2  ASN  53          1HD2      ASN  53   1.262 -12.754  -6.777
  391   2HD2  ASN  53          2HD2      ASN  53   0.667 -12.936  -8.393
  392    H    GLU  54           H        GLU  54  -0.111  -9.335  -4.169
  393    HA   GLU  54           HA       GLU  54  -2.468 -10.500  -5.152
  394   1HB   GLU  54          1HB       GLU  54  -1.620 -11.064  -2.934
  395   2HB   GLU  54          2HB       GLU  54  -1.719  -9.393  -2.414
  396   1HG   GLU  54          1HG       GLU  54  -3.787  -9.917  -1.619
  397   2HG   GLU  54          2HG       GLU  54  -4.316  -9.871  -3.289
  398    H    VAL  55           H        VAL  55  -1.851  -7.329  -3.468
  399    HA   VAL  55           HA       VAL  55  -4.420  -6.332  -3.876
  400    HB   VAL  55           HB       VAL  55  -3.479  -4.215  -3.248
  401   1HG1  VAL  55          1HG1      VAL  55  -2.044  -6.443  -1.765
  402   2HG1  VAL  55          2HG1      VAL  55  -2.399  -4.813  -1.145
  403   3HG1  VAL  55          3HG1      VAL  55  -3.730  -5.941  -1.496
  404   1HG2  VAL  55          1HG2      VAL  55  -1.560  -3.893  -4.535
  405   2HG2  VAL  55          2HG2      VAL  55  -0.905  -4.136  -2.898
  406   3HG2  VAL  55          3HG2      VAL  55  -0.865  -5.467  -4.078
  407    H    ASP  56           H        ASP  56  -1.431  -6.217  -5.876
  408    HA   ASP  56           HA       ASP  56  -2.274  -4.373  -7.703
  409   1HB   ASP  56          1HB       ASP  56   0.012  -5.224  -7.682
  410   2HB   ASP  56          2HB       ASP  56  -0.534  -6.858  -8.004
  411    H    ALA  57           H        ALA  57  -4.216  -4.469  -8.851
  412    HA   ALA  57           HA       ALA  57  -5.194  -7.110  -9.641
  413   1HB   ALA  57          1HB       ALA  57  -6.502  -4.374  -9.400
  414   2HB   ALA  57          2HB       ALA  57  -7.322  -5.808 -10.063
  415   3HB   ALA  57          3HB       ALA  57  -6.773  -5.801  -8.370
  416    H    ASP  58           H        ASP  58  -4.666  -3.757 -10.936
  417    HA   ASP  58           HA       ASP  58  -5.329  -4.089 -13.475
  418   1HB   ASP  58          1HB       ASP  58  -2.929  -2.736 -13.777
  419   2HB   ASP  58          2HB       ASP  58  -4.449  -1.995 -13.318
  420    H    GLY  59           H        GLY  59  -2.569  -5.523 -11.747
  421   1HA   GLY  59          1HA       GLY  59  -1.429  -7.419 -12.393
  422   2HA   GLY  59          2HA       GLY  59  -1.993  -7.225 -14.041
  423    H    ASP  60           H        ASP  60   0.697  -6.969 -12.014
  424    HA   ASP  60           HA       ASP  60   2.389  -6.183 -13.981
  425   1HB   ASP  60          1HB       ASP  60   3.029  -3.859 -13.164
  426   2HB   ASP  60          2HB       ASP  60   1.489  -3.950 -13.995
  427    H    GLY  61           H        GLY  61   1.660  -5.462 -10.484
  428   1HA   GLY  61          1HA       GLY  61   2.751  -6.868  -8.828
  429   2HA   GLY  61          2HA       GLY  61   4.225  -6.752  -9.768
  430    H    THR  62           H        THR  62   1.787  -4.219  -8.856
  431    HA   THR  62           HA       THR  62   3.661  -3.005  -7.027
  432    HB   THR  62           HB       THR  62   2.781  -1.519  -9.556
  433    HG1  THR  62           HG1      THR  62   5.315  -2.705  -8.659
  434   1HG2  THR  62          1HG2      THR  62   5.136  -0.418  -8.513
  435   2HG2  THR  62          2HG2      THR  62   3.509   0.277  -8.321
  436   3HG2  THR  62          3HG2      THR  62   4.182  -0.775  -7.053
  437    H    ILE  63           H        ILE  63   2.701  -1.193  -5.830
  438    HA   ILE  63           HA       ILE  63  -0.177  -1.637  -5.626
  439    HB   ILE  63           HB       ILE  63   1.761  -0.317  -3.723
  440   1HG1  ILE  63          1HG1      ILE  63   0.654  -3.126  -3.868
  441   2HG1  ILE  63          2HG1      ILE  63   2.332  -2.621  -3.840
  442   1HG2  ILE  63          1HG2      ILE  63  -0.141  -0.632  -2.094
  443   2HG2  ILE  63          2HG2      ILE  63  -0.387   0.615  -3.341
  444   3HG2  ILE  63          3HG2      ILE  63  -1.183  -0.969  -3.497
  445   1HD1  ILE  63          1HD1      ILE  63   1.774  -1.558  -1.517
  446   2HD1  ILE  63          2HD1      ILE  63   0.315  -2.576  -1.574
  447   3HD1  ILE  63          3HD1      ILE  63   1.927  -3.328  -1.615
  448    H    ASP  64           H        ASP  64  -1.452   0.439  -4.951
  449    HA   ASP  64           HA       ASP  64  -0.380   2.825  -6.094
  450   1HB   ASP  64          1HB       ASP  64  -1.472   1.386  -7.987
  451   2HB   ASP  64          2HB       ASP  64  -3.001   1.761  -7.218
  452    H    PHE  65           H        PHE  65  -2.396   4.559  -6.033
  453    HA   PHE  65           HA       PHE  65  -3.180   4.747  -3.389
  454   1HB   PHE  65          1HB       PHE  65  -3.371   6.154  -5.900
  455   2HB   PHE  65          2HB       PHE  65  -5.011   6.050  -5.293
  456    HD1  PHE  65           HD1      PHE  65  -4.541   6.259  -2.369
  457    HD2  PHE  65           HD2      PHE  65  -2.800   8.391  -5.598
  458    HE1  PHE  65           HE1      PHE  65  -4.100   8.205  -0.846
  459    HE2  PHE  65           HE2      PHE  65  -2.358  10.337  -4.075
  460    HZ   PHE  65           HZ       PHE  65  -3.014  10.220  -1.718
  461    HA   PRO  66           HA       PRO  66  -7.386   3.088  -4.793
  462   1HB   PRO  66          1HB       PRO  66  -7.690   2.031  -7.294
  463   2HB   PRO  66          2HB       PRO  66  -8.098   3.688  -6.899
  464   1HG   PRO  66          1HG       PRO  66  -5.763   2.660  -8.393
  465   2HG   PRO  66          2HG       PRO  66  -6.409   4.288  -8.351
  466   1HD   PRO  66          1HD       PRO  66  -4.076   3.332  -6.984
  467   2HD   PRO  66          2HD       PRO  66  -4.789   4.928  -6.851
  468    H    GLU  67           H        GLU  67  -4.613   1.377  -5.995
  469    HA   GLU  67           HA       GLU  67  -5.747  -1.156  -5.654
  470   1HB   GLU  67          1HB       GLU  67  -2.949  -0.076  -6.001
  471   2HB   GLU  67          2HB       GLU  67  -3.151  -1.754  -5.536
  472   1HG   GLU  67          1HG       GLU  67  -4.638  -2.127  -7.512
  473   2HG   GLU  67          2HG       GLU  67  -4.453  -0.447  -7.973
  474    H    PHE  68           H        PHE  68  -3.372   0.726  -3.638
  475    HA   PHE  68           HA       PHE  68  -3.255  -1.106  -1.561
  476   1HB   PHE  68          1HB       PHE  68  -1.949   1.142  -2.223
  477   2HB   PHE  68          2HB       PHE  68  -3.165   1.935  -1.242
  478    HD1  PHE  68           HD1      PHE  68  -1.889   2.708   0.565
  479    HD2  PHE  68           HD2      PHE  68  -1.580  -1.361  -0.597
  480    HE1  PHE  68           HE1      PHE  68  -0.542   2.222   2.626
  481    HE2  PHE  68           HE2      PHE  68  -0.233  -1.848   1.464
  482    HZ   PHE  68           HZ       PHE  68   0.270  -0.050   3.051
  483    H    LEU  69           H        LEU  69  -5.485   1.662  -2.167
  484    HA   LEU  69           HA       LEU  69  -6.695   1.835   0.269
  485   1HB   LEU  69          1HB       LEU  69  -7.627   3.423  -0.945
  486   2HB   LEU  69          2HB       LEU  69  -7.230   2.614  -2.448
  487    HG   LEU  69           HG       LEU  69  -9.294   1.184  -2.119
  488   1HD1  LEU  69          1HD1      LEU  69 -10.816   1.535  -0.459
  489   2HD1  LEU  69          2HD1      LEU  69  -9.327   1.963   0.417
  490   3HD1  LEU  69          3HD1      LEU  69 -10.368   3.245  -0.247
  491   1HD2  LEU  69          1HD2      LEU  69  -9.260   3.006  -3.715
  492   2HD2  LEU  69          2HD2      LEU  69 -10.840   2.942  -2.898
  493   3HD2  LEU  69          3HD2      LEU  69  -9.646   4.178  -2.432
  494    H    THR  70           H        THR  70  -7.559  -0.390  -2.464
  495    HA   THR  70           HA       THR  70  -9.661  -1.664  -1.161
  496    HB   THR  70           HB       THR  70  -7.684  -2.516  -3.334
  497    HG1  THR  70           HG1      THR  70 -10.448  -1.555  -3.100
  498   1HG2  THR  70          1HG2      THR  70 -10.169  -3.881  -2.217
  499   2HG2  THR  70          2HG2      THR  70  -9.728  -4.054  -3.932
  500   3HG2  THR  70          3HG2      THR  70  -8.612  -4.619  -2.666
  501    H    MET  71           H        MET  71  -6.150  -2.543  -1.270
  502    HA   MET  71           HA       MET  71  -6.276  -4.855   0.097
  503   1HB   MET  71          1HB       MET  71  -4.179  -3.969  -0.819
  504   2HB   MET  71          2HB       MET  71  -4.251  -2.561   0.221
  505   1HG   MET  71          1HG       MET  71  -4.294  -5.175   1.663
  506   2HG   MET  71          2HG       MET  71  -2.809  -4.844   0.794
  507   1HE   MET  71          1HE       MET  71  -1.865  -4.209   4.265
  508   2HE   MET  71          2HE       MET  71  -1.739  -5.128   2.747
  509   3HE   MET  71          3HE       MET  71  -0.861  -3.591   2.932
  510    H    MET  72           H        MET  72  -5.709  -1.595   1.624
  511    HA   MET  72           HA       MET  72  -5.836  -2.509   4.211
  512   1HB   MET  72          1HB       MET  72  -5.424  -0.082   2.900
  513   2HB   MET  72          2HB       MET  72  -6.961   0.216   3.688
  514   1HG   MET  72          1HG       MET  72  -4.931  -1.105   5.428
  515   2HG   MET  72          2HG       MET  72  -4.490   0.508   4.903
  516   1HE   MET  72          1HE       MET  72  -4.988   2.140   7.210
  517   2HE   MET  72          2HE       MET  72  -5.763   1.125   8.449
  518   3HE   MET  72          3HE       MET  72  -4.421   0.475   7.478
  519    H    ALA  73           H        ALA  73  -8.441  -0.799   2.321
  520    HA   ALA  73           HA       ALA  73 -10.444  -0.910   4.135
  521   1HB   ALA  73          1HB       ALA  73 -11.200  -1.626   1.348
  522   2HB   ALA  73          2HB       ALA  73 -11.749  -0.278   2.373
  523   3HB   ALA  73          3HB       ALA  73 -10.188  -0.173   1.526
  524    H    ARG  74           H        ARG  74  -9.637  -3.485   1.697
  525    HA   ARG  74           HA       ARG  74 -11.565  -5.236   2.583
  526   1HB   ARG  74          1HB       ARG  74  -8.904  -5.637   1.151
  527   2HB   ARG  74          2HB       ARG  74  -9.954  -6.995   1.502
  528   1HG   ARG  74          1HG       ARG  74 -11.387  -4.708   0.276
  529   2HG   ARG  74          2HG       ARG  74 -10.121  -5.355  -0.750
  530   1HD   ARG  74          1HD       ARG  74 -11.402  -7.157  -1.268
  531   2HD   ARG  74          2HD       ARG  74 -11.554  -7.581   0.425
  532    HE   ARG  74           HE       ARG  74 -13.299  -5.383  -0.069
  533   1HH1  ARG  74          2HH2      ARG  74 -12.971  -8.771  -0.959
  534   2HH1  ARG  74          1HH2      ARG  74 -14.672  -9.008  -1.187
  535   1HH2  ARG  74          2HH1      ARG  74 -15.543  -5.695  -0.370
  536   2HH2  ARG  74          1HH1      ARG  74 -16.144  -7.246  -0.850
  537    H    LYS  75           H        LYS  75  -8.135  -4.723   3.565
  538    HA   LYS  75           HA       LYS  75  -7.603  -6.906   5.043
  539   1HB   LYS  75          1HB       LYS  75  -6.416  -4.500   4.659
  540   2HB   LYS  75          2HB       LYS  75  -6.912  -4.321   6.330
  541   1HG   LYS  75          1HG       LYS  75  -4.757  -5.324   6.466
  542   2HG   LYS  75          2HG       LYS  75  -5.866  -6.652   6.748
  543   1HD   LYS  75          1HD       LYS  75  -5.171  -6.170   3.881
  544   2HD   LYS  75          2HD       LYS  75  -3.839  -6.703   4.888
  545   1HE   LYS  75          1HE       LYS  75  -5.894  -8.400   5.702
  546   2HE   LYS  75          2HE       LYS  75  -6.244  -8.197   3.997
  547   1HZ   LYS  75          1HZ       LYS  75  -4.744  -9.970   4.217
  548   2HZ   LYS  75          2HZ       LYS  75  -3.873  -8.735   3.600
  549   3HZ   LYS  75          3HZ       LYS  75  -3.726  -9.129   5.178
  550    H    MET  76           H        MET  76  -9.266  -3.945   6.349
  551    HA   MET  76           HA       MET  76  -9.818  -4.970   8.804
  552   1HB   MET  76          1HB       MET  76 -10.961  -2.865   6.993
  553   2HB   MET  76          2HB       MET  76 -12.025  -3.371   8.290
  554   1HG   MET  76          1HG       MET  76  -9.543  -3.077   9.577
  555   2HG   MET  76          2HG       MET  76  -9.552  -1.760   8.421
  556   1HE   MET  76          1HE       MET  76 -10.501   0.466   9.030
  557   2HE   MET  76          2HE       MET  76 -11.040   0.718  10.708
  558   3HE   MET  76          3HE       MET  76  -9.480  -0.076  10.384
  559    H    LYS  77           H        LYS  77 -11.841  -5.142   5.799
  560    HA   LYS  77           HA       LYS  77 -14.024  -6.411   6.913
  561   1HB   LYS  77          1HB       LYS  77 -13.321  -5.491   4.435
  562   2HB   LYS  77          2HB       LYS  77 -13.293  -7.222   4.166
  563   1HG   LYS  77          1HG       LYS  77 -15.597  -7.387   5.184
  564   2HG   LYS  77          2HG       LYS  77 -15.621  -5.643   5.360
  565   1HD   LYS  77          1HD       LYS  77 -14.911  -5.941   2.684
  566   2HD   LYS  77          2HD       LYS  77 -15.991  -7.300   2.924
  567   1HE   LYS  77          1HE       LYS  77 -16.786  -4.548   3.928
  568   2HE   LYS  77          2HE       LYS  77 -16.988  -4.950   2.234
  569   1HZ   LYS  77          1HZ       LYS  77 -17.957  -6.889   4.139
  570   2HZ   LYS  77          2HZ       LYS  77 -18.796  -5.492   4.036
  571   3HZ   LYS  77          3HZ       LYS  77 -18.596  -6.424   2.710
  572    H    ASP  78           H        ASP  78 -11.175  -7.914   5.225
  573    HA   ASP  78           HA       ASP  78 -11.891 -10.495   5.616
  574   1HB   ASP  78          1HB       ASP  78  -9.830  -9.397   4.406
  575   2HB   ASP  78          2HB       ASP  78  -9.017  -9.562   5.949
  576    H    THR  79           H        THR  79  -9.584  -8.520   7.649
  577    HA   THR  79           HA       THR  79  -9.364 -10.404   9.709
  578    HB   THR  79           HB       THR  79  -8.241  -8.557  10.865
  579    HG1  THR  79           HG1      THR  79  -9.467  -6.934   8.754
  580   1HG2  THR  79          1HG2      THR  79  -6.584  -8.623   9.293
  581   2HG2  THR  79          2HG2      THR  79  -7.758  -9.065   8.029
  582   3HG2  THR  79          3HG2      THR  79  -7.451  -7.351   8.400
  Start of MODEL   18
    1   1H    ALA   1          1H        ALA   1 -17.744   6.342   2.058
    2    HA   ALA   1           HA       ALA   1 -18.861   7.628  -0.184
    3   1HB   ALA   1          1HB       ALA   1 -18.341   6.279  -1.932
    4   2HB   ALA   1          2HB       ALA   1 -16.946   5.800  -0.935
    5   3HB   ALA   1          3HB       ALA   1 -18.420   4.803  -0.941
    6    H    ASP   2           H        ASP   2 -18.892   4.146   0.830
    7    HA   ASP   2           HA       ASP   2 -21.462   4.684   2.069
    8   1HB   ASP   2          1HB       ASP   2 -21.395   3.564  -0.385
    9   2HB   ASP   2          2HB       ASP   2 -21.068   2.113   0.541
   10    H    GLN   3           H        GLN   3 -18.417   3.940   2.662
   11    HA   GLN   3           HA       GLN   3 -19.116   1.932   4.625
   12   1HB   GLN   3          1HB       GLN   3 -16.767   1.700   2.695
   13   2HB   GLN   3          2HB       GLN   3 -16.958   0.703   4.124
   14   1HG   GLN   3          1HG       GLN   3 -19.456   0.482   2.877
   15   2HG   GLN   3          2HG       GLN   3 -18.349   0.537   1.519
   16   1HE2  GLN   3          1HE2      GLN   3 -16.984  -1.117   1.107
   17   2HE2  GLN   3          2HE2      GLN   3 -16.962  -2.621   1.966
   18    H    LEU   4           H        LEU   4 -15.966   3.324   3.486
   19    HA   LEU   4           HA       LEU   4 -15.865   5.254   5.550
   20   1HB   LEU   4          1HB       LEU   4 -14.230   4.322   6.987
   21   2HB   LEU   4          2HB       LEU   4 -15.585   3.214   6.903
   22    HG   LEU   4           HG       LEU   4 -13.966   2.190   4.953
   23   1HD1  LEU   4          1HD1      LEU   4 -11.838   2.781   5.140
   24   2HD1  LEU   4          2HD1      LEU   4 -12.304   3.990   6.360
   25   3HD1  LEU   4          3HD1      LEU   4 -11.831   2.351   6.868
   26   1HD2  LEU   4          1HD2      LEU   4 -13.321   0.488   6.663
   27   2HD2  LEU   4          2HD2      LEU   4 -14.049   1.532   7.908
   28   3HD2  LEU   4          3HD2      LEU   4 -15.063   0.853   6.612
   29    H    THR   5           H        THR   5 -15.570   4.898   2.613
   30    HA   THR   5           HA       THR   5 -12.786   5.055   2.017
   31    HB   THR   5           HB       THR   5 -15.282   5.830   0.416
   32    HG1  THR   5           HG1      THR   5 -14.878   3.558   1.398
   33   1HG2  THR   5          1HG2      THR   5 -13.773   6.392  -1.212
   34   2HG2  THR   5          2HG2      THR   5 -12.408   5.867  -0.197
   35   3HG2  THR   5          3HG2      THR   5 -13.266   4.686  -1.216
   36    H    GLU   6           H        GLU   6 -15.382   7.420   2.713
   37    HA   GLU   6           HA       GLU   6 -13.992   9.648   1.863
   38   1HB   GLU   6          1HB       GLU   6 -16.355   9.796   2.327
   39   2HB   GLU   6          2HB       GLU   6 -16.141   9.258   3.981
   40   1HG   GLU   6          1HG       GLU   6 -15.647  11.360   4.709
   41   2HG   GLU   6          2HG       GLU   6 -14.492  11.623   3.418
   42    H    GLU   7           H        GLU   7 -14.382   8.367   5.252
   43    HA   GLU   7           HA       GLU   7 -12.517  10.140   6.309
   44   1HB   GLU   7          1HB       GLU   7 -12.582   8.607   8.304
   45   2HB   GLU   7          2HB       GLU   7 -14.169   9.093   7.741
   46   1HG   GLU   7          1HG       GLU   7 -14.729   6.968   7.030
   47   2HG   GLU   7          2HG       GLU   7 -13.103   6.601   6.487
   48    H    GLN   8           H        GLN   8 -12.251   6.939   4.774
   49    HA   GLN   8           HA       GLN   8  -9.691   6.360   5.721
   50   1HB   GLN   8          1HB       GLN   8 -11.023   4.567   4.845
   51   2HB   GLN   8          2HB       GLN   8 -11.307   5.405   3.332
   52   1HG   GLN   8          1HG       GLN   8  -9.611   3.624   3.039
   53   2HG   GLN   8          2HG       GLN   8  -8.912   5.201   2.728
   54   1HE2  GLN   8          1HE2      GLN   8  -8.547   2.320   4.314
   55   2HE2  GLN   8          2HE2      GLN   8  -7.365   2.748   5.505
   56    H    ILE   9           H        ILE   9 -10.824   7.619   2.497
   57    HA   ILE   9           HA       ILE   9  -8.306   8.037   1.436
   58    HB   ILE   9           HB       ILE   9 -10.977   9.337   0.942
   59   1HG1  ILE   9          1HG1      ILE   9  -9.384   7.195  -0.493
   60   2HG1  ILE   9          2HG1      ILE   9 -10.891   6.990   0.379
   61   1HG2  ILE   9          1HG2      ILE   9 -10.146  10.796  -0.529
   62   2HG2  ILE   9          2HG2      ILE   9  -8.582  10.526   0.277
   63   3HG2  ILE   9          3HG2      ILE   9  -8.994   9.612  -1.193
   64   1HD1  ILE   9          1HD1      ILE   9 -10.694   8.933  -1.949
   65   2HD1  ILE   9          2HD1      ILE   9 -11.015   7.202  -2.209
   66   3HD1  ILE   9          3HD1      ILE   9 -12.150   8.184  -1.252
   67    H    ALA  10           H        ALA  10 -10.254   9.979   3.711
   68    HA   ALA  10           HA       ALA  10  -9.033  12.404   3.536
   69   1HB   ALA  10          1HB       ALA  10 -10.766  11.049   5.290
   70   2HB   ALA  10          2HB       ALA  10  -9.418  11.603   6.312
   71   3HB   ALA  10          3HB       ALA  10 -10.334  12.775   5.335
   72    H    GLU  11           H        GLU  11  -8.006   9.659   5.696
   73    HA   GLU  11           HA       GLU  11  -5.621  10.977   6.375
   74   1HB   GLU  11          1HB       GLU  11  -6.784   8.233   6.815
   75   2HB   GLU  11          2HB       GLU  11  -5.073   8.459   7.117
   76   1HG   GLU  11          1HG       GLU  11  -5.509  10.225   8.741
   77   2HG   GLU  11          2HG       GLU  11  -7.205  10.289   8.305
   78    H    PHE  12           H        PHE  12  -6.465   8.290   4.102
   79    HA   PHE  12           HA       PHE  12  -3.965   7.572   3.297
   80   1HB   PHE  12          1HB       PHE  12  -6.745   7.432   2.432
   81   2HB   PHE  12          2HB       PHE  12  -5.773   7.794   1.019
   82    HD1  PHE  12           HD1      PHE  12  -5.906   5.434   3.902
   83    HD2  PHE  12           HD2      PHE  12  -4.764   6.056  -0.137
   84    HE1  PHE  12           HE1      PHE  12  -5.296   3.007   3.701
   85    HE2  PHE  12           HE2      PHE  12  -4.153   3.630  -0.338
   86    HZ   PHE  12           HZ       PHE  12  -4.426   2.134   1.583
   87    H    LYS  13           H        LYS  13  -6.005  10.300   2.069
   88    HA   LYS  13           HA       LYS  13  -4.573  11.118  -0.056
   89   1HB   LYS  13          1HB       LYS  13  -6.679  12.099   1.210
   90   2HB   LYS  13          2HB       LYS  13  -5.497  13.187   1.909
   91   1HG   LYS  13          1HG       LYS  13  -4.815  14.005  -0.264
   92   2HG   LYS  13          2HG       LYS  13  -5.659  12.714  -1.096
   93   1HD   LYS  13          1HD       LYS  13  -7.551  14.120   0.596
   94   2HD   LYS  13          2HD       LYS  13  -6.672  15.298  -0.358
   95   1HE   LYS  13          1HE       LYS  13  -7.324  14.264  -2.437
   96   2HE   LYS  13          2HE       LYS  13  -7.859  12.801  -1.635
   97   1HZ   LYS  13          1HZ       LYS  13  -9.390  14.956  -2.242
   98   2HZ   LYS  13          2HZ       LYS  13  -9.822  13.708  -1.281
   99   3HZ   LYS  13          3HZ       LYS  13  -9.198  15.067  -0.624
  100    H    GLU  14           H        GLU  14  -3.938  12.242   3.347
  101    HA   GLU  14           HA       GLU  14  -1.508  13.423   2.567
  102   1HB   GLU  14          1HB       GLU  14  -3.160  13.757   4.685
  103   2HB   GLU  14          2HB       GLU  14  -1.995  12.684   5.436
  104   1HG   GLU  14          1HG       GLU  14  -0.881  14.658   5.851
  105   2HG   GLU  14          2HG       GLU  14  -0.253  14.384   4.238
  106    H    ALA  15           H        ALA  15  -2.368  10.416   4.409
  107    HA   ALA  15           HA       ALA  15   0.072   9.491   5.069
  108   1HB   ALA  15          1HB       ALA  15  -1.254   7.220   4.137
  109   2HB   ALA  15          2HB       ALA  15  -1.415   7.940   5.757
  110   3HB   ALA  15          3HB       ALA  15  -2.571   8.369   4.474
  111    H    PHE  16           H        PHE  16  -1.522   9.251   1.830
  112    HA   PHE  16           HA       PHE  16   0.061   7.671   0.440
  113   1HB   PHE  16          1HB       PHE  16  -1.765   9.107  -0.481
  114   2HB   PHE  16          2HB       PHE  16  -0.816  10.551  -0.189
  115    HD1  PHE  16           HD1      PHE  16  -0.516   7.317  -2.039
  116    HD2  PHE  16           HD2      PHE  16   0.273  11.486  -1.989
  117    HE1  PHE  16           HE1      PHE  16   0.429   7.166  -4.359
  118    HE2  PHE  16           HE2      PHE  16   1.218  11.335  -4.309
  119    HZ   PHE  16           HZ       PHE  16   1.285   9.177  -5.467
  120    H    SER  17           H        SER  17   0.911  11.142   1.120
  121    HA   SER  17           HA       SER  17   3.191  11.398  -0.162
  122   1HB   SER  17          1HB       SER  17   2.570  13.251   1.127
  123   2HB   SER  17          2HB       SER  17   2.330  12.301   2.580
  124    HG   SER  17           HG       SER  17   4.624  13.575   1.653
  125    H    LEU  18           H        LEU  18   2.820   9.716   3.030
  126    HA   LEU  18           HA       LEU  18   5.567   9.031   3.187
  127   1HB   LEU  18          1HB       LEU  18   3.127   8.001   4.639
  128   2HB   LEU  18          2HB       LEU  18   4.775   7.548   5.028
  129    HG   LEU  18           HG       LEU  18   3.662  10.365   5.154
  130   1HD1  LEU  18          1HD1      LEU  18   2.713   8.801   6.845
  131   2HD1  LEU  18          2HD1      LEU  18   4.364   8.510   7.443
  132   3HD1  LEU  18          3HD1      LEU  18   3.655  10.140   7.544
  133   1HD2  LEU  18          1HD2      LEU  18   6.044  10.350   4.634
  134   2HD2  LEU  18          2HD2      LEU  18   5.757  10.936   6.290
  135   3HD2  LEU  18          3HD2      LEU  18   6.355   9.281   6.023
  136    H    PHE  19           H        PHE  19   2.587   7.034   2.575
  137    HA   PHE  19           HA       PHE  19   3.711   4.674   2.016
  138   1HB   PHE  19          1HB       PHE  19   1.490   6.273   0.628
  139   2HB   PHE  19          2HB       PHE  19   1.776   4.593   0.222
  140    HD1  PHE  19           HD1      PHE  19   2.421   3.567   2.988
  141    HD2  PHE  19           HD2      PHE  19  -0.648   6.144   1.591
  142    HE1  PHE  19           HE1      PHE  19   0.955   2.856   4.897
  143    HE2  PHE  19           HE2      PHE  19  -2.114   5.433   3.501
  144    HZ   PHE  19           HZ       PHE  19  -1.295   3.798   5.131
  145    H    ASP  20           H        ASP  20   3.459   7.473  -0.264
  146    HA   ASP  20           HA       ASP  20   4.801   5.970  -2.286
  147   1HB   ASP  20          1HB       ASP  20   3.044   8.086  -2.319
  148   2HB   ASP  20          2HB       ASP  20   4.559   8.944  -2.516
  149    H    LYS  21           H        LYS  21   6.969   5.572  -1.605
  150    HA   LYS  21           HA       LYS  21   8.483   7.623  -0.314
  151   1HB   LYS  21          1HB       LYS  21   9.518   5.028  -1.473
  152   2HB   LYS  21          2HB       LYS  21  10.221   5.995  -0.193
  153   1HG   LYS  21          1HG       LYS  21   7.508   4.598  -0.030
  154   2HG   LYS  21          2HG       LYS  21   8.991   3.985   0.674
  155   1HD   LYS  21          1HD       LYS  21   9.162   5.924   2.167
  156   2HD   LYS  21          2HD       LYS  21   7.817   6.715   1.371
  157   1HE   LYS  21          1HE       LYS  21   6.325   4.790   2.074
  158   2HE   LYS  21          2HE       LYS  21   7.676   4.106   2.956
  159   1HZ   LYS  21          1HZ       LYS  21   6.075   5.613   4.183
  160   2HZ   LYS  21          2HZ       LYS  21   7.671   5.856   4.431
  161   3HZ   LYS  21          3HZ       LYS  21   6.834   6.858   3.450
  162    H    ASP  22           H        ASP  22   8.852   5.867  -3.480
  163    HA   ASP  22           HA       ASP  22  10.814   7.472  -4.461
  164   1HB   ASP  22          1HB       ASP  22  10.086   6.690  -6.701
  165   2HB   ASP  22          2HB       ASP  22  10.089   5.378  -5.539
  166    H    GLY  23           H        GLY  23   7.206   7.767  -4.657
  167   1HA   GLY  23          1HA       GLY  23   5.956   9.672  -4.788
  168   2HA   GLY  23          2HA       GLY  23   7.408  10.632  -4.988
  169    H    ASP  24           H        ASP  24   6.529   7.733  -6.935
  170    HA   ASP  24           HA       ASP  24   6.670   9.432  -9.265
  171   1HB   ASP  24          1HB       ASP  24   7.135   7.476 -10.495
  172   2HB   ASP  24          2HB       ASP  24   7.894   7.146  -8.950
  173    H    GLY  25           H        GLY  25   4.423   7.836  -7.138
  174   1HA   GLY  25          1HA       GLY  25   2.103   8.555  -7.435
  175   2HA   GLY  25          2HA       GLY  25   2.255   8.135  -9.130
  176    H    THR  26           H        THR  26   4.143   5.851  -7.643
  177    HA   THR  26           HA       THR  26   1.893   4.090  -6.976
  178    HB   THR  26           HB       THR  26   3.319   2.324  -8.325
  179    HG1  THR  26           HG1      THR  26   4.857   3.317  -9.631
  180   1HG2  THR  26          1HG2      THR  26   2.041   2.703 -10.271
  181   2HG2  THR  26          2HG2      THR  26   1.083   3.596  -9.065
  182   3HG2  THR  26          3HG2      THR  26   2.197   4.472 -10.143
  183    H    ILE  27           H        ILE  27   2.297   2.542  -5.397
  184    HA   ILE  27           HA       ILE  27   4.686   3.123  -3.847
  185    HB   ILE  27           HB       ILE  27   1.996   1.978  -3.318
  186   1HG1  ILE  27          1HG1      ILE  27   2.473   3.371  -1.172
  187   2HG1  ILE  27          2HG1      ILE  27   3.822   4.029  -2.076
  188   1HG2  ILE  27          1HG2      ILE  27   3.081   1.295  -0.999
  189   2HG2  ILE  27          2HG2      ILE  27   2.992   0.158  -2.366
  190   3HG2  ILE  27          3HG2      ILE  27   4.511   1.020  -2.023
  191   1HD1  ILE  27          1HD1      ILE  27   0.896   4.433  -2.473
  192   2HD1  ILE  27          2HD1      ILE  27   2.254   5.533  -2.811
  193   3HD1  ILE  27          3HD1      ILE  27   1.848   4.240  -3.965
  194    H    THR  28           H        THR  28   6.302   2.129  -5.151
  195    HA   THR  28           HA       THR  28   6.159  -0.404  -6.238
  196    HB   THR  28           HB       THR  28   8.392   1.397  -5.219
  197    HG1  THR  28           HG1      THR  28   8.014   0.286  -7.852
  198   1HG2  THR  28          1HG2      THR  28   8.606  -1.370  -6.508
  199   2HG2  THR  28          2HG2      THR  28   9.908  -0.159  -6.596
  200   3HG2  THR  28          3HG2      THR  28   9.404  -0.811  -5.018
  201    H    THR  29           H        THR  29   6.907  -2.479  -5.600
  202    HA   THR  29           HA       THR  29   5.993  -3.386  -3.206
  203    HB   THR  29           HB       THR  29   7.366  -5.388  -3.727
  204    HG1  THR  29           HG1      THR  29   9.364  -4.705  -4.430
  205   1HG2  THR  29          1HG2      THR  29   7.093  -4.694  -6.533
  206   2HG2  THR  29          2HG2      THR  29   6.093  -5.812  -5.574
  207   3HG2  THR  29          3HG2      THR  29   5.672  -4.084  -5.650
  208    H    LYS  30           H        LYS  30   9.402  -2.388  -3.922
  209    HA   LYS  30           HA       LYS  30  10.328  -2.897  -1.341
  210   1HB   LYS  30          1HB       LYS  30  12.306  -1.864  -2.027
  211   2HB   LYS  30          2HB       LYS  30  11.636  -2.516  -3.509
  212   1HG   LYS  30          1HG       LYS  30  10.451  -0.044  -3.514
  213   2HG   LYS  30          2HG       LYS  30  11.927   0.337  -2.649
  214   1HD   LYS  30          1HD       LYS  30  11.987  -1.233  -5.256
  215   2HD   LYS  30          2HD       LYS  30  11.954   0.519  -5.252
  216   1HE   LYS  30          1HE       LYS  30  13.959  -0.409  -3.354
  217   2HE   LYS  30          2HE       LYS  30  14.226  -1.185  -4.902
  218   1HZ   LYS  30          1HZ       LYS  30  15.058   1.247  -4.325
  219   2HZ   LYS  30          2HZ       LYS  30  14.743   0.754  -5.849
  220   3HZ   LYS  30          3HZ       LYS  30  13.632   1.622  -5.026
  221    H    GLU  31           H        GLU  31   8.641  -0.109  -2.806
  222    HA   GLU  31           HA       GLU  31   9.171   1.653  -0.713
  223   1HB   GLU  31          1HB       GLU  31   6.941   1.554  -2.785
  224   2HB   GLU  31          2HB       GLU  31   7.137   2.887  -1.664
  225   1HG   GLU  31          1HG       GLU  31   9.400   3.348  -2.531
  226   2HG   GLU  31          2HG       GLU  31   9.333   1.930  -3.560
  227    H    LEU  32           H        LEU  32   6.830  -0.967  -1.170
  228    HA   LEU  32           HA       LEU  32   4.963  -0.154   0.753
  229   1HB   LEU  32          1HB       LEU  32   4.428  -1.780  -0.919
  230   2HB   LEU  32          2HB       LEU  32   5.702  -2.853  -0.374
  231    HG   LEU  32           HG       LEU  32   3.394  -2.090   1.418
  232   1HD1  LEU  32          1HD1      LEU  32   1.974  -3.247   0.170
  233   2HD1  LEU  32          2HD1      LEU  32   3.263  -3.659  -0.986
  234   3HD1  LEU  32          3HD1      LEU  32   2.969  -4.699   0.429
  235   1HD2  LEU  32          1HD2      LEU  32   5.554  -4.179   1.465
  236   2HD2  LEU  32          2HD2      LEU  32   5.035  -3.049   2.739
  237   3HD2  LEU  32          3HD2      LEU  32   4.015  -4.446   2.319
  238    H    GLY  33           H        GLY  33   7.913  -2.240   0.935
  239   1HA   GLY  33          1HA       GLY  33   7.646  -2.902   3.657
  240   2HA   GLY  33          2HA       GLY  33   9.111  -2.958   2.696
  241    H    THR  34           H        THR  34   8.668   0.045   1.998
  242    HA   THR  34           HA       THR  34  10.368   1.072   3.983
  243    HB   THR  34           HB       THR  34   8.569   2.594   2.030
  244    HG1  THR  34           HG1      THR  34  11.230   1.387   1.756
  245   1HG2  THR  34          1HG2      THR  34  11.156   3.142   3.511
  246   2HG2  THR  34          2HG2      THR  34  10.941   3.821   1.880
  247   3HG2  THR  34          3HG2      THR  34   9.801   4.247   3.180
  248    H    VAL  35           H        VAL  35   6.805   1.363   3.482
  249    HA   VAL  35           HA       VAL  35   6.492   3.073   5.723
  250    HB   VAL  35           HB       VAL  35   4.452   1.341   4.318
  251   1HG1  VAL  35          1HG1      VAL  35   4.240   3.808   6.065
  252   2HG1  VAL  35          2HG1      VAL  35   2.919   3.243   5.014
  253   3HG1  VAL  35          3HG1      VAL  35   3.517   2.203   6.329
  254   1HG2  VAL  35          1HG2      VAL  35   4.251   2.864   2.617
  255   2HG2  VAL  35          2HG2      VAL  35   4.830   4.222   3.612
  256   3HG2  VAL  35          3HG2      VAL  35   5.990   3.041   2.959
  257    H    MET  36           H        MET  36   5.781  -0.442   5.131
  258    HA   MET  36           HA       MET  36   4.797  -1.165   7.474
  259   1HB   MET  36          1HB       MET  36   7.007  -2.563   5.869
  260   2HB   MET  36          2HB       MET  36   6.068  -3.368   7.110
  261   1HG   MET  36          1HG       MET  36   4.712  -1.960   4.774
  262   2HG   MET  36          2HG       MET  36   5.277  -3.613   4.633
  263   1HE   MET  36          1HE       MET  36   2.849  -1.382   5.139
  264   2HE   MET  36          2HE       MET  36   1.527  -2.573   5.095
  265   3HE   MET  36          3HE       MET  36   1.889  -1.700   6.604
  266    H    ARG  37           H        ARG  37   8.382  -1.139   6.817
  267    HA   ARG  37           HA       ARG  37   9.064  -1.680   9.431
  268   1HB   ARG  37          1HB       ARG  37  11.341  -0.791   8.747
  269   2HB   ARG  37          2HB       ARG  37  10.683  -1.973   7.633
  270   1HG   ARG  37          1HG       ARG  37  11.231  -0.381   6.064
  271   2HG   ARG  37          2HG       ARG  37   9.661   0.270   6.492
  272   1HD   ARG  37          1HD       ARG  37  10.559   2.080   7.613
  273   2HD   ARG  37          2HD       ARG  37  11.893   1.151   8.267
  274    HE   ARG  37           HE       ARG  37  12.170   1.446   5.399
  275   1HH1  ARG  37          2HH2      ARG  37  12.575   3.182   8.433
  276   2HH1  ARG  37          1HH2      ARG  37  13.785   4.251   7.808
  277   1HH2  ARG  37          2HH1      ARG  37  13.766   2.857   4.573
  278   2HH2  ARG  37          1HH1      ARG  37  14.467   4.065   5.597
  279    H    SER  38           H        SER  38   8.348   1.366   7.698
  280    HA   SER  38           HA       SER  38   9.470   3.211   9.287
  281   1HB   SER  38          1HB       SER  38   7.897   3.415   7.191
  282   2HB   SER  38          2HB       SER  38   6.600   3.540   8.364
  283    HG   SER  38           HG       SER  38   7.335   5.488   9.064
  284    H    LEU  39           H        LEU  39   6.870   0.976  10.074
  285    HA   LEU  39           HA       LEU  39   6.020   2.516  12.368
  286   1HB   LEU  39          1HB       LEU  39   5.197  -0.207  11.350
  287   2HB   LEU  39          2HB       LEU  39   4.472   0.625  12.711
  288    HG   LEU  39           HG       LEU  39   4.494   1.712   9.883
  289   1HD1  LEU  39          1HD1      LEU  39   1.945   1.091  10.172
  290   2HD1  LEU  39          2HD1      LEU  39   3.129  -0.098   9.578
  291   3HD1  LEU  39          3HD1      LEU  39   2.604  -0.137  11.279
  292   1HD2  LEU  39          1HD2      LEU  39   2.406   2.653  11.682
  293   2HD2  LEU  39          2HD2      LEU  39   4.039   3.021  12.288
  294   3HD2  LEU  39          3HD2      LEU  39   3.547   3.568  10.667
  295    H    GLY  40           H        GLY  40   7.389  -0.807  11.798
  296   1HA   GLY  40          1HA       GLY  40   9.542  -0.889  13.301
  297   2HA   GLY  40          2HA       GLY  40   8.332  -0.833  14.568
  298    H    GLN  41           H        GLN  41   8.760  -2.533  11.372
  299    HA   GLN  41           HA       GLN  41   8.180  -4.996  12.813
  300   1HB   GLN  41          1HB       GLN  41   6.825  -3.868  10.387
  301   2HB   GLN  41          2HB       GLN  41   7.120  -5.595  10.390
  302   1HG   GLN  41          1HG       GLN  41   5.840  -4.216  12.781
  303   2HG   GLN  41          2HG       GLN  41   4.877  -4.729  11.410
  304   1HE2  GLN  41          1HE2      GLN  41   6.871  -5.716  14.085
  305   2HE2  GLN  41          2HE2      GLN  41   6.456  -7.398  14.105
  306    H    ASN  42           H        ASN  42   9.463  -3.485   9.777
  307    HA   ASN  42           HA       ASN  42  11.206  -3.926   8.565
  308   1HB   ASN  42          1HB       ASN  42  12.109  -4.509  11.142
  309   2HB   ASN  42          2HB       ASN  42  12.475  -5.998  10.294
  310   1HD2  ASN  42          1HD2      ASN  42  12.552  -2.495   9.622
  311   2HD2  ASN  42          2HD2      ASN  42  14.145  -2.438   8.944
  312    HA   PRO  43           HA       PRO  43   9.316  -8.058   7.655
  313   1HB   PRO  43          1HB       PRO  43   7.607  -7.348   5.644
  314   2HB   PRO  43          2HB       PRO  43   7.103  -7.519   7.314
  315   1HG   PRO  43          1HG       PRO  43   7.554  -5.046   5.758
  316   2HG   PRO  43          2HG       PRO  43   6.662  -5.256   7.252
  317   1HD   PRO  43          1HD       PRO  43   9.290  -4.143   6.963
  318   2HD   PRO  43          2HD       PRO  43   8.445  -4.459   8.465
  319    H    THR  44           H        THR  44   9.036  -9.155   5.314
  320    HA   THR  44           HA       THR  44  11.544  -8.383   3.988
  321    HB   THR  44           HB       THR  44  11.088 -10.856   3.061
  322    HG1  THR  44           HG1      THR  44   9.486 -11.837   4.264
  323   1HG2  THR  44          1HG2      THR  44  12.889 -11.175   4.438
  324   2HG2  THR  44          2HG2      THR  44  12.380  -9.839   5.499
  325   3HG2  THR  44          3HG2      THR  44  11.725 -11.475   5.751
  326    H    GLU  45           H        GLU  45  11.633  -7.859   1.844
  327    HA   GLU  45           HA       GLU  45   9.274  -6.896   0.729
  328   1HB   GLU  45          1HB       GLU  45  10.663  -6.404  -1.249
  329   2HB   GLU  45          2HB       GLU  45  11.504  -5.959   0.223
  330   1HG   GLU  45          1HG       GLU  45  12.097  -8.735  -0.404
  331   2HG   GLU  45          2HG       GLU  45  12.387  -7.754  -1.827
  332    H    ALA  46           H        ALA  46  10.755 -10.059   0.762
  333    HA   ALA  46           HA       ALA  46   9.675 -11.001  -1.682
  334   1HB   ALA  46          1HB       ALA  46  10.324 -12.754   0.688
  335   2HB   ALA  46          2HB       ALA  46  10.607 -13.047  -1.045
  336   3HB   ALA  46          3HB       ALA  46  11.626 -11.887  -0.160
  337    H    GLU  47           H        GLU  47   8.735 -11.511   1.797
  338    HA   GLU  47           HA       GLU  47   6.462 -12.925   1.280
  339   1HB   GLU  47          1HB       GLU  47   7.384 -11.167   3.547
  340   2HB   GLU  47          2HB       GLU  47   5.726 -11.731   3.563
  341   1HG   GLU  47          1HG       GLU  47   7.671 -13.865   2.894
  342   2HG   GLU  47          2HG       GLU  47   7.938 -13.166   4.479
  343    H    LEU  48           H        LEU  48   6.969  -9.358   1.432
  344    HA   LEU  48           HA       LEU  48   4.217  -8.749   1.129
  345   1HB   LEU  48          1HB       LEU  48   6.786  -7.208   0.961
  346   2HB   LEU  48          2HB       LEU  48   5.273  -6.469   0.476
  347    HG   LEU  48           HG       LEU  48   5.694  -5.818   2.719
  348   1HD1  LEU  48          1HD1      LEU  48   3.375  -7.143   1.965
  349   2HD1  LEU  48          2HD1      LEU  48   3.772  -7.842   3.553
  350   3HD1  LEU  48          3HD1      LEU  48   3.584  -6.080   3.378
  351   1HD2  LEU  48          1HD2      LEU  48   5.869  -7.632   4.536
  352   2HD2  LEU  48          2HD2      LEU  48   6.295  -8.730   3.202
  353   3HD2  LEU  48          3HD2      LEU  48   7.301  -7.300   3.533
  354    H    GLN  49           H        GLN  49   6.809  -9.714  -1.029
  355    HA   GLN  49           HA       GLN  49   5.961  -8.514  -3.346
  356   1HB   GLN  49          1HB       GLN  49   8.096  -9.893  -2.863
  357   2HB   GLN  49          2HB       GLN  49   7.134 -11.317  -3.206
  358   1HG   GLN  49          1HG       GLN  49   6.652 -10.536  -5.473
  359   2HG   GLN  49          2HG       GLN  49   7.369  -8.971  -5.144
  360   1HE2  GLN  49          1HE2      GLN  49   9.347  -8.669  -5.806
  361   2HE2  GLN  49          2HE2      GLN  49  10.555  -9.875  -6.101
  362    H    ASP  50           H        ASP  50   4.785 -11.433  -1.644
  363    HA   ASP  50           HA       ASP  50   3.233 -12.353  -3.787
  364   1HB   ASP  50          1HB       ASP  50   4.019 -13.604  -1.651
  365   2HB   ASP  50          2HB       ASP  50   2.689 -12.817  -0.825
  366    H    MET  51           H        MET  51   2.807 -10.055  -1.082
  367    HA   MET  51           HA       MET  51   0.006  -9.935  -1.239
  368   1HB   MET  51          1HB       MET  51   2.228  -8.242  -0.030
  369   2HB   MET  51          2HB       MET  51   0.593  -7.611  -0.034
  370   1HG   MET  51          1HG       MET  51   0.740 -10.425   0.887
  371   2HG   MET  51          2HG       MET  51   1.665  -9.328   1.893
  372   1HE   MET  51          1HE       MET  51  -0.534  -7.680   4.027
  373   2HE   MET  51          2HE       MET  51   1.061  -7.819   3.248
  374   3HE   MET  51          3HE       MET  51  -0.108  -6.606   2.674
  375    H    ILE  52           H        ILE  52   2.624  -7.669  -2.364
  376    HA   ILE  52           HA       ILE  52   1.012  -5.810  -3.564
  377    HB   ILE  52           HB       ILE  52   3.004  -5.355  -5.005
  378   1HG1  ILE  52          1HG1      ILE  52   5.095  -6.688  -4.101
  379   2HG1  ILE  52          2HG1      ILE  52   3.909  -7.933  -3.763
  380   1HG2  ILE  52          1HG2      ILE  52   2.634  -5.048  -2.221
  381   2HG2  ILE  52          2HG2      ILE  52   4.345  -5.469  -2.467
  382   3HG2  ILE  52          3HG2      ILE  52   3.642  -4.071  -3.315
  383   1HD1  ILE  52          1HD1      ILE  52   5.143  -7.502  -6.222
  384   2HD1  ILE  52          2HD1      ILE  52   3.657  -8.449  -5.967
  385   3HD1  ILE  52          3HD1      ILE  52   3.551  -6.736  -6.439
  386    H    ASN  53           H        ASN  53   2.073  -9.022  -4.746
  387    HA   ASN  53           HA       ASN  53   1.223  -8.647  -7.361
  388   1HB   ASN  53          1HB       ASN  53   2.186 -10.834  -5.668
  389   2HB   ASN  53          2HB       ASN  53   0.871 -11.405  -6.676
  390   1HD2  ASN  53          1HD2      ASN  53   4.040 -11.342  -6.532
  391   2HD2  ASN  53          2HD2      ASN  53   4.505 -11.191  -8.193
  392    H    GLU  54           H        GLU  54  -0.382  -9.589  -4.307
  393    HA   GLU  54           HA       GLU  54  -2.705 -10.605  -5.523
  394   1HB   GLU  54          1HB       GLU  54  -2.105 -11.286  -3.266
  395   2HB   GLU  54          2HB       GLU  54  -2.110  -9.628  -2.700
  396   1HG   GLU  54          1HG       GLU  54  -4.234 -10.233  -2.004
  397   2HG   GLU  54          2HG       GLU  54  -4.638  -9.684  -3.618
  398    H    VAL  55           H        VAL  55  -2.055  -7.519  -3.699
  399    HA   VAL  55           HA       VAL  55  -4.503  -6.347  -4.221
  400    HB   VAL  55           HB       VAL  55  -3.478  -4.314  -3.534
  401   1HG1  VAL  55          1HG1      VAL  55  -1.971  -6.511  -2.086
  402   2HG1  VAL  55          2HG1      VAL  55  -2.515  -4.944  -1.440
  403   3HG1  VAL  55          3HG1      VAL  55  -3.709  -6.195  -1.861
  404   1HG2  VAL  55          1HG2      VAL  55  -0.841  -5.633  -4.247
  405   2HG2  VAL  55          2HG2      VAL  55  -1.567  -4.178  -4.972
  406   3HG2  VAL  55          3HG2      VAL  55  -0.975  -4.135  -3.294
  407    H    ASP  56           H        ASP  56  -1.421  -6.300  -6.105
  408    HA   ASP  56           HA       ASP  56  -2.157  -4.470  -7.976
  409   1HB   ASP  56          1HB       ASP  56   0.104  -5.438  -7.817
  410   2HB   ASP  56          2HB       ASP  56  -0.501  -7.017  -8.276
  411    H    ALA  57           H        ALA  57  -4.090  -4.531  -9.150
  412    HA   ALA  57           HA       ALA  57  -5.017  -7.157 -10.069
  413   1HB   ALA  57          1HB       ALA  57  -6.875  -6.352  -9.035
  414   2HB   ALA  57          2HB       ALA  57  -6.304  -4.667  -9.104
  415   3HB   ALA  57          3HB       ALA  57  -7.075  -5.405 -10.529
  416    H    ASP  58           H        ASP  58  -4.357  -3.749 -11.070
  417    HA   ASP  58           HA       ASP  58  -5.132  -3.820 -13.622
  418   1HB   ASP  58          1HB       ASP  58  -2.924  -2.393 -14.008
  419   2HB   ASP  58          2HB       ASP  58  -4.214  -1.775 -12.996
  420    H    GLY  59           H        GLY  59  -2.412  -5.508 -12.080
  421   1HA   GLY  59          1HA       GLY  59  -1.402  -7.405 -12.951
  422   2HA   GLY  59          2HA       GLY  59  -1.886  -6.946 -14.571
  423    H    ASP  60           H        ASP  60   0.682  -6.993 -12.297
  424    HA   ASP  60           HA       ASP  60   2.571  -6.214 -14.063
  425   1HB   ASP  60          1HB       ASP  60   3.161  -3.925 -12.842
  426   2HB   ASP  60          2HB       ASP  60   2.047  -3.952 -14.194
  427    H    GLY  61           H        GLY  61   1.794  -5.139 -10.657
  428   1HA   GLY  61          1HA       GLY  61   2.592  -6.724  -8.899
  429   2HA   GLY  61          2HA       GLY  61   4.137  -6.688  -9.725
  430    H    THR  62           H        THR  62   1.831  -3.952  -9.192
  431    HA   THR  62           HA       THR  62   3.707  -2.797  -7.269
  432    HB   THR  62           HB       THR  62   2.663  -1.308  -9.732
  433    HG1  THR  62           HG1      THR  62   4.210  -2.873 -10.405
  434   1HG2  THR  62          1HG2      THR  62   3.337   0.159  -7.824
  435   2HG2  THR  62          2HG2      THR  62   4.883  -0.715  -7.704
  436   3HG2  THR  62          3HG2      THR  62   4.522   0.262  -9.148
  437    H    ILE  63           H        ILE  63   2.740  -0.821  -6.187
  438    HA   ILE  63           HA       ILE  63  -0.075  -1.435  -5.700
  439    HB   ILE  63           HB       ILE  63   1.929   0.133  -4.073
  440   1HG1  ILE  63          1HG1      ILE  63   1.193  -2.736  -4.183
  441   2HG1  ILE  63          2HG1      ILE  63   2.697  -1.971  -3.710
  442   1HG2  ILE  63          1HG2      ILE  63  -0.320   0.967  -3.708
  443   2HG2  ILE  63          2HG2      ILE  63  -0.919  -0.688  -3.440
  444   3HG2  ILE  63          3HG2      ILE  63   0.230   0.040  -2.291
  445   1HD1  ILE  63          1HD1      ILE  63   1.724  -1.302  -1.540
  446   2HD1  ILE  63          2HD1      ILE  63   0.152  -1.983  -2.022
  447   3HD1  ILE  63          3HD1      ILE  63   1.549  -3.058  -1.778
  448    H    ASP  64           H        ASP  64  -1.507   0.522  -5.212
  449    HA   ASP  64           HA       ASP  64  -0.663   2.892  -6.596
  450   1HB   ASP  64          1HB       ASP  64  -1.909   1.108  -8.159
  451   2HB   ASP  64          2HB       ASP  64  -3.346   1.731  -7.372
  452    H    PHE  65           H        PHE  65  -2.311   4.702  -6.197
  453    HA   PHE  65           HA       PHE  65  -3.074   4.859  -3.583
  454   1HB   PHE  65          1HB       PHE  65  -3.213   6.347  -6.022
  455   2HB   PHE  65          2HB       PHE  65  -4.874   6.276  -5.466
  456    HD1  PHE  65           HD1      PHE  65  -4.587   6.431  -2.555
  457    HD2  PHE  65           HD2      PHE  65  -2.484   8.505  -5.603
  458    HE1  PHE  65           HE1      PHE  65  -4.134   8.315  -0.960
  459    HE2  PHE  65           HE2      PHE  65  -2.032  10.389  -4.008
  460    HZ   PHE  65           HZ       PHE  65  -2.862  10.272  -1.706
  461    HA   PRO  66           HA       PRO  66  -7.406   3.449  -4.886
  462   1HB   PRO  66          1HB       PRO  66  -7.811   2.376  -7.366
  463   2HB   PRO  66          2HB       PRO  66  -8.120   4.059  -6.989
  464   1HG   PRO  66          1HG       PRO  66  -5.872   2.882  -8.505
  465   2HG   PRO  66          2HG       PRO  66  -6.426   4.544  -8.477
  466   1HD   PRO  66          1HD       PRO  66  -4.126   3.479  -7.134
  467   2HD   PRO  66          2HD       PRO  66  -4.747   5.114  -7.013
  468    H    GLU  67           H        GLU  67  -4.700   1.606  -5.985
  469    HA   GLU  67           HA       GLU  67  -5.979  -0.872  -5.636
  470   1HB   GLU  67          1HB       GLU  67  -3.144   0.066  -6.046
  471   2HB   GLU  67          2HB       GLU  67  -3.401  -1.583  -5.510
  472   1HG   GLU  67          1HG       GLU  67  -4.950  -1.961  -7.448
  473   2HG   GLU  67          2HG       GLU  67  -4.667  -0.318  -7.988
  474    H    PHE  68           H        PHE  68  -3.397   0.818  -3.698
  475    HA   PHE  68           HA       PHE  68  -3.325  -0.922  -1.597
  476   1HB   PHE  68          1HB       PHE  68  -2.045   1.330  -2.265
  477   2HB   PHE  68          2HB       PHE  68  -3.274   2.123  -1.299
  478    HD1  PHE  68           HD1      PHE  68  -2.114   2.905   0.561
  479    HD2  PHE  68           HD2      PHE  68  -1.561  -1.120  -0.663
  480    HE1  PHE  68           HE1      PHE  68  -0.773   2.459   2.635
  481    HE2  PHE  68           HE2      PHE  68  -0.220  -1.567   1.411
  482    HZ   PHE  68           HZ       PHE  68   0.158   0.228   3.036
  483    H    LEU  69           H        LEU  69  -5.553   1.874  -2.131
  484    HA   LEU  69           HA       LEU  69  -6.759   1.947   0.320
  485   1HB   LEU  69          1HB       LEU  69  -7.650   3.619  -0.810
  486   2HB   LEU  69          2HB       LEU  69  -7.272   2.882  -2.354
  487    HG   LEU  69           HG       LEU  69  -9.361   1.515  -2.163
  488   1HD1  LEU  69          1HD1      LEU  69 -10.840   1.655  -0.443
  489   2HD1  LEU  69          2HD1      LEU  69  -9.347   2.013   0.457
  490   3HD1  LEU  69          3HD1      LEU  69 -10.415   3.340  -0.058
  491   1HD2  LEU  69          1HD2      LEU  69 -10.917   3.476  -2.566
  492   2HD2  LEU  69          2HD2      LEU  69  -9.532   4.532  -2.198
  493   3HD2  LEU  69          3HD2      LEU  69  -9.452   3.407  -3.575
  494    H    THR  70           H        THR  70  -7.427  -0.244  -2.467
  495    HA   THR  70           HA       THR  70  -9.624  -1.521  -1.216
  496    HB   THR  70           HB       THR  70  -7.770  -2.102  -3.565
  497    HG1  THR  70           HG1      THR  70 -10.614  -1.541  -3.090
  498   1HG2  THR  70          1HG2      THR  70 -10.272  -3.627  -3.527
  499   2HG2  THR  70          2HG2      THR  70  -8.617  -4.209  -3.830
  500   3HG2  THR  70          3HG2      THR  70  -9.232  -4.100  -2.163
  501    H    MET  71           H        MET  71  -6.094  -2.209  -1.348
  502    HA   MET  71           HA       MET  71  -6.166  -4.694  -0.235
  503   1HB   MET  71          1HB       MET  71  -4.083  -3.790  -1.083
  504   2HB   MET  71          2HB       MET  71  -4.189  -2.371  -0.060
  505   1HG   MET  71          1HG       MET  71  -4.186  -4.895   1.489
  506   2HG   MET  71          2HG       MET  71  -2.741  -4.697   0.518
  507   1HE   MET  71          1HE       MET  71  -1.001  -4.330   2.412
  508   2HE   MET  71          2HE       MET  71  -1.396  -3.446   3.906
  509   3HE   MET  71          3HE       MET  71  -2.342  -4.881   3.445
  510    H    MET  72           H        MET  72  -5.624  -1.555   1.537
  511    HA   MET  72           HA       MET  72  -5.659  -2.653   4.045
  512   1HB   MET  72          1HB       MET  72  -5.515  -0.085   2.851
  513   2HB   MET  72          2HB       MET  72  -6.924   0.021   3.888
  514   1HG   MET  72          1HG       MET  72  -5.686  -0.207   5.840
  515   2HG   MET  72          2HG       MET  72  -4.515  -1.284   5.105
  516   1HE   MET  72          1HE       MET  72  -4.082   2.805   6.261
  517   2HE   MET  72          2HE       MET  72  -4.859   1.332   6.890
  518   3HE   MET  72          3HE       MET  72  -3.084   1.461   6.867
  519    H    ALA  73           H        ALA  73  -8.394  -0.927   2.365
  520    HA   ALA  73           HA       ALA  73 -10.341  -1.243   4.197
  521   1HB   ALA  73          1HB       ALA  73 -11.011  -0.058   2.337
  522   2HB   ALA  73          2HB       ALA  73 -10.245  -1.194   1.201
  523   3HB   ALA  73          3HB       ALA  73 -11.790  -1.617   1.978
  524    H    ARG  74           H        ARG  74  -9.568  -3.652   1.580
  525    HA   ARG  74           HA       ARG  74 -11.344  -5.537   2.510
  526   1HB   ARG  74          1HB       ARG  74  -8.776  -5.768   0.876
  527   2HB   ARG  74          2HB       ARG  74  -9.792  -7.160   1.195
  528   1HG   ARG  74          1HG       ARG  74 -11.297  -4.796   0.211
  529   2HG   ARG  74          2HG       ARG  74 -10.109  -5.393  -0.931
  530   1HD   ARG  74          1HD       ARG  74 -11.200  -7.430  -1.228
  531   2HD   ARG  74          2HD       ARG  74 -11.813  -7.470   0.413
  532    HE   ARG  74           HE       ARG  74 -13.112  -5.297  -0.810
  533   1HH1  ARG  74          2HH2      ARG  74 -12.883  -8.767  -1.347
  534   2HH1  ARG  74          1HH2      ARG  74 -14.456  -8.890  -2.062
  535   1HH2  ARG  74          2HH1      ARG  74 -15.188  -5.458  -1.754
  536   2HH2  ARG  74          1HH1      ARG  74 -15.776  -6.994  -2.295
  537    H    LYS  75           H        LYS  75  -7.962  -4.773   3.389
  538    HA   LYS  75           HA       LYS  75  -7.368  -7.130   4.755
  539   1HB   LYS  75          1HB       LYS  75  -5.773  -5.328   3.994
  540   2HB   LYS  75          2HB       LYS  75  -6.310  -4.354   5.347
  541   1HG   LYS  75          1HG       LYS  75  -4.435  -5.444   6.255
  542   2HG   LYS  75          2HG       LYS  75  -5.746  -6.466   6.810
  543   1HD   LYS  75          1HD       LYS  75  -4.407  -7.067   4.158
  544   2HD   LYS  75          2HD       LYS  75  -3.623  -7.550   5.649
  545   1HE   LYS  75          1HE       LYS  75  -6.202  -8.434   6.109
  546   2HE   LYS  75          2HE       LYS  75  -6.092  -8.629   4.371
  547   1HZ   LYS  75          1HZ       LYS  75  -3.724  -9.548   5.433
  548   2HZ   LYS  75          2HZ       LYS  75  -4.911 -10.181   6.360
  549   3HZ   LYS  75          3HZ       LYS  75  -4.914 -10.431   4.746
  550    H    MET  76           H        MET  76  -8.490  -3.925   6.060
  551    HA   MET  76           HA       MET  76  -8.823  -4.854   8.634
  552   1HB   MET  76          1HB       MET  76 -10.274  -2.789   8.871
  553   2HB   MET  76          2HB       MET  76  -8.759  -2.453   8.055
  554   1HG   MET  76          1HG       MET  76  -9.833  -2.440   5.872
  555   2HG   MET  76          2HG       MET  76 -11.319  -3.101   6.525
  556   1HE   MET  76          1HE       MET  76 -12.916  -0.238   8.478
  557   2HE   MET  76          2HE       MET  76 -13.111  -1.836   7.717
  558   3HE   MET  76          3HE       MET  76 -12.010  -1.638   9.102
  559    H    LYS  77           H        LYS  77 -10.913  -5.062   5.764
  560    HA   LYS  77           HA       LYS  77 -13.326  -5.573   7.069
  561   1HB   LYS  77          1HB       LYS  77 -13.099  -4.948   4.691
  562   2HB   LYS  77          2HB       LYS  77 -12.366  -6.501   4.345
  563   1HG   LYS  77          1HG       LYS  77 -14.486  -7.588   5.330
  564   2HG   LYS  77          2HG       LYS  77 -15.202  -5.988   5.343
  565   1HD   LYS  77          1HD       LYS  77 -14.006  -6.412   2.744
  566   2HD   LYS  77          2HD       LYS  77 -14.975  -7.820   3.131
  567   1HE   LYS  77          1HE       LYS  77 -16.161  -5.092   3.660
  568   2HE   LYS  77          2HE       LYS  77 -16.065  -5.641   1.999
  569   1HZ   LYS  77          1HZ       LYS  77 -17.792  -6.508   4.053
  570   2HZ   LYS  77          2HZ       LYS  77 -17.895  -6.761   2.443
  571   3HZ   LYS  77          3HZ       LYS  77 -17.018  -7.776   3.374
  572    H    ASP  78           H        ASP  78 -10.962  -7.910   5.589
  573    HA   ASP  78           HA       ASP  78 -12.179 -10.176   6.397
  574   1HB   ASP  78          1HB       ASP  78  -9.457  -9.345   5.639
  575   2HB   ASP  78          2HB       ASP  78  -9.427 -10.693   6.758
  576    H    THR  79           H        THR  79  -9.407  -8.493   8.083
  577    HA   THR  79           HA       THR  79  -9.545 -10.042  10.415
  578    HB   THR  79           HB       THR  79  -7.644  -8.545   9.483
  579    HG1  THR  79           HG1      THR  79  -8.601  -8.156  12.231
  580   1HG2  THR  79          1HG2      THR  79  -9.414  -6.476   9.615
  581   2HG2  THR  79          2HG2      THR  79  -8.756  -6.392  11.266
  582   3HG2  THR  79          3HG2      THR  79  -7.667  -6.245   9.866
  Start of MODEL   19
    1   1H    ALA   1          1H        ALA   1 -17.093   8.022   8.170
    2    HA   ALA   1           HA       ALA   1 -18.938   9.726   7.642
    3   1HB   ALA   1          1HB       ALA   1 -17.458  10.852   6.242
    4   2HB   ALA   1          2HB       ALA   1 -16.366   9.695   7.041
    5   3HB   ALA   1          3HB       ALA   1 -16.962   9.367   5.396
    6    H    ASP   2           H        ASP   2 -18.648   9.979   4.536
    7    HA   ASP   2           HA       ASP   2 -21.120   9.430   3.812
    8   1HB   ASP   2          1HB       ASP   2 -19.622  10.502   2.261
    9   2HB   ASP   2          2HB       ASP   2 -18.536   9.127   2.238
   10    H    GLN   3           H        GLN   3 -18.356   7.121   3.980
   11    HA   GLN   3           HA       GLN   3 -20.136   4.952   4.253
   12   1HB   GLN   3          1HB       GLN   3 -18.660   5.320   1.630
   13   2HB   GLN   3          2HB       GLN   3 -19.037   3.711   2.215
   14   1HG   GLN   3          1HG       GLN   3 -21.482   4.802   2.555
   15   2HG   GLN   3          2HG       GLN   3 -20.909   5.893   1.308
   16   1HE2  GLN   3          1HE2      GLN   3 -22.983   3.780   1.330
   17   2HE2  GLN   3          2HE2      GLN   3 -22.622   2.716   0.012
   18    H    LEU   4           H        LEU   4 -16.768   5.777   3.144
   19    HA   LEU   4           HA       LEU   4 -15.515   5.073   5.478
   20   1HB   LEU   4          1HB       LEU   4 -16.174   2.852   5.390
   21   2HB   LEU   4          2HB       LEU   4 -15.992   2.749   3.650
   22    HG   LEU   4           HG       LEU   4 -14.296   1.502   5.074
   23   1HD1  LEU   4          1HD1      LEU   4 -14.096   2.208   2.608
   24   2HD1  LEU   4          2HD1      LEU   4 -12.967   3.450   3.198
   25   3HD1  LEU   4          3HD1      LEU   4 -12.615   1.726   3.470
   26   1HD2  LEU   4          1HD2      LEU   4 -12.299   3.103   5.654
   27   2HD2  LEU   4          2HD2      LEU   4 -13.586   4.327   5.776
   28   3HD2  LEU   4          3HD2      LEU   4 -13.642   2.871   6.799
   29    H    THR   5           H        THR   5 -15.293   4.641   1.886
   30    HA   THR   5           HA       THR   5 -12.564   5.152   1.684
   31    HB   THR   5           HB       THR   5 -14.987   5.329  -0.138
   32    HG1  THR   5           HG1      THR   5 -14.025   3.265   0.291
   33   1HG2  THR   5          1HG2      THR   5 -12.141   5.661  -1.152
   34   2HG2  THR   5          2HG2      THR   5 -13.670   5.976  -2.007
   35   3HG2  THR   5          3HG2      THR   5 -13.109   7.097  -0.743
   36    H    GLU   6           H        GLU   6 -15.238   7.304   2.390
   37    HA   GLU   6           HA       GLU   6 -14.039   9.637   1.442
   38   1HB   GLU   6          1HB       GLU   6 -16.425   9.560   1.912
   39   2HB   GLU   6          2HB       GLU   6 -16.141   9.143   3.590
   40   1HG   GLU   6          1HG       GLU   6 -15.436  11.311   4.163
   41   2HG   GLU   6          2HG       GLU   6 -14.910  11.689   2.535
   42    H    GLU   7           H        GLU   7 -14.308   8.290   4.815
   43    HA   GLU   7           HA       GLU   7 -12.533  10.221   5.829
   44   1HB   GLU   7          1HB       GLU   7 -12.623   8.825   7.906
   45   2HB   GLU   7          2HB       GLU   7 -14.212   9.208   7.275
   46   1HG   GLU   7          1HG       GLU   7 -14.666   7.020   6.684
   47   2HG   GLU   7          2HG       GLU   7 -13.009   6.683   6.222
   48    H    GLN   8           H        GLN   8 -12.185   7.063   4.300
   49    HA   GLN   8           HA       GLN   8  -9.643   6.505   5.363
   50   1HB   GLN   8          1HB       GLN   8 -11.526   5.303   3.476
   51   2HB   GLN   8          2HB       GLN   8  -9.885   5.176   2.874
   52   1HG   GLN   8          1HG       GLN   8 -10.744   4.353   5.688
   53   2HG   GLN   8          2HG       GLN   8 -10.588   3.240   4.344
   54   1HE2  GLN   8          1HE2      GLN   8  -8.911   2.030   4.896
   55   2HE2  GLN   8          2HE2      GLN   8  -7.309   2.591   5.239
   56    H    ILE   9           H        ILE   9 -10.694   7.540   2.030
   57    HA   ILE   9           HA       ILE   9  -8.188   7.987   1.013
   58    HB   ILE   9           HB       ILE   9  -9.287   9.399  -0.623
   59   1HG1  ILE   9          1HG1      ILE   9 -11.951   9.485  -0.120
   60   2HG1  ILE   9          2HG1      ILE   9 -11.334   9.657   1.511
   61   1HG2  ILE   9          1HG2      ILE   9  -9.564   7.185  -1.193
   62   2HG2  ILE   9          2HG2      ILE   9 -10.575   6.827   0.228
   63   3HG2  ILE   9          3HG2      ILE   9 -11.251   7.749  -1.137
   64   1HD1  ILE   9          1HD1      ILE   9 -11.149  11.531  -0.792
   65   2HD1  ILE   9          2HD1      ILE   9 -11.174  11.873   0.955
   66   3HD1  ILE   9          3HD1      ILE   9  -9.658  11.374   0.168
   67    H    ALA  10           H        ALA  10 -10.146   9.967   3.235
   68    HA   ALA  10           HA       ALA  10  -8.889  12.392   2.974
   69   1HB   ALA  10          1HB       ALA  10 -10.264  10.904   5.198
   70   2HB   ALA  10          2HB       ALA  10  -9.435  12.434   5.572
   71   3HB   ALA  10          3HB       ALA  10 -10.744  12.403   4.367
   72    H    GLU  11           H        GLU  11  -8.046   9.746   5.330
   73    HA   GLU  11           HA       GLU  11  -5.654  11.039   6.038
   74   1HB   GLU  11          1HB       GLU  11  -6.986   8.422   6.642
   75   2HB   GLU  11          2HB       GLU  11  -5.257   8.501   6.918
   76   1HG   GLU  11          1HG       GLU  11  -5.452  10.199   8.553
   77   2HG   GLU  11          2HG       GLU  11  -7.007  10.742   7.955
   78    H    PHE  12           H        PHE  12  -6.491   8.251   3.892
   79    HA   PHE  12           HA       PHE  12  -3.981   7.393   3.264
   80   1HB   PHE  12          1HB       PHE  12  -6.728   7.376   2.200
   81   2HB   PHE  12          2HB       PHE  12  -5.589   7.457   0.871
   82    HD1  PHE  12           HD1      PHE  12  -6.124   5.548   4.037
   83    HD2  PHE  12           HD2      PHE  12  -4.778   5.475   0.014
   84    HE1  PHE  12           HE1      PHE  12  -5.748   3.072   4.208
   85    HE2  PHE  12           HE2      PHE  12  -4.402   2.999   0.185
   86    HZ   PHE  12           HZ       PHE  12  -4.892   1.827   2.280
   87    H    LYS  13           H        LYS  13  -5.751  10.265   2.045
   88    HA   LYS  13           HA       LYS  13  -4.188  10.847  -0.145
   89   1HB   LYS  13          1HB       LYS  13  -6.351  11.930   0.597
   90   2HB   LYS  13          2HB       LYS  13  -5.418  12.872   1.741
   91   1HG   LYS  13          1HG       LYS  13  -4.001  13.728  -0.165
   92   2HG   LYS  13          2HG       LYS  13  -5.010  12.836  -1.287
   93   1HD   LYS  13          1HD       LYS  13  -6.524  14.573   0.599
   94   2HD   LYS  13          2HD       LYS  13  -5.465  15.448  -0.488
   95   1HE   LYS  13          1HE       LYS  13  -7.157  13.272  -1.696
   96   2HE   LYS  13          2HE       LYS  13  -7.986  14.727  -1.179
   97   1HZ   LYS  13          1HZ       LYS  13  -5.560  15.091  -2.702
   98   2HZ   LYS  13          2HZ       LYS  13  -6.855  14.519  -3.515
   99   3HZ   LYS  13          3HZ       LYS  13  -6.948  15.950  -2.734
  100    H    GLU  14           H        GLU  14  -3.799  12.126   3.239
  101    HA   GLU  14           HA       GLU  14  -1.318  13.271   2.615
  102   1HB   GLU  14          1HB       GLU  14  -3.017  13.814   4.536
  103   2HB   GLU  14          2HB       GLU  14  -2.206  12.537   5.421
  104   1HG   GLU  14          1HG       GLU  14  -0.357  13.821   5.809
  105   2HG   GLU  14          2HG       GLU  14  -0.290  14.385   4.151
  106    H    ALA  15           H        ALA  15  -2.379  10.127   3.962
  107    HA   ALA  15           HA       ALA  15   0.085   9.260   4.923
  108   1HB   ALA  15          1HB       ALA  15  -1.396   7.055   3.865
  109   2HB   ALA  15          2HB       ALA  15  -1.293   7.605   5.555
  110   3HB   ALA  15          3HB       ALA  15  -2.568   8.242   4.488
  111    H    PHE  16           H        PHE  16  -1.459   8.974   1.661
  112    HA   PHE  16           HA       PHE  16   0.159   7.354   0.341
  113   1HB   PHE  16          1HB       PHE  16  -1.685   8.750  -0.627
  114   2HB   PHE  16          2HB       PHE  16  -0.733  10.204  -0.400
  115    HD1  PHE  16           HD1      PHE  16   0.011   6.866  -1.917
  116    HD2  PHE  16           HD2      PHE  16  -0.097  11.077  -2.429
  117    HE1  PHE  16           HE1      PHE  16   0.954   6.609  -4.229
  118    HE2  PHE  16           HE2      PHE  16   0.846  10.821  -4.741
  119    HZ   PHE  16           HZ       PHE  16   1.360   8.590  -5.613
  120    H    SER  17           H        SER  17   0.981  10.785   1.165
  121    HA   SER  17           HA       SER  17   3.282  11.045  -0.181
  122   1HB   SER  17          1HB       SER  17   2.687  11.968   2.665
  123   2HB   SER  17          2HB       SER  17   4.007  12.582   1.689
  124    HG   SER  17           HG       SER  17   1.857  12.801   0.128
  125    H    LEU  18           H        LEU  18   2.801   9.459   3.040
  126    HA   LEU  18           HA       LEU  18   5.544   8.853   3.377
  127   1HB   LEU  18          1HB       LEU  18   3.006   7.888   4.681
  128   2HB   LEU  18          2HB       LEU  18   4.583   7.269   5.128
  129    HG   LEU  18           HG       LEU  18   3.795  10.192   5.264
  130   1HD1  LEU  18          1HD1      LEU  18   3.322   7.959   7.115
  131   2HD1  LEU  18          2HD1      LEU  18   4.123   9.366   7.855
  132   3HD1  LEU  18          3HD1      LEU  18   2.562   9.566   7.024
  133   1HD2  LEU  18          1HD2      LEU  18   6.113  10.173   5.081
  134   2HD2  LEU  18          2HD2      LEU  18   5.843  10.193   6.840
  135   3HD2  LEU  18          3HD2      LEU  18   6.279   8.673   6.025
  136    H    PHE  19           H        PHE  19   2.682   6.744   2.597
  137    HA   PHE  19           HA       PHE  19   3.952   4.427   2.128
  138   1HB   PHE  19          1HB       PHE  19   1.751   5.851   0.518
  139   2HB   PHE  19          2HB       PHE  19   2.082   4.138   0.360
  140    HD1  PHE  19           HD1      PHE  19  -0.492   5.647   1.286
  141    HD2  PHE  19           HD2      PHE  19   2.638   3.667   3.356
  142    HE1  PHE  19           HE1      PHE  19  -2.055   5.168   3.191
  143    HE2  PHE  19           HE2      PHE  19   1.075   3.188   5.261
  144    HZ   PHE  19           HZ       PHE  19  -1.252   3.945   5.156
  145    H    ASP  20           H        ASP  20   3.682   7.212  -0.160
  146    HA   ASP  20           HA       ASP  20   5.134   5.765  -2.143
  147   1HB   ASP  20          1HB       ASP  20   3.366   7.924  -2.148
  148   2HB   ASP  20          2HB       ASP  20   4.906   8.711  -2.433
  149    H    LYS  21           H        LYS  21   7.296   5.416  -1.441
  150    HA   LYS  21           HA       LYS  21   8.717   7.481  -0.058
  151   1HB   LYS  21          1HB       LYS  21   9.860   4.930  -1.212
  152   2HB   LYS  21          2HB       LYS  21  10.479   5.891   0.116
  153   1HG   LYS  21          1HG       LYS  21   7.780   4.458   0.147
  154   2HG   LYS  21          2HG       LYS  21   9.247   3.809   0.853
  155   1HD   LYS  21          1HD       LYS  21   9.383   5.631   2.462
  156   2HD   LYS  21          2HD       LYS  21   8.121   6.531   1.645
  157   1HE   LYS  21          1HE       LYS  21   6.503   4.651   2.169
  158   2HE   LYS  21          2HE       LYS  21   7.772   3.853   3.076
  159   1HZ   LYS  21          1HZ       LYS  21   6.090   5.822   3.968
  160   2HZ   LYS  21          2HZ       LYS  21   7.351   5.166   4.772
  161   3HZ   LYS  21          3HZ       LYS  21   7.563   6.523   3.888
  162    H    ASP  22           H        ASP  22   9.011   5.858  -3.296
  163    HA   ASP  22           HA       ASP  22  11.061   7.400  -4.214
  164   1HB   ASP  22          1HB       ASP  22  10.017   6.894  -6.527
  165   2HB   ASP  22          2HB       ASP  22  10.441   5.521  -5.524
  166    H    GLY  23           H        GLY  23   7.468   7.874  -4.398
  167   1HA   GLY  23          1HA       GLY  23   6.289   9.819  -4.454
  168   2HA   GLY  23          2HA       GLY  23   7.781  10.737  -4.511
  169    H    ASP  24           H        ASP  24   6.759   8.060  -6.714
  170    HA   ASP  24           HA       ASP  24   6.999   9.987  -8.878
  171   1HB   ASP  24          1HB       ASP  24   7.196   7.910 -10.322
  172   2HB   ASP  24          2HB       ASP  24   8.494   8.113  -9.163
  173    H    GLY  25           H        GLY  25   4.796   8.125  -6.972
  174   1HA   GLY  25          1HA       GLY  25   2.451   8.650  -7.285
  175   2HA   GLY  25          2HA       GLY  25   2.677   8.448  -9.011
  176    H    THR  26           H        THR  26   4.659   6.168  -7.491
  177    HA   THR  26           HA       THR  26   2.515   4.171  -7.322
  178    HB   THR  26           HB       THR  26   4.298   2.668  -8.569
  179    HG1  THR  26           HG1      THR  26   4.911   5.432  -9.348
  180   1HG2  THR  26          1HG2      THR  26   3.429   4.689 -10.556
  181   2HG2  THR  26          2HG2      THR  26   3.045   2.953 -10.475
  182   3HG2  THR  26          3HG2      THR  26   2.101   4.120  -9.517
  183    H    ILE  27           H        ILE  27   2.716   2.694  -5.700
  184    HA   ILE  27           HA       ILE  27   4.944   3.198  -3.891
  185    HB   ILE  27           HB       ILE  27   2.187   2.084  -3.635
  186   1HG1  ILE  27          1HG1      ILE  27   2.369   3.588  -1.541
  187   2HG1  ILE  27          2HG1      ILE  27   3.837   4.210  -2.269
  188   1HG2  ILE  27          1HG2      ILE  27   4.548   1.080  -2.202
  189   2HG2  ILE  27          2HG2      ILE  27   3.231   1.639  -1.142
  190   3HG2  ILE  27          3HG2      ILE  27   2.916   0.388  -2.369
  191   1HD1  ILE  27          1HD1      ILE  27   2.711   5.254  -4.010
  192   2HD1  ILE  27          2HD1      ILE  27   1.405   4.045  -4.030
  193   3HD1  ILE  27          3HD1      ILE  27   1.433   5.304  -2.772
  194    H    THR  28           H        THR  28   6.611   2.147  -5.122
  195    HA   THR  28           HA       THR  28   6.464  -0.386  -6.192
  196    HB   THR  28           HB       THR  28   8.789   1.111  -4.872
  197    HG1  THR  28           HG1      THR  28   8.042   2.296  -6.645
  198   1HG2  THR  28          1HG2      THR  28   8.617  -1.470  -6.361
  199   2HG2  THR  28          2HG2      THR  28   9.786  -0.307  -7.031
  200   3HG2  THR  28          3HG2      THR  28   9.932  -0.842  -5.339
  201    H    THR  29           H        THR  29   7.173  -2.476  -5.483
  202    HA   THR  29           HA       THR  29   6.035  -3.300  -3.120
  203    HB   THR  29           HB       THR  29   7.200  -5.405  -3.607
  204    HG1  THR  29           HG1      THR  29   9.007  -5.186  -5.213
  205   1HG2  THR  29          1HG2      THR  29   5.734  -4.038  -5.578
  206   2HG2  THR  29          2HG2      THR  29   7.242  -4.480  -6.415
  207   3HG2  THR  29          3HG2      THR  29   6.238  -5.743  -5.663
  208    H    LYS  30           H        LYS  30   9.507  -2.487  -3.738
  209    HA   LYS  30           HA       LYS  30  10.370  -3.083  -1.163
  210   1HB   LYS  30          1HB       LYS  30  12.382  -2.042  -1.774
  211   2HB   LYS  30          2HB       LYS  30  11.740  -2.687  -3.271
  212   1HG   LYS  30          1HG       LYS  30  10.625  -0.314  -3.548
  213   2HG   LYS  30          2HG       LYS  30  11.773   0.199  -2.328
  214   1HD   LYS  30          1HD       LYS  30  12.720  -1.351  -4.762
  215   2HD   LYS  30          2HD       LYS  30  12.441   0.376  -4.869
  216   1HE   LYS  30          1HE       LYS  30  13.975  -0.235  -2.458
  217   2HE   LYS  30          2HE       LYS  30  14.758  -0.940  -3.858
  218   1HZ   LYS  30          1HZ       LYS  30  15.080   1.557  -3.176
  219   2HZ   LYS  30          2HZ       LYS  30  15.151   1.075  -4.734
  220   3HZ   LYS  30          3HZ       LYS  30  13.788   1.761  -4.153
  221    H    GLU  31           H        GLU  31   8.743  -0.225  -2.545
  222    HA   GLU  31           HA       GLU  31   9.286   1.424  -0.339
  223   1HB   GLU  31          1HB       GLU  31   7.178   1.561  -2.534
  224   2HB   GLU  31          2HB       GLU  31   7.393   2.822  -1.337
  225   1HG   GLU  31          1HG       GLU  31   9.749   3.140  -2.056
  226   2HG   GLU  31          2HG       GLU  31   9.595   1.828  -3.207
  227    H    LEU  32           H        LEU  32   6.810  -1.002  -1.120
  228    HA   LEU  32           HA       LEU  32   4.884  -0.210   0.741
  229   1HB   LEU  32          1HB       LEU  32   4.219  -1.679  -0.938
  230   2HB   LEU  32          2HB       LEU  32   5.559  -2.774  -0.660
  231    HG   LEU  32           HG       LEU  32   4.499  -3.313   1.593
  232   1HD1  LEU  32          1HD1      LEU  32   2.240  -2.776   2.020
  233   2HD1  LEU  32          2HD1      LEU  32   3.023  -1.249   1.545
  234   3HD1  LEU  32          3HD1      LEU  32   1.999  -2.125   0.381
  235   1HD2  LEU  32          1HD2      LEU  32   4.335  -4.576  -0.718
  236   2HD2  LEU  32          2HD2      LEU  32   3.382  -5.097   0.692
  237   3HD2  LEU  32          3HD2      LEU  32   2.619  -4.123  -0.587
  238    H    GLY  33           H        GLY  33   7.692  -2.479   0.984
  239   1HA   GLY  33          1HA       GLY  33   7.184  -3.136   3.711
  240   2HA   GLY  33          2HA       GLY  33   8.633  -3.468   2.783
  241    H    THR  34           H        THR  34   8.626  -0.394   2.064
  242    HA   THR  34           HA       THR  34  10.446   0.332   4.124
  243    HB   THR  34           HB       THR  34   9.147   1.883   1.823
  244    HG1  THR  34           HG1      THR  34  10.549   0.464   0.845
  245   1HG2  THR  34          1HG2      THR  34  11.830   2.714   2.497
  246   2HG2  THR  34          2HG2      THR  34  10.346   3.698   2.517
  247   3HG2  THR  34          3HG2      THR  34  10.842   2.806   3.975
  248    H    VAL  35           H        VAL  35   7.098   1.397   3.260
  249    HA   VAL  35           HA       VAL  35   6.956   3.209   5.422
  250    HB   VAL  35           HB       VAL  35   5.634   3.271   3.308
  251   1HG1  VAL  35          1HG1      VAL  35   4.154   0.961   4.607
  252   2HG1  VAL  35          2HG1      VAL  35   3.545   1.902   3.224
  253   3HG1  VAL  35          3HG1      VAL  35   5.037   0.945   3.062
  254   1HG2  VAL  35          1HG2      VAL  35   4.881   3.979   5.932
  255   2HG2  VAL  35          2HG2      VAL  35   4.282   4.667   4.403
  256   3HG2  VAL  35          3HG2      VAL  35   3.420   3.310   5.167
  257    H    MET  36           H        MET  36   5.910  -0.210   4.911
  258    HA   MET  36           HA       MET  36   4.519  -0.533   7.228
  259   1HB   MET  36          1HB       MET  36   6.346  -2.442   5.675
  260   2HB   MET  36          2HB       MET  36   5.305  -2.993   6.972
  261   1HG   MET  36          1HG       MET  36   4.225  -1.431   4.585
  262   2HG   MET  36          2HG       MET  36   4.362  -3.177   4.569
  263   1HE   MET  36          1HE       MET  36   2.033  -4.477   5.083
  264   2HE   MET  36          2HE       MET  36   0.693  -3.310   5.190
  265   3HE   MET  36          3HE       MET  36   1.960  -3.099   3.959
  266    H    ARG  37           H        ARG  37   8.021  -1.387   6.690
  267    HA   ARG  37           HA       ARG  37   8.483  -1.980   9.343
  268   1HB   ARG  37          1HB       ARG  37  10.907  -1.772   8.724
  269   2HB   ARG  37          2HB       ARG  37  10.004  -2.699   7.543
  270   1HG   ARG  37          1HG       ARG  37  11.046  -1.280   6.058
  271   2HG   ARG  37          2HG       ARG  37   9.690  -0.238   6.441
  272   1HD   ARG  37          1HD       ARG  37  11.016   0.956   8.141
  273   2HD   ARG  37          2HD       ARG  37  12.349  -0.165   7.947
  274    HE   ARG  37           HE       ARG  37  12.056   0.760   5.391
  275   1HH1  ARG  37          2HH2      ARG  37  12.243   2.441   8.477
  276   2HH1  ARG  37          1HH2      ARG  37  12.957   3.867   7.802
  277   1HH2  ARG  37          2HH1      ARG  37  12.998   2.642   4.500
  278   2HH2  ARG  37          1HH1      ARG  37  13.390   3.982   5.524
  279    H    SER  38           H        SER  38   8.444   1.080   7.531
  280    HA   SER  38           HA       SER  38   9.970   2.626   9.197
  281   1HB   SER  38          1HB       SER  38   8.026   3.020   7.062
  282   2HB   SER  38          2HB       SER  38   7.814   4.250   8.293
  283    HG   SER  38           HG       SER  38   9.728   4.111   6.388
  284    H    LEU  39           H        LEU  39   6.641   1.406   9.524
  285    HA   LEU  39           HA       LEU  39   5.843   3.189  11.558
  286   1HB   LEU  39          1HB       LEU  39   4.864   0.517  10.584
  287   2HB   LEU  39          2HB       LEU  39   4.141   1.308  11.971
  288    HG   LEU  39           HG       LEU  39   4.348   2.582   9.231
  289   1HD1  LEU  39          1HD1      LEU  39   2.910   0.396   9.553
  290   2HD1  LEU  39          2HD1      LEU  39   1.764   1.530  10.310
  291   3HD1  LEU  39          3HD1      LEU  39   2.288   1.784   8.628
  292   1HD2  LEU  39          1HD2      LEU  39   2.563   4.077  10.142
  293   2HD2  LEU  39          2HD2      LEU  39   2.836   3.343  11.740
  294   3HD2  LEU  39          3HD2      LEU  39   4.146   4.244  10.939
  295    H    GLY  40           H        GLY  40   7.642   0.107  11.479
  296   1HA   GLY  40          1HA       GLY  40   9.082   0.389  13.726
  297   2HA   GLY  40          2HA       GLY  40   7.553  -0.183  14.362
  298    H    GLN  41           H        GLN  41   6.985  -1.705  11.761
  299    HA   GLN  41           HA       GLN  41   8.125  -4.117  12.620
  300   1HB   GLN  41          1HB       GLN  41   6.623  -3.392  10.067
  301   2HB   GLN  41          2HB       GLN  41   7.041  -5.033  10.520
  302   1HG   GLN  41          1HG       GLN  41   5.766  -3.675  12.770
  303   2HG   GLN  41          2HG       GLN  41   4.757  -3.541  11.343
  304   1HE2  GLN  41          1HE2      GLN  41   5.128  -5.275  13.983
  305   2HE2  GLN  41          2HE2      GLN  41   4.658  -6.863  13.474
  306    H    ASN  42           H        ASN  42   8.923  -5.541  10.378
  307    HA   ASN  42           HA       ASN  42  10.747  -4.079   8.819
  308   1HB   ASN  42          1HB       ASN  42  11.771  -4.609  11.320
  309   2HB   ASN  42          2HB       ASN  42  12.230  -6.084  10.493
  310   1HD2  ASN  42          1HD2      ASN  42  12.160  -2.559  10.001
  311   2HD2  ASN  42          2HD2      ASN  42  13.695  -2.414   9.212
  312    HA   PRO  43           HA       PRO  43   9.396  -8.355   7.647
  313   1HB   PRO  43          1HB       PRO  43   7.585  -7.745   5.692
  314   2HB   PRO  43          2HB       PRO  43   7.128  -8.087   7.349
  315   1HG   PRO  43          1HG       PRO  43   7.236  -5.482   5.957
  316   2HG   PRO  43          2HG       PRO  43   6.397  -5.901   7.437
  317   1HD   PRO  43          1HD       PRO  43   8.854  -4.439   7.212
  318   2HD   PRO  43          2HD       PRO  43   8.076  -4.959   8.694
  319    H    THR  44           H        THR  44   9.255  -9.344   5.258
  320    HA   THR  44           HA       THR  44  11.623  -8.168   3.976
  321    HB   THR  44           HB       THR  44  11.549 -10.582   2.895
  322    HG1  THR  44           HG1      THR  44   9.297 -10.774   3.900
  323   1HG2  THR  44          1HG2      THR  44  13.141 -11.136   4.444
  324   2HG2  THR  44          2HG2      THR  44  12.760  -9.600   5.259
  325   3HG2  THR  44          3HG2      THR  44  11.945 -11.100   5.762
  326    H    GLU  45           H        GLU  45  11.706  -7.847   1.711
  327    HA   GLU  45           HA       GLU  45   9.293  -6.861   0.704
  328   1HB   GLU  45          1HB       GLU  45  10.600  -6.398  -1.343
  329   2HB   GLU  45          2HB       GLU  45  11.485  -5.914   0.090
  330   1HG   GLU  45          1HG       GLU  45  12.040  -8.716  -0.599
  331   2HG   GLU  45          2HG       GLU  45  12.388  -7.654  -1.949
  332    H    ALA  46           H        ALA  46  10.731 -10.027   0.753
  333    HA   ALA  46           HA       ALA  46   9.616 -11.010  -1.655
  334   1HB   ALA  46          1HB       ALA  46  10.583 -12.376   0.889
  335   2HB   ALA  46          2HB       ALA  46  10.173 -13.223  -0.622
  336   3HB   ALA  46          3HB       ALA  46  11.531 -12.073  -0.587
  337    H    GLU  47           H        GLU  47   8.680 -11.453   1.835
  338    HA   GLU  47           HA       GLU  47   6.374 -12.813   1.354
  339   1HB   GLU  47          1HB       GLU  47   7.142 -10.893   3.584
  340   2HB   GLU  47          2HB       GLU  47   5.639 -11.793   3.615
  341   1HG   GLU  47          1HG       GLU  47   8.079 -13.413   3.011
  342   2HG   GLU  47          2HG       GLU  47   8.015 -12.734   4.625
  343    H    LEU  48           H        LEU  48   6.943  -9.251   1.464
  344    HA   LEU  48           HA       LEU  48   4.200  -8.612   1.118
  345   1HB   LEU  48          1HB       LEU  48   6.793  -7.115   1.048
  346   2HB   LEU  48          2HB       LEU  48   5.332  -6.348   0.456
  347    HG   LEU  48           HG       LEU  48   5.872  -5.791   2.809
  348   1HD1  LEU  48          1HD1      LEU  48   3.696  -5.332   2.773
  349   2HD1  LEU  48          2HD1      LEU  48   3.328  -6.772   1.794
  350   3HD1  LEU  48          3HD1      LEU  48   3.441  -6.905   3.565
  351   1HD2  LEU  48          1HD2      LEU  48   6.626  -8.334   3.152
  352   2HD2  LEU  48          2HD2      LEU  48   6.101  -7.290   4.495
  353   3HD2  LEU  48          3HD2      LEU  48   4.962  -8.453   3.774
  354    H    GLN  49           H        GLN  49   6.748  -9.729  -0.971
  355    HA   GLN  49           HA       GLN  49   6.031  -8.482  -3.317
  356   1HB   GLN  49          1HB       GLN  49   8.075  -9.981  -2.767
  357   2HB   GLN  49          2HB       GLN  49   7.041 -11.345  -3.145
  358   1HG   GLN  49          1HG       GLN  49   6.627 -10.445  -5.417
  359   2HG   GLN  49          2HG       GLN  49   7.563  -9.010  -5.047
  360   1HE2  GLN  49          1HE2      GLN  49   8.102 -10.700  -7.183
  361   2HE2  GLN  49          2HE2      GLN  49   9.636 -11.473  -6.959
  362    H    ASP  50           H        ASP  50   4.666 -11.325  -1.626
  363    HA   ASP  50           HA       ASP  50   3.100 -12.150  -3.805
  364   1HB   ASP  50          1HB       ASP  50   3.665 -13.691  -1.986
  365   2HB   ASP  50          2HB       ASP  50   2.906 -12.647  -0.801
  366    H    MET  51           H        MET  51   2.820  -9.784  -1.171
  367    HA   MET  51           HA       MET  51   0.019  -9.559  -1.246
  368   1HB   MET  51          1HB       MET  51   2.362  -8.036  -0.091
  369   2HB   MET  51          2HB       MET  51   0.842  -7.170  -0.204
  370   1HG   MET  51          1HG       MET  51   0.812  -9.955   0.973
  371   2HG   MET  51          2HG       MET  51   1.442  -8.647   1.955
  372   1HE   MET  51          1HE       MET  51   0.258  -8.330   3.583
  373   2HE   MET  51          2HE       MET  51  -0.734  -6.871   3.349
  374   3HE   MET  51          3HE       MET  51  -1.508  -8.412   3.790
  375    H    ILE  52           H        ILE  52   2.655  -7.337  -2.428
  376    HA   ILE  52           HA       ILE  52   1.067  -5.511  -3.686
  377    HB   ILE  52           HB       ILE  52   3.023  -5.000  -5.054
  378   1HG1  ILE  52          1HG1      ILE  52   5.084  -6.584  -4.271
  379   2HG1  ILE  52          2HG1      ILE  52   3.791  -7.766  -4.306
  380   1HG2  ILE  52          1HG2      ILE  52   3.270  -3.924  -3.065
  381   2HG2  ILE  52          2HG2      ILE  52   3.200  -5.424  -2.110
  382   3HG2  ILE  52          3HG2      ILE  52   4.692  -4.992  -2.979
  383   1HD1  ILE  52          1HD1      ILE  52   4.306  -5.841  -6.612
  384   2HD1  ILE  52          2HD1      ILE  52   5.056  -7.452  -6.507
  385   3HD1  ILE  52          3HD1      ILE  52   3.286  -7.300  -6.620
  386    H    ASN  53           H        ASN  53   2.238  -8.697  -4.902
  387    HA   ASN  53           HA       ASN  53   1.233  -8.346  -7.468
  388   1HB   ASN  53          1HB       ASN  53   2.843 -10.191  -6.357
  389   2HB   ASN  53          2HB       ASN  53   1.345 -11.082  -6.165
  390   1HD2  ASN  53          1HD2      ASN  53   1.883 -12.664  -7.606
  391   2HD2  ASN  53          2HD2      ASN  53   1.959 -12.433  -9.321
  392    H    GLU  54           H        GLU  54  -0.138  -9.428  -4.352
  393    HA   GLU  54           HA       GLU  54  -2.430 -10.625  -5.451
  394   1HB   GLU  54          1HB       GLU  54  -1.704 -11.265  -3.235
  395   2HB   GLU  54          2HB       GLU  54  -1.744  -9.608  -2.666
  396   1HG   GLU  54          1HG       GLU  54  -3.893  -9.904  -2.018
  397   2HG   GLU  54          2HG       GLU  54  -4.352 -10.126  -3.695
  398    H    VAL  55           H        VAL  55  -1.929  -7.482  -3.680
  399    HA   VAL  55           HA       VAL  55  -4.498  -6.519  -4.109
  400    HB   VAL  55           HB       VAL  55  -3.680  -4.478  -3.320
  401   1HG1  VAL  55          1HG1      VAL  55  -2.544  -5.057  -1.352
  402   2HG1  VAL  55          2HG1      VAL  55  -3.365  -6.563  -1.827
  403   3HG1  VAL  55          3HG1      VAL  55  -1.626  -6.357  -2.149
  404   1HG2  VAL  55          1HG2      VAL  55  -1.327  -3.784  -3.390
  405   2HG2  VAL  55          2HG2      VAL  55  -0.897  -5.298  -4.222
  406   3HG2  VAL  55          3HG2      VAL  55  -1.949  -4.109  -5.026
  407    H    ASP  56           H        ASP  56  -1.468  -6.179  -6.051
  408    HA   ASP  56           HA       ASP  56  -2.259  -4.387  -7.867
  409   1HB   ASP  56          1HB       ASP  56  -0.037  -5.423  -7.886
  410   2HB   ASP  56          2HB       ASP  56  -0.718  -6.986  -8.293
  411    H    ALA  57           H        ALA  57  -4.385  -4.395  -8.707
  412    HA   ALA  57           HA       ALA  57  -5.397  -6.933  -9.757
  413   1HB   ALA  57          1HB       ALA  57  -7.557  -5.499  -9.853
  414   2HB   ALA  57          2HB       ALA  57  -6.948  -5.983  -8.253
  415   3HB   ALA  57          3HB       ALA  57  -6.659  -4.333  -8.853
  416    H    ASP  58           H        ASP  58  -5.250  -3.399 -10.619
  417    HA   ASP  58           HA       ASP  58  -6.085  -3.455 -13.114
  418   1HB   ASP  58          1HB       ASP  58  -4.852  -1.476 -13.481
  419   2HB   ASP  58          2HB       ASP  58  -4.970  -1.545 -11.734
  420    H    GLY  59           H        GLY  59  -3.018  -4.779 -11.843
  421   1HA   GLY  59          1HA       GLY  59  -1.989  -6.615 -12.937
  422   2HA   GLY  59          2HA       GLY  59  -2.471  -5.958 -14.489
  423    H    ASP  60           H        ASP  60   0.123  -6.333 -12.376
  424    HA   ASP  60           HA       ASP  60   1.957  -5.153 -13.896
  425   1HB   ASP  60          1HB       ASP  60   1.416  -2.918 -13.728
  426   2HB   ASP  60          2HB       ASP  60   0.522  -3.140 -12.237
  427    H    GLY  61           H        GLY  61   1.313  -4.324 -10.407
  428   1HA   GLY  61          1HA       GLY  61   2.236  -6.352  -8.984
  429   2HA   GLY  61          2HA       GLY  61   3.746  -5.735  -9.626
  430    H    THR  62           H        THR  62   3.201  -2.931  -9.695
  431    HA   THR  62           HA       THR  62   3.802  -2.225  -7.060
  432    HB   THR  62           HB       THR  62   2.648  -0.401  -9.220
  433    HG1  THR  62           HG1      THR  62   4.791  -0.572 -10.126
  434   1HG2  THR  62          1HG2      THR  62   3.309   1.056  -7.524
  435   2HG2  THR  62          2HG2      THR  62   4.434  -0.126  -6.814
  436   3HG2  THR  62          3HG2      THR  62   4.904   0.790  -8.266
  437    H    ILE  63           H        ILE  63   2.496  -0.401  -5.883
  438    HA   ILE  63           HA       ILE  63  -0.275  -1.368  -5.744
  439    HB   ILE  63           HB       ILE  63   1.443  -0.267  -3.518
  440   1HG1  ILE  63          1HG1      ILE  63   0.877  -3.064  -4.442
  441   2HG1  ILE  63          2HG1      ILE  63   2.382  -2.351  -3.895
  442   1HG2  ILE  63          1HG2      ILE  63  -0.941   0.228  -3.246
  443   2HG2  ILE  63          2HG2      ILE  63  -1.326  -1.498  -3.454
  444   3HG2  ILE  63          3HG2      ILE  63  -0.376  -0.962  -2.048
  445   1HD1  ILE  63          1HD1      ILE  63  -0.036  -2.946  -2.127
  446   2HD1  ILE  63          2HD1      ILE  63   1.470  -3.892  -2.188
  447   3HD1  ILE  63          3HD1      ILE  63   1.492  -2.223  -1.571
  448    H    ASP  64           H        ASP  64  -1.592   0.066  -6.735
  449    HA   ASP  64           HA       ASP  64  -0.779   2.790  -6.912
  450   1HB   ASP  64          1HB       ASP  64  -3.396   1.437  -7.723
  451   2HB   ASP  64          2HB       ASP  64  -2.912   3.055  -8.189
  452    H    PHE  65           H        PHE  65  -3.179   4.233  -6.679
  453    HA   PHE  65           HA       PHE  65  -3.476   4.375  -3.865
  454   1HB   PHE  65          1HB       PHE  65  -3.661   6.124  -5.912
  455   2HB   PHE  65          2HB       PHE  65  -5.335   5.607  -5.950
  456    HD1  PHE  65           HD1      PHE  65  -2.807   6.763  -3.448
  457    HD2  PHE  65           HD2      PHE  65  -6.849   6.847  -4.738
  458    HE1  PHE  65           HE1      PHE  65  -3.354   8.402  -1.628
  459    HE2  PHE  65           HE2      PHE  65  -7.396   8.486  -2.918
  460    HZ   PHE  65           HZ       PHE  65  -5.642   9.244  -1.385
  461    HA   PRO  66           HA       PRO  66  -7.741   2.597  -4.948
  462   1HB   PRO  66          1HB       PRO  66  -8.124   1.407  -7.378
  463   2HB   PRO  66          2HB       PRO  66  -8.576   3.066  -7.042
  464   1HG   PRO  66          1HG       PRO  66  -6.279   2.051  -8.601
  465   2HG   PRO  66          2HG       PRO  66  -6.985   3.655  -8.604
  466   1HD   PRO  66          1HD       PRO  66  -4.553   2.854  -7.311
  467   2HD   PRO  66          2HD       PRO  66  -5.320   4.427  -7.219
  468    H    GLU  67           H        GLU  67  -4.868   1.018  -5.966
  469    HA   GLU  67           HA       GLU  67  -5.880  -1.577  -5.593
  470   1HB   GLU  67          1HB       GLU  67  -3.042  -0.474  -5.691
  471   2HB   GLU  67          2HB       GLU  67  -3.397  -2.186  -5.583
  472   1HG   GLU  67          1HG       GLU  67  -4.779  -1.993  -7.693
  473   2HG   GLU  67          2HG       GLU  67  -4.309  -0.309  -7.815
  474    H    PHE  68           H        PHE  68  -3.707   0.553  -3.600
  475    HA   PHE  68           HA       PHE  68  -3.531  -1.203  -1.447
  476   1HB   PHE  68          1HB       PHE  68  -2.366   1.127  -2.216
  477   2HB   PHE  68          2HB       PHE  68  -3.585   1.831  -1.173
  478    HD1  PHE  68           HD1      PHE  68  -2.320   2.651   0.613
  479    HD2  PHE  68           HD2      PHE  68  -1.734  -1.353  -0.667
  480    HE1  PHE  68           HE1      PHE  68  -0.857   2.227   2.608
  481    HE2  PHE  68           HE2      PHE  68  -0.271  -1.776   1.328
  482    HZ   PHE  68           HZ       PHE  68   0.150   0.019   2.941
  483    H    LEU  69           H        LEU  69  -5.851   1.452  -2.211
  484    HA   LEU  69           HA       LEU  69  -7.128   1.718   0.161
  485   1HB   LEU  69          1HB       LEU  69  -7.495   2.596  -2.383
  486   2HB   LEU  69          2HB       LEU  69  -8.891   1.552  -2.199
  487    HG   LEU  69           HG       LEU  69  -8.166   3.856  -0.367
  488   1HD1  LEU  69          1HD1      LEU  69  -9.153   4.081  -2.887
  489   2HD1  LEU  69          2HD1      LEU  69 -10.658   3.954  -1.946
  490   3HD1  LEU  69          3HD1      LEU  69  -9.477   5.231  -1.567
  491   1HD2  LEU  69          1HD2      LEU  69  -9.780   3.242   1.055
  492   2HD2  LEU  69          2HD2      LEU  69 -10.893   2.777  -0.254
  493   3HD2  LEU  69          3HD2      LEU  69  -9.641   1.638   0.295
  494    H    THR  70           H        THR  70  -7.819  -0.778  -2.381
  495    HA   THR  70           HA       THR  70  -9.811  -2.075  -0.872
  496    HB   THR  70           HB       THR  70  -8.001  -2.908  -3.194
  497    HG1  THR  70           HG1      THR  70  -9.787  -2.087  -4.313
  498   1HG2  THR  70          1HG2      THR  70  -8.781  -5.032  -2.560
  499   2HG2  THR  70          2HG2      THR  70 -10.207  -4.367  -1.728
  500   3HG2  THR  70          3HG2      THR  70 -10.177  -4.461  -3.506
  501    H    MET  71           H        MET  71  -6.287  -2.785  -1.303
  502    HA   MET  71           HA       MET  71  -6.105  -5.056   0.076
  503   1HB   MET  71          1HB       MET  71  -4.153  -3.978  -0.937
  504   2HB   MET  71          2HB       MET  71  -4.306  -2.579   0.108
  505   1HG   MET  71          1HG       MET  71  -4.020  -5.177   1.549
  506   2HG   MET  71          2HG       MET  71  -2.623  -4.713   0.599
  507   1HE   MET  71          1HE       MET  71  -1.367  -3.554   3.988
  508   2HE   MET  71          2HE       MET  71  -1.747  -5.017   3.047
  509   3HE   MET  71          3HE       MET  71  -0.742  -3.734   2.331
  510    H    MET  72           H        MET  72  -5.754  -1.772   1.618
  511    HA   MET  72           HA       MET  72  -5.637  -2.700   4.193
  512   1HB   MET  72          1HB       MET  72  -6.034  -0.162   2.766
  513   2HB   MET  72          2HB       MET  72  -7.005  -0.184   4.225
  514   1HG   MET  72          1HG       MET  72  -4.031  -0.884   4.182
  515   2HG   MET  72          2HG       MET  72  -4.635   0.725   4.521
  516   1HE   MET  72          1HE       MET  72  -6.632   0.890   7.097
  517   2HE   MET  72          2HE       MET  72  -5.070   0.898   7.951
  518   3HE   MET  72          3HE       MET  72  -5.192   1.583   6.313
  519    H    ALA  73           H        ALA  73  -8.533  -1.307   2.476
  520    HA   ALA  73           HA       ALA  73 -10.406  -1.611   4.383
  521   1HB   ALA  73          1HB       ALA  73 -11.972  -2.085   2.392
  522   2HB   ALA  73          2HB       ALA  73 -10.991  -0.601   2.316
  523   3HB   ALA  73          3HB       ALA  73 -10.507  -2.037   1.382
  524    H    ARG  74           H        ARG  74  -9.525  -4.169   1.948
  525    HA   ARG  74           HA       ARG  74 -11.129  -6.093   3.081
  526   1HB   ARG  74          1HB       ARG  74  -8.511  -6.462   1.537
  527   2HB   ARG  74          2HB       ARG  74  -9.716  -7.711   1.781
  528   1HG   ARG  74          1HG       ARG  74 -11.262  -5.649   0.749
  529   2HG   ARG  74          2HG       ARG  74  -9.743  -5.397  -0.088
  530   1HD   ARG  74          1HD       ARG  74 -10.588  -6.971  -1.540
  531   2HD   ARG  74          2HD       ARG  74  -9.944  -8.105  -0.370
  532    HE   ARG  74           HE       ARG  74 -12.455  -7.567   0.640
  533   1HH1  ARG  74          2HH2      ARG  74 -11.297  -8.580  -2.525
  534   2HH1  ARG  74          1HH2      ARG  74 -12.746  -9.443  -2.920
  535   1HH2  ARG  74          2HH1      ARG  74 -14.367  -8.706   0.119
  536   2HH2  ARG  74          1HH1      ARG  74 -14.504  -9.515  -1.407
  537    H    LYS  75           H        LYS  75  -7.702  -5.156   3.680
  538    HA   LYS  75           HA       LYS  75  -6.752  -7.202   5.132
  539   1HB   LYS  75          1HB       LYS  75  -5.810  -4.809   4.552
  540   2HB   LYS  75          2HB       LYS  75  -6.355  -4.413   6.169
  541   1HG   LYS  75          1HG       LYS  75  -4.081  -5.148   6.410
  542   2HG   LYS  75          2HG       LYS  75  -5.071  -6.464   7.009
  543   1HD   LYS  75          1HD       LYS  75  -4.427  -6.543   4.083
  544   2HD   LYS  75          2HD       LYS  75  -3.074  -6.793   5.168
  545   1HE   LYS  75          1HE       LYS  75  -5.386  -8.324   6.092
  546   2HE   LYS  75          2HE       LYS  75  -5.055  -8.697   4.412
  547   1HZ   LYS  75          1HZ       LYS  75  -3.015  -8.724   6.527
  548   2HZ   LYS  75          2HZ       LYS  75  -3.795 -10.052   5.983
  549   3HZ   LYS  75          3HZ       LYS  75  -2.817  -9.212   4.981
  550    H    MET  76           H        MET  76  -8.829  -4.525   6.435
  551    HA   MET  76           HA       MET  76  -8.945  -5.516   8.998
  552   1HB   MET  76          1HB       MET  76 -10.792  -3.797   7.282
  553   2HB   MET  76          2HB       MET  76 -11.244  -4.187   8.929
  554   1HG   MET  76          1HG       MET  76  -8.491  -3.336   8.979
  555   2HG   MET  76          2HG       MET  76  -9.376  -2.176   8.008
  556   1HE   MET  76          1HE       MET  76  -9.330  -2.626  12.446
  557   2HE   MET  76          2HE       MET  76  -9.710  -4.144  11.597
  558   3HE   MET  76          3HE       MET  76  -8.232  -3.240  11.187
  559    H    LYS  77           H        LYS  77 -11.014  -6.184   6.119
  560    HA   LYS  77           HA       LYS  77 -12.963  -7.663   7.455
  561   1HB   LYS  77          1HB       LYS  77 -12.475  -6.797   4.857
  562   2HB   LYS  77          2HB       LYS  77 -12.409  -8.542   4.720
  563   1HG   LYS  77          1HG       LYS  77 -14.653  -8.758   5.050
  564   2HG   LYS  77          2HG       LYS  77 -14.628  -7.706   6.452
  565   1HD   LYS  77          1HD       LYS  77 -14.172  -6.143   4.027
  566   2HD   LYS  77          2HD       LYS  77 -15.630  -7.100   3.856
  567   1HE   LYS  77          1HE       LYS  77 -15.995  -6.180   6.407
  568   2HE   LYS  77          2HE       LYS  77 -15.038  -4.862   5.760
  569   1HZ   LYS  77          1HZ       LYS  77 -16.605  -4.615   3.998
  570   2HZ   LYS  77          2HZ       LYS  77 -17.459  -5.922   4.476
  571   3HZ   LYS  77          3HZ       LYS  77 -17.417  -4.586   5.414
  572    H    ASP  78           H        ASP  78 -10.095  -8.835   5.546
  573    HA   ASP  78           HA       ASP  78 -10.383 -11.461   6.082
  574   1HB   ASP  78          1HB       ASP  78  -8.346  -9.720   5.082
  575   2HB   ASP  78          2HB       ASP  78  -7.569 -10.723   6.291
  576    H    THR  79           H        THR  79  -8.208  -9.123   7.861
  577    HA   THR  79           HA       THR  79  -7.592 -10.882   9.953
  578    HB   THR  79           HB       THR  79  -6.461  -8.666   9.128
  579    HG1  THR  79           HG1      THR  79  -5.457  -9.008  11.077
  580   1HG2  THR  79          1HG2      THR  79  -8.102  -7.446  11.367
  581   2HG2  THR  79          2HG2      THR  79  -7.159  -6.628  10.098
  582   3HG2  THR  79          3HG2      THR  79  -8.727  -7.373   9.701
  Start of MODEL   20
    1   1H    ALA   1          1H        ALA   1 -21.090   6.813  -0.761
    2    HA   ALA   1           HA       ALA   1 -18.940   7.083  -2.033
    3   1HB   ALA   1          1HB       ALA   1 -17.415   8.409  -1.054
    4   2HB   ALA   1          2HB       ALA   1 -18.431   8.546   0.402
    5   3HB   ALA   1          3HB       ALA   1 -17.256   7.217   0.259
    6    H    ASP   2           H        ASP   2 -19.667   5.845   1.288
    7    HA   ASP   2           HA       ASP   2 -20.040   3.297   0.644
    8   1HB   ASP   2          1HB       ASP   2 -17.298   3.888   0.162
    9   2HB   ASP   2          2HB       ASP   2 -17.313   2.982   1.662
   10    H    GLN   3           H        GLN   3 -18.798   5.805   2.736
   11    HA   GLN   3           HA       GLN   3 -19.175   6.195   4.858
   12   1HB   GLN   3          1HB       GLN   3 -20.335   3.382   5.078
   13   2HB   GLN   3          2HB       GLN   3 -20.439   4.622   6.312
   14   1HG   GLN   3          1HG       GLN   3 -21.423   5.996   4.133
   15   2HG   GLN   3          2HG       GLN   3 -21.944   4.368   3.747
   16   1HE2  GLN   3          1HE2      GLN   3 -23.972   5.806   4.068
   17   2HE2  GLN   3          2HE2      GLN   3 -24.733   5.708   5.621
   18    H    LEU   4           H        LEU   4 -16.668   5.448   3.921
   19    HA   LEU   4           HA       LEU   4 -15.291   4.866   6.212
   20   1HB   LEU   4          1HB       LEU   4 -15.994   2.702   6.442
   21   2HB   LEU   4          2HB       LEU   4 -16.138   2.433   4.717
   22    HG   LEU   4           HG       LEU   4 -14.333   1.112   5.748
   23   1HD1  LEU   4          1HD1      LEU   4 -14.292   2.403   3.348
   24   2HD1  LEU   4          2HD1      LEU   4 -12.744   2.927   4.055
   25   3HD1  LEU   4          3HD1      LEU   4 -13.098   1.192   3.876
   26   1HD2  LEU   4          1HD2      LEU   4 -13.275   2.133   7.448
   27   2HD2  LEU   4          2HD2      LEU   4 -12.201   2.739   6.165
   28   3HD2  LEU   4          3HD2      LEU   4 -13.525   3.761   6.774
   29    H    THR   5           H        THR   5 -15.567   4.595   2.663
   30    HA   THR   5           HA       THR   5 -12.759   4.724   2.203
   31    HB   THR   5           HB       THR   5 -14.363   3.706   0.604
   32    HG1  THR   5           HG1      THR   5 -12.385   4.891  -0.112
   33   1HG2  THR   5          1HG2      THR   5 -15.910   5.101  -0.684
   34   2HG2  THR   5          2HG2      THR   5 -16.280   5.341   1.040
   35   3HG2  THR   5          3HG2      THR   5 -15.348   6.569   0.151
   36    H    GLU   6           H        GLU   6 -15.400   7.126   2.495
   37    HA   GLU   6           HA       GLU   6 -14.006   9.267   1.483
   38   1HB   GLU   6          1HB       GLU   6 -16.495   9.069   2.155
   39   2HB   GLU   6          2HB       GLU   6 -15.982   9.438   3.790
   40   1HG   GLU   6          1HG       GLU   6 -15.261  11.624   3.219
   41   2HG   GLU   6          2HG       GLU   6 -15.089  11.233   1.519
   42    H    GLU   7           H        GLU   7 -14.290   8.089   4.906
   43    HA   GLU   7           HA       GLU   7 -12.601  10.073   5.914
   44   1HB   GLU   7          1HB       GLU   7 -12.535   8.603   7.953
   45   2HB   GLU   7          2HB       GLU   7 -14.159   8.930   7.380
   46   1HG   GLU   7          1HG       GLU   7 -14.453   6.747   6.529
   47   2HG   GLU   7          2HG       GLU   7 -12.731   6.465   6.362
   48    H    GLN   8           H        GLN   8 -12.072   6.842   4.501
   49    HA   GLN   8           HA       GLN   8  -9.435   6.592   5.430
   50   1HB   GLN   8          1HB       GLN   8 -11.113   5.222   3.321
   51   2HB   GLN   8          2HB       GLN   8  -9.392   4.899   3.387
   52   1HG   GLN   8          1HG       GLN   8 -11.177   4.684   5.848
   53   2HG   GLN   8          2HG       GLN   8 -10.923   3.333   4.761
   54   1HE2  GLN   8          1HE2      GLN   8  -9.202   2.093   4.993
   55   2HE2  GLN   8          2HE2      GLN   8  -7.839   2.400   6.018
   56    H    ILE   9           H        ILE   9 -10.793   7.363   2.139
   57    HA   ILE   9           HA       ILE   9  -8.382   7.931   0.931
   58    HB   ILE   9           HB       ILE   9  -9.657   9.004  -0.765
   59   1HG1  ILE   9          1HG1      ILE   9 -12.315   9.040   0.242
   60   2HG1  ILE   9          2HG1      ILE   9 -11.315   9.864   1.422
   61   1HG2  ILE   9          1HG2      ILE   9 -10.420   7.019  -1.384
   62   2HG2  ILE   9          2HG2      ILE   9 -10.287   6.447   0.296
   63   3HG2  ILE   9          3HG2      ILE   9 -11.804   7.181  -0.277
   64   1HD1  ILE   9          1HD1      ILE   9 -10.721  11.564  -0.044
   65   2HD1  ILE   9          2HD1      ILE   9 -10.830  10.511  -1.475
   66   3HD1  ILE   9          3HD1      ILE   9 -12.313  11.142  -0.719
   67    H    ALA  10           H        ALA  10 -10.075   9.642   3.437
   68    HA   ALA  10           HA       ALA  10  -9.139  12.239   2.849
   69   1HB   ALA  10          1HB       ALA  10 -10.246  12.809   4.779
   70   2HB   ALA  10          2HB       ALA  10 -10.997  11.218   4.510
   71   3HB   ALA  10          3HB       ALA  10  -9.656  11.384   5.669
   72    H    GLU  11           H        GLU  11  -8.067   9.811   5.343
   73    HA   GLU  11           HA       GLU  11  -5.733  11.281   5.876
   74   1HB   GLU  11          1HB       GLU  11  -6.892   8.643   6.700
   75   2HB   GLU  11          2HB       GLU  11  -5.161   8.831   6.903
   76   1HG   GLU  11          1HG       GLU  11  -5.509  10.897   8.231
   77   2HG   GLU  11          2HG       GLU  11  -7.239  10.803   7.967
   78    H    PHE  12           H        PHE  12  -6.490   8.346   3.911
   79    HA   PHE  12           HA       PHE  12  -3.938   7.591   3.264
   80   1HB   PHE  12          1HB       PHE  12  -6.666   7.603   1.895
   81   2HB   PHE  12          2HB       PHE  12  -5.289   6.989   1.003
   82    HD1  PHE  12           HD1      PHE  12  -6.019   6.605   4.630
   83    HD2  PHE  12           HD2      PHE  12  -5.729   4.704   0.847
   84    HE1  PHE  12           HE1      PHE  12  -6.301   4.368   5.732
   85    HE2  PHE  12           HE2      PHE  12  -6.011   2.467   1.950
   86    HZ   PHE  12           HZ       PHE  12  -6.294   2.326   4.379
   87    H    LYS  13           H        LYS  13  -5.708  10.464   2.296
   88    HA   LYS  13           HA       LYS  13  -4.422  10.947  -0.145
   89   1HB   LYS  13          1HB       LYS  13  -6.477  12.082   1.264
   90   2HB   LYS  13          2HB       LYS  13  -5.223  13.290   1.466
   91   1HG   LYS  13          1HG       LYS  13  -5.670  14.034  -0.627
   92   2HG   LYS  13          2HG       LYS  13  -5.047  12.522  -1.258
   93   1HD   LYS  13          1HD       LYS  13  -7.234  11.504  -1.277
   94   2HD   LYS  13          2HD       LYS  13  -7.917  12.766  -0.271
   95   1HE   LYS  13          1HE       LYS  13  -6.772  13.316  -3.046
   96   2HE   LYS  13          2HE       LYS  13  -8.456  12.911  -2.783
   97   1HZ   LYS  13          1HZ       LYS  13  -7.096  15.153  -1.460
   98   2HZ   LYS  13          2HZ       LYS  13  -8.001  15.300  -2.811
   99   3HZ   LYS  13          3HZ       LYS  13  -8.694  14.818  -1.413
  100    H    GLU  14           H        GLU  14  -3.788  12.379   3.140
  101    HA   GLU  14           HA       GLU  14  -1.358  13.482   2.256
  102   1HB   GLU  14          1HB       GLU  14  -3.024  13.966   4.359
  103   2HB   GLU  14          2HB       GLU  14  -1.796  13.024   5.181
  104   1HG   GLU  14          1HG       GLU  14  -0.044  14.573   4.111
  105   2HG   GLU  14          2HG       GLU  14  -1.372  15.581   3.572
  106    H    ALA  15           H        ALA  15  -2.335  10.453   3.889
  107    HA   ALA  15           HA       ALA  15   0.179   9.648   4.771
  108   1HB   ALA  15          1HB       ALA  15  -1.320   8.204   5.649
  109   2HB   ALA  15          2HB       ALA  15  -2.498   8.509   4.350
  110   3HB   ALA  15          3HB       ALA  15  -1.193   7.322   4.109
  111    H    PHE  16           H        PHE  16  -1.485   9.338   1.594
  112    HA   PHE  16           HA       PHE  16  -0.005   7.556   0.284
  113   1HB   PHE  16          1HB       PHE  16  -1.849   9.084  -0.590
  114   2HB   PHE  16          2HB       PHE  16  -0.712  10.417  -0.609
  115    HD1  PHE  16           HD1      PHE  16  -0.775   6.898  -1.885
  116    HD2  PHE  16           HD2      PHE  16   0.060  10.979  -2.695
  117    HE1  PHE  16           HE1      PHE  16  -0.108   6.296  -4.229
  118    HE2  PHE  16           HE2      PHE  16   0.726  10.377  -5.039
  119    HZ   PHE  16           HZ       PHE  16   0.634   8.043  -5.778
  120    H    SER  17           H        SER  17   0.963  11.023   0.778
  121    HA   SER  17           HA       SER  17   3.214  11.118  -0.618
  122   1HB   SER  17          1HB       SER  17   2.067  12.738   1.216
  123   2HB   SER  17          2HB       SER  17   3.403  12.162   2.193
  124    HG   SER  17           HG       SER  17   4.478  13.737   1.197
  125    H    LEU  18           H        LEU  18   2.800   9.614   2.642
  126    HA   LEU  18           HA       LEU  18   5.542   8.941   2.902
  127   1HB   LEU  18          1HB       LEU  18   3.055   7.979   4.319
  128   2HB   LEU  18          2HB       LEU  18   4.682   7.505   4.764
  129    HG   LEU  18           HG       LEU  18   3.748  10.385   4.712
  130   1HD1  LEU  18          1HD1      LEU  18   2.493   9.887   6.488
  131   2HD1  LEU  18          2HD1      LEU  18   3.221   8.272   6.664
  132   3HD1  LEU  18          3HD1      LEU  18   4.028   9.694   7.368
  133   1HD2  LEU  18          1HD2      LEU  18   5.829  10.042   6.550
  134   2HD2  LEU  18          2HD2      LEU  18   6.311   9.100   5.119
  135   3HD2  LEU  18          3HD2      LEU  18   5.911  10.826   4.954
  136    H    PHE  19           H        PHE  19   2.574   6.957   2.206
  137    HA   PHE  19           HA       PHE  19   3.751   4.568   1.774
  138   1HB   PHE  19          1HB       PHE  19   1.562   6.004   0.153
  139   2HB   PHE  19          2HB       PHE  19   1.800   4.268   0.135
  140    HD1  PHE  19           HD1      PHE  19  -0.720   5.817   0.927
  141    HD2  PHE  19           HD2      PHE  19   2.469   4.194   3.208
  142    HE1  PHE  19           HE1      PHE  19  -2.250   5.585   2.903
  143    HE2  PHE  19           HE2      PHE  19   0.939   3.962   5.184
  144    HZ   PHE  19           HZ       PHE  19  -1.403   4.661   5.008
  145    H    ASP  20           H        ASP  20   3.619   7.373  -0.478
  146    HA   ASP  20           HA       ASP  20   4.963   5.806  -2.482
  147   1HB   ASP  20          1HB       ASP  20   3.096   7.714  -2.740
  148   2HB   ASP  20          2HB       ASP  20   4.484   8.784  -2.697
  149    H    LYS  21           H        LYS  21   7.141   5.523  -1.796
  150    HA   LYS  21           HA       LYS  21   8.563   7.591  -0.473
  151   1HB   LYS  21          1HB       LYS  21   9.671   5.102  -1.798
  152   2HB   LYS  21          2HB       LYS  21  10.428   6.066  -0.546
  153   1HG   LYS  21          1HG       LYS  21   7.768   4.602  -0.206
  154   2HG   LYS  21          2HG       LYS  21   9.314   3.962   0.315
  155   1HD   LYS  21          1HD       LYS  21   9.627   5.796   1.897
  156   2HD   LYS  21          2HD       LYS  21   8.241   6.658   1.259
  157   1HE   LYS  21          1HE       LYS  21   6.730   4.829   2.022
  158   2HE   LYS  21          2HE       LYS  21   8.107   3.924   2.620
  159   1HZ   LYS  21          1HZ       LYS  21   7.914   5.060   4.477
  160   2HZ   LYS  21          2HZ       LYS  21   8.285   6.447   3.699
  161   3HZ   LYS  21          3HZ       LYS  21   6.724   5.999   3.870
  162    H    ASP  22           H        ASP  22   8.928   6.081  -3.764
  163    HA   ASP  22           HA       ASP  22  10.826   7.665  -4.746
  164   1HB   ASP  22          1HB       ASP  22   8.424   6.310  -5.907
  165   2HB   ASP  22          2HB       ASP  22   9.167   7.520  -6.933
  166    H    GLY  23           H        GLY  23   7.235   8.279  -5.003
  167   1HA   GLY  23          1HA       GLY  23   6.239  10.353  -4.556
  168   2HA   GLY  23          2HA       GLY  23   7.758  11.166  -4.873
  169    H    ASP  24           H        ASP  24   6.358   8.568  -6.925
  170    HA   ASP  24           HA       ASP  24   6.143  10.576  -9.022
  171   1HB   ASP  24          1HB       ASP  24   6.107   8.370 -10.480
  172   2HB   ASP  24          2HB       ASP  24   7.629   8.980  -9.862
  173    H    GLY  25           H        GLY  25   4.636   7.702  -7.430
  174   1HA   GLY  25          1HA       GLY  25   2.146   8.204  -7.121
  175   2HA   GLY  25          2HA       GLY  25   2.118   8.218  -8.873
  176    H    THR  26           H        THR  26   4.098   6.110  -6.702
  177    HA   THR  26           HA       THR  26   2.388   3.854  -7.036
  178    HB   THR  26           HB       THR  26   4.375   2.646  -8.345
  179    HG1  THR  26           HG1      THR  26   5.557   4.814  -8.111
  180   1HG2  THR  26          1HG2      THR  26   2.973   4.645 -10.109
  181   2HG2  THR  26          2HG2      THR  26   3.172   2.890 -10.332
  182   3HG2  THR  26          3HG2      THR  26   1.946   3.510  -9.200
  183    H    ILE  27           H        ILE  27   2.776   2.323  -5.495
  184    HA   ILE  27           HA       ILE  27   4.986   2.972  -3.700
  185    HB   ILE  27           HB       ILE  27   2.412   1.446  -3.361
  186   1HG1  ILE  27          1HG1      ILE  27   2.114   3.195  -1.544
  187   2HG1  ILE  27          2HG1      ILE  27   3.508   4.022  -2.211
  188   1HG2  ILE  27          1HG2      ILE  27   4.866   0.925  -2.033
  189   2HG2  ILE  27          2HG2      ILE  27   3.799   1.762  -0.881
  190   3HG2  ILE  27          3HG2      ILE  27   3.249   0.270  -1.680
  191   1HD1  ILE  27          1HD1      ILE  27   1.555   3.256  -4.289
  192   2HD1  ILE  27          2HD1      ILE  27   0.875   4.348  -3.058
  193   3HD1  ILE  27          3HD1      ILE  27   2.321   4.833  -3.977
  194    H    THR  28           H        THR  28   6.708   2.069  -4.947
  195    HA   THR  28           HA       THR  28   6.752  -0.385  -6.154
  196    HB   THR  28           HB       THR  28   8.882   1.230  -4.671
  197    HG1  THR  28           HG1      THR  28   9.143   1.991  -6.815
  198   1HG2  THR  28          1HG2      THR  28   9.741  -1.084  -4.888
  199   2HG2  THR  28          2HG2      THR  28   9.182  -1.151  -6.577
  200   3HG2  THR  28          3HG2      THR  28  10.506  -0.052  -6.121
  201    H    THR  29           H        THR  29   7.161  -2.512  -5.604
  202    HA   THR  29           HA       THR  29   6.087  -3.523  -3.341
  203    HB   THR  29           HB       THR  29   7.376  -5.565  -3.920
  204    HG1  THR  29           HG1      THR  29   8.804  -3.640  -5.616
  205   1HG2  THR  29          1HG2      THR  29   5.642  -4.455  -5.649
  206   2HG2  THR  29          2HG2      THR  29   7.121  -4.185  -6.601
  207   3HG2  THR  29          3HG2      THR  29   6.648  -5.838  -6.141
  208    H    LYS  30           H        LYS  30   9.584  -2.680  -3.772
  209    HA   LYS  30           HA       LYS  30  10.262  -3.399  -1.143
  210   1HB   LYS  30          1HB       LYS  30  12.383  -2.554  -1.643
  211   2HB   LYS  30          2HB       LYS  30  11.774  -3.118  -3.186
  212   1HG   LYS  30          1HG       LYS  30  10.849  -0.570  -3.303
  213   2HG   LYS  30          2HG       LYS  30  12.204  -0.300  -2.225
  214   1HD   LYS  30          1HD       LYS  30  12.779  -1.996  -4.625
  215   2HD   LYS  30          2HD       LYS  30  12.415  -0.315  -4.957
  216   1HE   LYS  30          1HE       LYS  30  14.400  -1.006  -2.771
  217   2HE   LYS  30          2HE       LYS  30  14.912  -1.051  -4.446
  218   1HZ   LYS  30          1HZ       LYS  30  14.934   1.142  -4.511
  219   2HZ   LYS  30          2HZ       LYS  30  13.442   1.292  -3.864
  220   3HZ   LYS  30          3HZ       LYS  30  14.745   1.153  -2.889
  221    H    GLU  31           H        GLU  31   9.011  -0.409  -2.656
  222    HA   GLU  31           HA       GLU  31   9.545   1.239  -0.476
  223   1HB   GLU  31          1HB       GLU  31   7.667   1.370  -2.844
  224   2HB   GLU  31          2HB       GLU  31   7.541   2.577  -1.580
  225   1HG   GLU  31          1HG       GLU  31   9.993   3.087  -1.853
  226   2HG   GLU  31          2HG       GLU  31  10.076   1.917  -3.155
  227    H    LEU  32           H        LEU  32   7.030  -1.147  -1.152
  228    HA   LEU  32           HA       LEU  32   5.106  -0.166   0.653
  229   1HB   LEU  32          1HB       LEU  32   4.418  -1.631  -1.055
  230   2HB   LEU  32          2HB       LEU  32   5.624  -2.832  -0.638
  231    HG   LEU  32           HG       LEU  32   3.238  -3.379  -0.022
  232   1HD1  LEU  32          1HD1      LEU  32   4.302  -4.867   1.232
  233   2HD1  LEU  32          2HD1      LEU  32   5.668  -3.752   1.477
  234   3HD1  LEU  32          3HD1      LEU  32   4.271  -3.703   2.579
  235   1HD2  LEU  32          1HD2      LEU  32   2.001  -2.122   1.347
  236   2HD2  LEU  32          2HD2      LEU  32   3.346  -1.872   2.485
  237   3HD2  LEU  32          3HD2      LEU  32   3.197  -0.839   1.043
  238    H    GLY  33           H        GLY  33   7.938  -2.353   0.952
  239   1HA   GLY  33          1HA       GLY  33   7.376  -3.206   3.596
  240   2HA   GLY  33          2HA       GLY  33   8.909  -3.297   2.752
  241    H    THR  34           H        THR  34   8.760  -0.261   2.190
  242    HA   THR  34           HA       THR  34  10.289   0.542   4.413
  243    HB   THR  34           HB       THR  34   8.910   2.147   2.195
  244    HG1  THR  34           HG1      THR  34  10.370   0.666   1.272
  245   1HG2  THR  34          1HG2      THR  34  10.340   3.100   4.439
  246   2HG2  THR  34          2HG2      THR  34  11.561   3.006   3.147
  247   3HG2  THR  34          3HG2      THR  34  10.088   3.977   2.911
  248    H    VAL  35           H        VAL  35   6.896   1.336   3.425
  249    HA   VAL  35           HA       VAL  35   6.349   3.031   5.530
  250    HB   VAL  35           HB       VAL  35   4.608   1.134   3.953
  251   1HG1  VAL  35          1HG1      VAL  35   3.666   1.815   6.231
  252   2HG1  VAL  35          2HG1      VAL  35   3.601   3.473   5.586
  253   3HG1  VAL  35          3HG1      VAL  35   2.665   2.176   4.805
  254   1HG2  VAL  35          1HG2      VAL  35   4.365   2.783   2.410
  255   2HG2  VAL  35          2HG2      VAL  35   4.458   4.084   3.621
  256   3HG2  VAL  35          3HG2      VAL  35   5.947   3.296   3.045
  257    H    MET  36           H        MET  36   5.936  -0.564   5.292
  258    HA   MET  36           HA       MET  36   4.733  -1.146   7.557
  259   1HB   MET  36          1HB       MET  36   7.278  -2.418   6.414
  260   2HB   MET  36          2HB       MET  36   6.307  -3.191   7.651
  261   1HG   MET  36          1HG       MET  36   5.126  -2.286   4.987
  262   2HG   MET  36          2HG       MET  36   5.819  -3.880   5.209
  263   1HE   MET  36          1HE       MET  36   1.734  -2.478   6.205
  264   2HE   MET  36          2HE       MET  36   3.084  -1.579   5.471
  265   3HE   MET  36          3HE       MET  36   2.409  -3.003   4.644
  266    H    ARG  37           H        ARG  37   8.321  -0.578   7.346
  267    HA   ARG  37           HA       ARG  37   8.906  -0.930   9.951
  268   1HB   ARG  37          1HB       ARG  37  10.063   1.150   8.027
  269   2HB   ARG  37          2HB       ARG  37  10.825   0.682   9.534
  270   1HG   ARG  37          1HG       ARG  37  10.652  -1.774   8.602
  271   2HG   ARG  37          2HG       ARG  37  10.382  -1.008   7.049
  272   1HD   ARG  37          1HD       ARG  37  12.647   0.246   8.421
  273   2HD   ARG  37          2HD       ARG  37  12.885  -1.487   8.308
  274    HE   ARG  37           HE       ARG  37  12.062  -0.897   5.768
  275   1HH1  ARG  37          2HH2      ARG  37  14.481   0.593   7.845
  276   2HH1  ARG  37          1HH2      ARG  37  15.476   1.115   6.526
  277   1HH2  ARG  37          2HH1      ARG  37  13.374  -0.208   4.029
  278   2HH2  ARG  37          1HH1      ARG  37  14.842   0.656   4.341
  279    H    SER  38           H        SER  38   7.748   2.081   8.302
  280    HA   SER  38           HA       SER  38   8.004   3.863  10.288
  281   1HB   SER  38          1HB       SER  38   6.642   3.722   7.844
  282   2HB   SER  38          2HB       SER  38   5.364   4.070   8.992
  283    HG   SER  38           HG       SER  38   6.995   5.789   9.813
  284    H    LEU  39           H        LEU  39   5.878   1.062  10.160
  285    HA   LEU  39           HA       LEU  39   4.206   2.053  12.308
  286   1HB   LEU  39          1HB       LEU  39   4.222  -0.530  10.743
  287   2HB   LEU  39          2HB       LEU  39   3.092  -0.164  12.032
  288    HG   LEU  39           HG       LEU  39   3.364   1.312   9.400
  289   1HD1  LEU  39          1HD1      LEU  39   2.288  -0.795   9.066
  290   2HD1  LEU  39          2HD1      LEU  39   1.246  -0.556  10.489
  291   3HD1  LEU  39          3HD1      LEU  39   1.032   0.467   9.048
  292   1HD2  LEU  39          1HD2      LEU  39   1.231   2.465  10.221
  293   2HD2  LEU  39          2HD2      LEU  39   1.705   1.913  11.846
  294   3HD2  LEU  39          3HD2      LEU  39   2.779   2.992  10.924
  295    H    GLY  40           H        GLY  40   6.670  -0.521  11.684
  296   1HA   GLY  40          1HA       GLY  40   8.255  -0.545  13.690
  297   2HA   GLY  40          2HA       GLY  40   6.816  -0.974  14.593
  298    H    GLN  41           H        GLN  41   7.816  -1.955  11.249
  299    HA   GLN  41           HA       GLN  41   8.351  -4.605  12.223
  300   1HB   GLN  41          1HB       GLN  41   6.786  -5.479  10.285
  301   2HB   GLN  41          2HB       GLN  41   6.100  -5.076  11.846
  302   1HG   GLN  41          1HG       GLN  41   6.217  -2.664  10.241
  303   2HG   GLN  41          2HG       GLN  41   5.466  -3.931   9.290
  304   1HE2  GLN  41          1HE2      GLN  41   5.351  -2.103  12.279
  305   2HE2  GLN  41          2HE2      GLN  41   3.688  -2.385  12.674
  306    H    ASN  42           H        ASN  42   9.669  -5.844  10.759
  307    HA   ASN  42           HA       ASN  42  10.527  -4.302   8.439
  308   1HB   ASN  42          1HB       ASN  42  12.151  -5.818  10.520
  309   2HB   ASN  42          2HB       ASN  42  12.796  -5.603   8.904
  310   1HD2  ASN  42          1HD2      ASN  42  11.014  -3.665  11.312
  311   2HD2  ASN  42          2HD2      ASN  42  12.009  -2.250  11.233
  312    HA   PRO  43           HA       PRO  43   9.197  -8.536   7.296
  313   1HB   PRO  43          1HB       PRO  43   7.404  -7.862   5.346
  314   2HB   PRO  43          2HB       PRO  43   6.943  -8.159   7.011
  315   1HG   PRO  43          1HG       PRO  43   7.170  -5.581   5.583
  316   2HG   PRO  43          2HG       PRO  43   6.323  -5.938   7.074
  317   1HD   PRO  43          1HD       PRO  43   8.849  -4.605   6.813
  318   2HD   PRO  43          2HD       PRO  43   8.057  -5.066   8.306
  319    H    THR  44           H        THR  44   9.159  -9.678   5.065
  320    HA   THR  44           HA       THR  44  11.498  -8.570   3.689
  321    HB   THR  44           HB       THR  44  11.341 -11.030   2.700
  322    HG1  THR  44           HG1      THR  44   9.605 -12.049   3.615
  323   1HG2  THR  44          1HG2      THR  44  13.142 -10.612   4.254
  324   2HG2  THR  44          2HG2      THR  44  12.008 -10.347   5.601
  325   3HG2  THR  44          3HG2      THR  44  12.240 -11.984   4.942
  326    H    GLU  45           H        GLU  45  11.569  -8.223   1.457
  327    HA   GLU  45           HA       GLU  45   9.179  -7.269   0.405
  328   1HB   GLU  45          1HB       GLU  45  10.483  -6.849  -1.633
  329   2HB   GLU  45          2HB       GLU  45  11.422  -6.408  -0.221
  330   1HG   GLU  45          1HG       GLU  45  13.071  -7.781  -0.951
  331   2HG   GLU  45          2HG       GLU  45  12.017  -9.146  -0.644
  332    H    ALA  46           H        ALA  46  10.560 -10.457   0.547
  333    HA   ALA  46           HA       ALA  46   9.446 -11.500  -1.829
  334   1HB   ALA  46          1HB       ALA  46   9.746 -13.682  -0.327
  335   2HB   ALA  46          2HB       ALA  46  11.153 -12.815  -0.989
  336   3HB   ALA  46          3HB       ALA  46  10.665 -12.558   0.703
  337    H    GLU  47           H        GLU  47   8.440 -11.817   1.656
  338    HA   GLU  47           HA       GLU  47   6.084 -13.098   1.134
  339   1HB   GLU  47          1HB       GLU  47   7.145 -11.423   3.392
  340   2HB   GLU  47          2HB       GLU  47   5.431 -11.789   3.403
  341   1HG   GLU  47          1HG       GLU  47   7.351 -14.054   2.865
  342   2HG   GLU  47          2HG       GLU  47   7.236 -13.450   4.507
  343    H    LEU  48           H        LEU  48   6.854  -9.585   1.190
  344    HA   LEU  48           HA       LEU  48   4.150  -8.773   0.906
  345   1HB   LEU  48          1HB       LEU  48   6.832  -7.452   0.712
  346   2HB   LEU  48          2HB       LEU  48   5.401  -6.605   0.157
  347    HG   LEU  48           HG       LEU  48   5.874  -5.919   2.399
  348   1HD1  LEU  48          1HD1      LEU  48   3.728  -5.878   2.999
  349   2HD1  LEU  48          2HD1      LEU  48   3.425  -6.915   1.584
  350   3HD1  LEU  48          3HD1      LEU  48   3.657  -7.646   3.191
  351   1HD2  LEU  48          1HD2      LEU  48   7.229  -7.574   3.326
  352   2HD2  LEU  48          2HD2      LEU  48   5.724  -7.683   4.271
  353   3HD2  LEU  48          3HD2      LEU  48   6.055  -8.868   2.985
  354    H    GLN  49           H        GLN  49   6.717  -9.852  -1.273
  355    HA   GLN  49           HA       GLN  49   5.973  -8.701  -3.600
  356   1HB   GLN  49          1HB       GLN  49   7.920 -10.294  -3.140
  357   2HB   GLN  49          2HB       GLN  49   6.793 -11.623  -3.328
  358   1HG   GLN  49          1HG       GLN  49   6.244 -10.850  -5.634
  359   2HG   GLN  49          2HG       GLN  49   7.332  -9.489  -5.448
  360   1HE2  GLN  49          1HE2      GLN  49   7.357 -11.691  -7.358
  361   2HE2  GLN  49          2HE2      GLN  49   8.893 -12.479  -7.223
  362    H    ASP  50           H        ASP  50   4.450 -11.457  -1.880
  363    HA   ASP  50           HA       ASP  50   2.769 -12.157  -4.005
  364   1HB   ASP  50          1HB       ASP  50   3.208 -13.742  -2.215
  365   2HB   ASP  50          2HB       ASP  50   2.649 -12.616  -0.995
  366    H    MET  51           H        MET  51   2.701  -9.779  -1.354
  367    HA   MET  51           HA       MET  51  -0.069  -9.324  -1.416
  368   1HB   MET  51          1HB       MET  51   2.250  -7.523  -0.513
  369   2HB   MET  51          2HB       MET  51   0.569  -7.275  -0.083
  370   1HG   MET  51          1HG       MET  51   2.276  -9.696   0.670
  371   2HG   MET  51          2HG       MET  51   1.756  -8.423   1.756
  372   1HE   MET  51          1HE       MET  51   0.249  -8.773   3.259
  373   2HE   MET  51          2HE       MET  51  -1.180  -9.835   3.262
  374   3HE   MET  51          3HE       MET  51   0.451 -10.537   3.392
  375    H    ILE  52           H        ILE  52   2.731  -7.323  -2.617
  376    HA   ILE  52           HA       ILE  52   1.309  -5.359  -3.850
  377    HB   ILE  52           HB       ILE  52   3.292  -5.165  -5.361
  378   1HG1  ILE  52          1HG1      ILE  52   5.248  -6.706  -4.473
  379   2HG1  ILE  52          2HG1      ILE  52   3.936  -7.802  -4.084
  380   1HG2  ILE  52          1HG2      ILE  52   4.063  -3.900  -3.714
  381   2HG2  ILE  52          2HG2      ILE  52   3.069  -4.805  -2.547
  382   3HG2  ILE  52          3HG2      ILE  52   4.730  -5.337  -2.903
  383   1HD1  ILE  52          1HD1      ILE  52   5.077  -7.139  -6.695
  384   2HD1  ILE  52          2HD1      ILE  52   3.988  -8.475  -6.248
  385   3HD1  ILE  52          3HD1      ILE  52   3.315  -6.884  -6.679
  386    H    ASN  53           H        ASN  53   2.277  -8.569  -5.223
  387    HA   ASN  53           HA       ASN  53   1.129  -8.095  -7.700
  388   1HB   ASN  53          1HB       ASN  53   2.752 -10.006  -6.853
  389   2HB   ASN  53          2HB       ASN  53   1.282 -10.855  -6.418
  390   1HD2  ASN  53          1HD2      ASN  53   2.426 -12.299  -8.048
  391   2HD2  ASN  53          2HD2      ASN  53   1.941 -12.157  -9.704
  392    H    GLU  54           H        GLU  54  -0.106  -9.254  -4.552
  393    HA   GLU  54           HA       GLU  54  -2.483 -10.356  -5.527
  394   1HB   GLU  54          1HB       GLU  54  -1.637 -10.969  -3.330
  395   2HB   GLU  54          2HB       GLU  54  -1.682  -9.305  -2.782
  396   1HG   GLU  54          1HG       GLU  54  -3.677 -10.106  -1.868
  397   2HG   GLU  54          2HG       GLU  54  -4.262  -9.456  -3.387
  398    H    VAL  55           H        VAL  55  -1.851  -7.218  -3.785
  399    HA   VAL  55           HA       VAL  55  -4.409  -6.201  -4.138
  400    HB   VAL  55           HB       VAL  55  -3.409  -4.067  -3.575
  401   1HG1  VAL  55          1HG1      VAL  55  -2.266  -4.715  -1.466
  402   2HG1  VAL  55          2HG1      VAL  55  -3.766  -5.631  -1.753
  403   3HG1  VAL  55          3HG1      VAL  55  -2.186  -6.393  -2.054
  404   1HG2  VAL  55          1HG2      VAL  55  -0.806  -5.450  -4.257
  405   2HG2  VAL  55          2HG2      VAL  55  -1.461  -3.926  -4.903
  406   3HG2  VAL  55          3HG2      VAL  55  -0.874  -4.001  -3.225
  407    H    ASP  56           H        ASP  56  -1.440  -5.954  -6.180
  408    HA   ASP  56           HA       ASP  56  -2.337  -4.145  -7.981
  409   1HB   ASP  56          1HB       ASP  56  -0.049  -5.222  -7.880
  410   2HB   ASP  56          2HB       ASP  56  -0.730  -6.670  -8.593
  411    H    ALA  57           H        ALA  57  -4.289  -4.207  -9.111
  412    HA   ALA  57           HA       ALA  57  -5.323  -6.833  -9.883
  413   1HB   ALA  57          1HB       ALA  57  -6.911  -4.326 -10.232
  414   2HB   ALA  57          2HB       ALA  57  -7.420  -5.932  -9.655
  415   3HB   ALA  57          3HB       ALA  57  -6.552  -4.827  -8.562
  416    H    ASP  58           H        ASP  58  -4.874  -3.471 -11.197
  417    HA   ASP  58           HA       ASP  58  -5.551  -3.854 -13.729
  418   1HB   ASP  58          1HB       ASP  58  -4.292  -1.949 -14.223
  419   2HB   ASP  58          2HB       ASP  58  -4.408  -1.825 -12.479
  420    H    GLY  59           H        GLY  59  -2.611  -5.019 -12.044
  421   1HA   GLY  59          1HA       GLY  59  -1.471  -6.953 -12.699
  422   2HA   GLY  59          2HA       GLY  59  -1.985  -6.713 -14.357
  423    H    ASP  60           H        ASP  60   0.551  -6.257 -12.081
  424    HA   ASP  60           HA       ASP  60   2.231  -5.243 -14.080
  425   1HB   ASP  60          1HB       ASP  60   2.302  -3.331 -11.811
  426   2HB   ASP  60          2HB       ASP  60   2.473  -3.025 -13.528
  427    H    GLY  61           H        GLY  61   1.691  -5.141 -10.470
  428   1HA   GLY  61          1HA       GLY  61   2.841  -6.882  -9.179
  429   2HA   GLY  61          2HA       GLY  61   4.274  -6.547 -10.131
  430    H    THR  62           H        THR  62   2.018  -3.981  -9.071
  431    HA   THR  62           HA       THR  62   3.744  -3.265  -6.850
  432    HB   THR  62           HB       THR  62   3.284  -1.398  -9.236
  433    HG1  THR  62           HG1      THR  62   5.442  -2.022  -9.718
  434   1HG2  THR  62          1HG2      THR  62   3.647  -0.167  -7.109
  435   2HG2  THR  62          2HG2      THR  62   5.043  -1.206  -6.734
  436   3HG2  THR  62          3HG2      THR  62   5.114  -0.083  -8.113
  437    H    ILE  63           H        ILE  63   2.820  -1.449  -5.560
  438    HA   ILE  63           HA       ILE  63  -0.065  -1.779  -5.539
  439    HB   ILE  63           HB       ILE  63   1.734  -0.406  -3.542
  440   1HG1  ILE  63          1HG1      ILE  63   0.970  -3.302  -3.861
  441   2HG1  ILE  63          2HG1      ILE  63   2.552  -2.601  -3.582
  442   1HG2  ILE  63          1HG2      ILE  63  -1.080  -1.493  -3.254
  443   2HG2  ILE  63          2HG2      ILE  63  -0.116  -0.677  -2.000
  444   3HG2  ILE  63          3HG2      ILE  63  -0.649   0.224  -3.440
  445   1HD1  ILE  63          1HD1      ILE  63   1.640  -1.777  -1.310
  446   2HD1  ILE  63          2HD1      ILE  63   0.253  -2.852  -1.606
  447   3HD1  ILE  63          3HD1      ILE  63   1.893  -3.531  -1.478
  448    H    ASP  64           H        ASP  64  -1.465   0.168  -5.192
  449    HA   ASP  64           HA       ASP  64  -0.273   2.562  -6.309
  450   1HB   ASP  64          1HB       ASP  64  -2.939   1.399  -7.241
  451   2HB   ASP  64          2HB       ASP  64  -2.198   2.874  -7.829
  452    H    PHE  65           H        PHE  65  -2.519   4.213  -6.375
  453    HA   PHE  65           HA       PHE  65  -3.066   4.564  -3.619
  454   1HB   PHE  65          1HB       PHE  65  -3.124   6.005  -6.072
  455   2HB   PHE  65          2HB       PHE  65  -4.814   5.919  -5.613
  456    HD1  PHE  65           HD1      PHE  65  -4.339   5.978  -2.582
  457    HD2  PHE  65           HD2      PHE  65  -2.816   8.337  -5.764
  458    HE1  PHE  65           HE1      PHE  65  -4.008   7.899  -1.000
  459    HE2  PHE  65           HE2      PHE  65  -2.486  10.258  -4.183
  460    HZ   PHE  65           HZ       PHE  65  -3.086  10.016  -1.820
  461    HA   PRO  66           HA       PRO  66  -7.377   3.124  -4.966
  462   1HB   PRO  66          1HB       PRO  66  -7.723   1.947  -7.408
  463   2HB   PRO  66          2HB       PRO  66  -8.036   3.645  -7.110
  464   1HG   PRO  66          1HG       PRO  66  -5.754   2.400  -8.519
  465   2HG   PRO  66          2HG       PRO  66  -6.304   4.063  -8.575
  466   1HD   PRO  66          1HD       PRO  66  -4.042   3.052  -7.131
  467   2HD   PRO  66          2HD       PRO  66  -4.661   4.691  -7.095
  468    H    GLU  67           H        GLU  67  -4.665   1.217  -5.959
  469    HA   GLU  67           HA       GLU  67  -5.960  -1.235  -5.514
  470   1HB   GLU  67          1HB       GLU  67  -3.088  -0.352  -5.863
  471   2HB   GLU  67          2HB       GLU  67  -3.425  -1.996  -5.358
  472   1HG   GLU  67          1HG       GLU  67  -4.807  -2.390  -7.351
  473   2HG   GLU  67          2HG       GLU  67  -4.690  -0.706  -7.820
  474    H    PHE  68           H        PHE  68  -3.403   0.532  -3.611
  475    HA   PHE  68           HA       PHE  68  -3.444  -1.144  -1.425
  476   1HB   PHE  68          1HB       PHE  68  -1.991   0.971  -2.212
  477   2HB   PHE  68          2HB       PHE  68  -3.149   1.896  -1.276
  478    HD1  PHE  68           HD1      PHE  68  -1.882   2.670   0.524
  479    HD2  PHE  68           HD2      PHE  68  -1.723  -1.448  -0.490
  480    HE1  PHE  68           HE1      PHE  68  -0.565   2.207   2.610
  481    HE2  PHE  68           HE2      PHE  68  -0.405  -1.910   1.596
  482    HZ   PHE  68           HZ       PHE  68   0.158  -0.077   3.121
  483    H    LEU  69           H        LEU  69  -5.566   1.618  -2.286
  484    HA   LEU  69           HA       LEU  69  -6.737   2.151   0.105
  485   1HB   LEU  69          1HB       LEU  69  -7.639   3.555  -1.345
  486   2HB   LEU  69          2HB       LEU  69  -7.352   2.481  -2.700
  487    HG   LEU  69           HG       LEU  69  -9.437   1.238  -2.108
  488   1HD1  LEU  69          1HD1      LEU  69  -9.281   2.249   0.338
  489   2HD1  LEU  69          2HD1      LEU  69 -10.325   3.501  -0.376
  490   3HD1  LEU  69          3HD1      LEU  69 -10.838   1.796  -0.397
  491   1HD2  LEU  69          1HD2      LEU  69 -10.038   4.164  -2.538
  492   2HD2  LEU  69          2HD2      LEU  69  -9.262   3.155  -3.783
  493   3HD2  LEU  69          3HD2      LEU  69 -10.887   2.740  -3.186
  494    H    THR  70           H        THR  70  -7.628  -0.477  -2.226
  495    HA   THR  70           HA       THR  70  -9.647  -1.514  -0.507
  496    HB   THR  70           HB       THR  70  -8.185  -2.483  -3.009
  497    HG1  THR  70           HG1      THR  70 -10.940  -1.733  -2.332
  498   1HG2  THR  70          1HG2      THR  70  -8.919  -4.571  -2.158
  499   2HG2  THR  70          2HG2      THR  70 -10.283  -3.837  -1.280
  500   3HG2  THR  70          3HG2      THR  70 -10.356  -4.015  -3.049
  501    H    MET  71           H        MET  71  -6.239  -2.473  -1.243
  502    HA   MET  71           HA       MET  71  -6.082  -4.750   0.129
  503   1HB   MET  71          1HB       MET  71  -4.155  -3.801  -1.044
  504   2HB   MET  71          2HB       MET  71  -4.142  -2.386  -0.009
  505   1HG   MET  71          1HG       MET  71  -2.345  -3.927   0.674
  506   2HG   MET  71          2HG       MET  71  -3.538  -3.816   1.952
  507   1HE   MET  71          1HE       MET  71  -1.798  -7.044  -0.193
  508   2HE   MET  71          2HE       MET  71  -1.270  -5.618   0.732
  509   3HE   MET  71          3HE       MET  71  -1.697  -7.122   1.582
  510    H    MET  72           H        MET  72  -5.441  -1.485   1.615
  511    HA   MET  72           HA       MET  72  -5.148  -2.414   4.177
  512   1HB   MET  72          1HB       MET  72  -5.366   0.104   2.779
  513   2HB   MET  72          2HB       MET  72  -6.454   0.197   4.149
  514   1HG   MET  72          1HG       MET  72  -3.789  -0.987   4.775
  515   2HG   MET  72          2HG       MET  72  -3.736   0.691   4.273
  516   1HE   MET  72          1HE       MET  72  -2.862   0.919   7.313
  517   2HE   MET  72          2HE       MET  72  -3.819  -0.218   8.294
  518   3HE   MET  72          3HE       MET  72  -2.980  -0.790   6.832
  519    H    ALA  73           H        ALA  73  -8.112  -0.966   2.636
  520    HA   ALA  73           HA       ALA  73  -9.829  -1.163   4.730
  521   1HB   ALA  73          1HB       ALA  73 -10.853  -0.155   2.962
  522   2HB   ALA  73          2HB       ALA  73 -10.014  -1.172   1.765
  523   3HB   ALA  73          3HB       ALA  73 -11.444  -1.799   2.621
  524    H    ARG  74           H        ARG  74  -9.201  -3.721   2.222
  525    HA   ARG  74           HA       ARG  74 -10.837  -5.589   3.404
  526   1HB   ARG  74          1HB       ARG  74  -8.358  -5.901   1.644
  527   2HB   ARG  74          2HB       ARG  74  -9.378  -7.257   2.083
  528   1HG   ARG  74          1HG       ARG  74 -10.840  -4.887   1.006
  529   2HG   ARG  74          2HG       ARG  74  -9.770  -5.673  -0.138
  530   1HD   ARG  74          1HD       ARG  74 -10.871  -7.862   0.301
  531   2HD   ARG  74          2HD       ARG  74 -11.905  -7.120   1.505
  532    HE   ARG  74           HE       ARG  74 -12.092  -5.752  -1.057
  533   1HH1  ARG  74          2HH2      ARG  74 -13.230  -8.554   0.743
  534   2HH1  ARG  74          1HH2      ARG  74 -14.691  -8.709  -0.174
  535   1HH2  ARG  74          2HH1      ARG  74 -14.020  -5.957  -2.267
  536   2HH2  ARG  74          1HH1      ARG  74 -15.144  -7.222  -1.897
  537    H    LYS  75           H        LYS  75  -7.381  -4.746   3.910
  538    HA   LYS  75           HA       LYS  75  -6.417  -6.853   5.267
  539   1HB   LYS  75          1HB       LYS  75  -5.609  -4.284   4.805
  540   2HB   LYS  75          2HB       LYS  75  -5.839  -4.247   6.542
  541   1HG   LYS  75          1HG       LYS  75  -3.606  -4.990   6.329
  542   2HG   LYS  75          2HG       LYS  75  -4.486  -6.484   6.583
  543   1HD   LYS  75          1HD       LYS  75  -4.203  -5.583   3.735
  544   2HD   LYS  75          2HD       LYS  75  -2.733  -6.115   4.527
  545   1HE   LYS  75          1HE       LYS  75  -4.384  -8.134   5.311
  546   2HE   LYS  75          2HE       LYS  75  -5.190  -7.693   3.819
  547   1HZ   LYS  75          1HZ       LYS  75  -2.518  -7.733   3.241
  548   2HZ   LYS  75          2HZ       LYS  75  -2.766  -9.060   4.161
  549   3HZ   LYS  75          3HZ       LYS  75  -3.634  -8.839   2.795
  550    H    MET  76           H        MET  76  -8.260  -4.124   6.812
  551    HA   MET  76           HA       MET  76  -8.359  -5.246   9.304
  552   1HB   MET  76          1HB       MET  76 -10.047  -3.284   7.728
  553   2HB   MET  76          2HB       MET  76 -10.679  -3.834   9.268
  554   1HG   MET  76          1HG       MET  76  -7.930  -3.209   9.735
  555   2HG   MET  76          2HG       MET  76  -8.554  -1.903   8.748
  556   1HE   MET  76          1HE       MET  76  -9.982  -3.316  12.831
  557   2HE   MET  76          2HE       MET  76  -9.011  -4.183  11.617
  558   3HE   MET  76          3HE       MET  76  -8.277  -2.874  12.575
  559    H    LYS  77           H        LYS  77 -10.597  -5.651   6.500
  560    HA   LYS  77           HA       LYS  77 -12.559  -7.096   7.835
  561   1HB   LYS  77          1HB       LYS  77 -12.101  -6.160   5.252
  562   2HB   LYS  77          2HB       LYS  77 -12.149  -7.900   5.055
  563   1HG   LYS  77          1HG       LYS  77 -14.383  -8.022   5.538
  564   2HG   LYS  77          2HG       LYS  77 -14.253  -6.903   6.881
  565   1HD   LYS  77          1HD       LYS  77 -15.057  -5.207   5.611
  566   2HD   LYS  77          2HD       LYS  77 -13.782  -5.435   4.431
  567   1HE   LYS  77          1HE       LYS  77 -15.111  -6.703   3.024
  568   2HE   LYS  77          2HE       LYS  77 -15.964  -7.477   4.345
  569   1HZ   LYS  77          1HZ       LYS  77 -17.573  -6.022   4.087
  570   2HZ   LYS  77          2HZ       LYS  77 -16.570  -4.763   4.364
  571   3HZ   LYS  77          3HZ       LYS  77 -16.787  -5.314   2.842
  572    H    ASP  78           H        ASP  78  -9.658  -8.238   5.978
  573    HA   ASP  78           HA       ASP  78 -10.118 -10.910   6.370
  574   1HB   ASP  78          1HB       ASP  78  -8.086  -9.264   5.279
  575   2HB   ASP  78          2HB       ASP  78  -7.264 -10.220   6.497
  576    H    THR  79           H        THR  79  -7.854  -8.665   8.155
  577    HA   THR  79           HA       THR  79  -7.169 -10.497  10.157
  578    HB   THR  79           HB       THR  79  -6.355  -8.385  11.293
  579    HG1  THR  79           HG1      THR  79  -6.838  -6.448   9.811
  580   1HG2  THR  79          1HG2      THR  79  -5.735  -7.714   8.467
  581   2HG2  THR  79          2HG2      THR  79  -4.626  -8.128   9.796
  582   3HG2  THR  79          3HG2      THR  79  -5.428  -9.420   8.871