*HEADER    ELECTRON TRANSPORT                      20-DEC-99   1DO9              
*TITLE     SOLUTION STRUCTURE OF OXIDIZED MICROSOMAL RABBIT CYTOCHROME           
*TITLE    2 B5. FACTORS DETERMINING THE HETEROGENEOUS BINDING OF THE             
*TITLE    3 HEME.                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME B5;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SOLUBLE DOMAIN;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS;                          
*SOURCE   3 ORGANISM_COMMON: RABBIT;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PKK223                                    
*KEYWDS    CYTOCHROME, HEME                                                      
*EXPDTA    NMR, 40 STRUCTURES                                                    
*AUTHOR    L.BANCI, I.BERTINI, A.ROSATO, S.SCACCHIERI                            
*REVDAT   1   05-JAN-00 1DO9    0                                                
  2 ASP- 
         HN      2 ASP- HA      3.60                
         HA      2 ASP- QB      4.70                
  3 ASP- 
         HA      4 VAL  HN      3.30                
         HA      4 VAL  HA      5.50                
  4 VAL  
         HN      4 VAL  HA      3.80                
         HN      4 VAL  HB      3.10                
         HN      4 VAL  QG1     4.70                
         HN      4 VAL  QG2     3.70                
         HN      5 LYS+ HN      3.70                
         HA      4 VAL  HB      4.00                
         HA      4 VAL  QG1     3.90                
         HA      4 VAL  QG2     4.10                
         HA      5 LYS+ HN      3.10                
         HA      5 LYS+ HA      5.40                
         HB      4 VAL  QG1     3.40                
         HB      4 VAL  QG2     3.40                
         HB      6 TYR  HA      5.50                
         HB      6 TYR  HB2     5.50                
         HB      6 TYR  CG      7.50                
         HB      6 TYR  CZ      7.50                
         HB     78 GLU- HN      5.50                
         QG1     5 LYS+ HN      4.80                
         QG1     6 TYR  HA      6.50                
         QG1     6 TYR  CG      8.40                
         QG1     6 TYR  CZ      7.00                
         QG1    77 GLY  HA2     6.10                
         QG1    78 GLU- HN      5.50                
         QG1    78 GLU- QG      5.80                
         QG2     5 LYS+ HN      5.40                
         QG2     6 TYR  CZ      8.40                
         QG2    78 GLU- QG      7.00                
  5 LYS+ 
         HN      5 LYS+ HA      3.30                
         HN      5 LYS+ QB      4.20                
         HN      5 LYS+ HG2     5.50                
         HN      5 LYS+ HG3     5.40                
         HN     78 GLU- HN      4.60                
         HA      5 LYS+ QB      4.30                
         HA      5 LYS+ HG3     5.50                
         HA      6 TYR  HN      3.50                
         HA      6 TYR  HA      5.50                
         HA     77 GLY  HA1     3.80                
         QB      5 LYS+ HG2     4.90                
         QB      5 LYS+ HG3     5.30                
         QB      5 LYS+ HE2     4.20                
         QB      6 TYR  HN      5.00                
         QB      7 TYR  CG      8.50                
         QB      7 TYR  CZ      8.50                
         QB     77 GLY  HN      6.50                
         QB     77 GLY  HA1     6.50                
         HG3     5 LYS+ HE2     4.00                
         HG3     7 TYR  CZ      7.50                
         HE2     7 TYR  CG      7.50                
         HE2     7 TYR  CZ      7.50                
  6 TYR  
         HN      6 TYR  HA      4.50                
         HN      6 TYR  HB2     3.50                
         HN      6 TYR  HB3     3.80                
         HN      6 TYR  CG      6.90                
         HN      7 TYR  HN      4.00                
         HA      6 TYR  HB2     3.70                
         HA      6 TYR  HB3     4.00                
         HA      6 TYR  CG      4.90                
         HA      6 TYR  CZ      6.10                
         HA      7 TYR  HN      3.10                
         HA      7 TYR  HA      5.50                
         HA      7 TYR  HB2     5.00                
         HA     78 GLU- HN      3.50                
         HA     78 GLU- QB      6.50                
         HA     78 GLU- QG      6.50                
         HA     79 LEU  HN      5.50                
         HA     79 LEU  HA      5.50                
         HA     80 HIS  HA      5.50                
         HB2     6 TYR  CG      6.10                
         HB2     6 TYR  CZ      7.50                
         HB2     7 TYR  HN      4.20                
         HB2    80 HIS  HA      5.50                
         HB2    80 HIS  HD2     5.50                
         HB3     6 TYR  CG      6.20                
         HB3     6 TYR  CZ      7.50                
         HB3    80 HIS  HA      5.30                
         HB3    80 HIS  HD2     5.50                
         CG      6 TYR  CZ      7.70                
         CG      7 TYR  HN      7.50                
         CG     78 GLU- HN      7.50                
         CG     78 GLU- QB      8.50                
         CG     78 GLU- QG      8.50                
         CG     79 LEU  HN      7.50                
         CG     79 LEU  HA      7.50                
         CG     80 HIS  HA      7.50                
         CZ     78 GLU- HN      7.50                
         CZ     78 GLU- QB      8.50                
         CZ     78 GLU- QG      8.50                
         CZ     80 HIS  HD2     7.50                
  7 TYR  
         HN      7 TYR  HA      4.00                
         HN      7 TYR  HB2     3.90                
         HN      7 TYR  HB3     3.20                
         HN      7 TYR  CG      6.80                
         HN      7 TYR  CZ      6.50                
         HN      8 THR  HN      5.50                
         HN     11 GLU- QG      6.50                
         HN     29 VAL  QG2     6.00                
         HN     77 GLY  HA2     5.50                
         HN     78 GLU- HN      4.00                
         HN     78 GLU- QG      6.50                
         HN     79 LEU  HA      4.10                
         HN     80 HIS  HN      3.90                
         HA      7 TYR  HB2     3.40                
         HA      7 TYR  HB3     4.70                
         HA      7 TYR  CG      5.20                
         HA      7 TYR  CZ      6.10                
         HA      8 THR  HN      3.70                
         HB2     7 TYR  CG      6.00                
         HB2     7 TYR  CZ      7.50                
         HB2     8 THR  HN      4.00                
         HB2    11 GLU- HB3     5.50                
         HB2    12 ILE  HA      5.50                
         HB2    12 ILE  HG12    5.50                
         HB2    12 ILE  HG13    5.50                
         HB2    22 TRP  HE3     5.50                
         HB2    22 TRP  HZ3     5.50                
         HB2    22 TRP  HH2     5.50                
         HB2    29 VAL  QG1     6.50                
         HB2    29 VAL  QG2     4.80                
         HB2    78 GLU- HN      5.50                
         HB3     7 TYR  CG      5.90                
         HB3     7 TYR  CZ      7.50                
         HB3     8 THR  HN      3.90                
         HB3    12 ILE  HA      5.50                
         HB3    12 ILE  HG12    4.50                
         HB3    12 ILE  HG13    4.80                
         HB3    22 TRP  HZ3     5.50                
         HB3    29 VAL  HB      5.50                
         HB3    29 VAL  QG2     4.90                
         CG      7 TYR  CZ      7.80                
         CG      8 THR  HN      7.50                
         CG      8 THR  HA      7.50                
         CG      8 THR  QG2     8.50                
         CG     11 GLU- HB3     7.50                
         CG     11 GLU- QG      8.50                
         CG     12 ILE  HN      7.50                
         CG     12 ILE  HA      7.30                
         CG     12 ILE  HG13    7.50                
         CG     22 TRP  HZ3     7.50                
         CG     22 TRP  HH2     7.50                
         CG     29 VAL  HA      7.50                
         CG     29 VAL  HB      7.50                
         CG     29 VAL  QG1     7.50                
         CG     29 VAL  QG2     6.90                
         CG     76 ILE  HG12    7.50                
         CG     76 ILE  HG13    7.50                
         CG     76 ILE  QD1     8.50                
         CG     77 GLY  HA1     7.50                
         CG     78 GLU- HN      7.50                
         CZ     11 GLU- QG      8.50                
         CZ     22 TRP  HZ3     7.50                
         CZ     22 TRP  HH2     7.50                
         CZ     29 VAL  HB      7.50                
         CZ     29 VAL  QG1     8.10                
         CZ     29 VAL  QG2     8.50                
         CZ     76 ILE  HA      7.50                
         CZ     76 ILE  HB      7.50                
         CZ     76 ILE  QG2     8.00                
         CZ     76 ILE  HG12    7.50                
         CZ     76 ILE  HG13    7.50                
         CZ     76 ILE  QD1     7.20                
         CZ     77 GLY  HA1     7.20                
         CZ     77 GLY  HA2     7.50                
         CZ     78 GLU- HN      7.50                
  8 THR  
         HN      8 THR  HA      4.00                
         HN      8 THR  HB      4.20                
         HN      8 THR  QG2     3.80                
         HN      9 LEU  HN      5.50                
         HN     11 GLU- HN      5.00                
         HN     11 GLU- HB2     5.50                
         HN     11 GLU- HB3     3.30                
         HN     12 ILE  HG13    5.50                
         HA      8 THR  QG2     3.50                
         HA      9 LEU  HN      3.40                
         HA     10 GLU- HN      4.70                
         HA     11 GLU- HB3     5.50                
         HA     80 HIS  HN      3.30                
         HA     80 HIS  HB2     5.20                
         HA     80 HIS  HD2     5.50                
         HB      8 THR  QG2     3.20                
         HB      9 LEU  HN      3.70                
         HB      9 LEU  QD1     6.50                
         HB     10 GLU- HN      3.30                
         HB     11 GLU- HN      4.90                
         QG2     9 LEU  HN      5.50                
         QG2    10 GLU- HN      5.80                
         QG2    11 GLU- HN      6.50                
         QG2    11 GLU- HB3     6.50                
         QG2    80 HIS  HN      6.30                
         QG2    80 HIS  HB2     5.40                
         QG2    80 HIS  HB3     5.60                
         QG2    80 HIS  HD2     4.70                
  9 LEU  
         HN      9 LEU  HA      4.40                
         HN      9 LEU  HB2     3.90                
         HN      9 LEU  HG      4.50                
         HN      9 LEU  QD1     4.80                
         HN      9 LEU  QD2     4.60                
         HN     10 GLU- HN      3.90                
         HN     11 GLU- HN      5.50                
         HN     79 LEU  HG      5.50                
         HN     80 HIS  HN      5.50                
         HN     80 HIS  HB3     5.50                
         HN     83 ASP- HB2     5.50                
         HN     83 ASP- HB3     5.50                
         HA      9 LEU  HB2     3.60                
         HA      9 LEU  HG      3.70                
         HA      9 LEU  QD1     4.00                
         HA      9 LEU  QD2     4.00                
         HA     10 GLU- HN      4.60                
         HA     12 ILE  HN      4.10                
         HA     12 ILE  HB      2.90                
         HA     12 ILE  QG2     5.90                
         HA     12 ILE  HG13    4.60                
         HA     13 LYS+ HN      4.20                
         HB2     9 LEU  QD2     3.00                
         HB2    10 GLU- HN      3.50                
         HG      9 LEU  QD1     3.70                
         HG      9 LEU  QD2     3.60                
         HG     10 GLU- HN      5.50                
         QD1    13 LYS+ QD      6.10                
         QD1    80 HIS  HN      4.80                
         QD2    80 HIS  HN      5.70                
         QD2    83 ASP- HB2     5.40                
 10 GLU- 
         HN     10 GLU- HA      3.30                
         HN     10 GLU- HB3     3.30                
         HN     10 GLU- HG2     4.70                
         HN     10 GLU- HG3     4.50                
         HN     11 GLU- HN      3.50                
         HN     13 LYS+ HN      5.50                
         HA     10 GLU- HB2     3.70                
         HA     10 GLU- HB3     2.80                
         HA     10 GLU- HG2     4.10                
         HA     10 GLU- HG3     5.40                
         HA     11 GLU- HN      3.90                
         HA     13 LYS+ HN      4.30                
         HA     13 LYS+ QG      6.50                
         HB2    10 GLU- HG3     3.90                
 11 GLU- 
         HN     11 GLU- HA      3.80                
         HN     11 GLU- HB2     3.40                
         HN     11 GLU- HB3     3.00                
         HN     11 GLU- QG      6.50                
         HN     12 ILE  HN      3.40                
         HN     14 LYS+ QD      6.50                
         HA     11 GLU- HB2     3.50                
         HA     11 GLU- HB3     3.30                
         HA     11 GLU- QG      6.10                
         HA     12 ILE  HN      4.60                
         HA     13 LYS+ HN      5.10                
         HA     14 LYS+ HN      5.00                
         HA     14 LYS+ QG      5.90                
         HA     14 LYS+ QE      6.50                
         HA     15 HIS  HD2     5.50                
         HB2    11 GLU- QG      4.70                
         HB2    12 ILE  HN      4.10                
         HB3    11 GLU- QG      4.40                
         HB3    12 ILE  HN      3.50                
         HB3    12 ILE  HG13    5.50                
         HB3    22 TRP  HZ3     5.50                
         HB3    22 TRP  HH2     5.50                
         QG     12 ILE  HA      6.50                
         QG     14 LYS+ QG      7.50                
         QG     15 HIS  HD2     6.50                
         QG     22 TRP  HZ3     6.50                
         QG     22 TRP  HH2     6.50                
 12 ILE  
         HN     12 ILE  HA      3.90                
         HN     12 ILE  HB      3.30                
         HN     12 ILE  QG2     4.60                
         HN     12 ILE  HG12    3.70                
         HN     12 ILE  HG13    4.10                
         HN     13 LYS+ HN      3.40                
         HN     13 LYS+ QG      6.50                
         HN     14 LYS+ HN      4.80                
         HN     15 HIS  HD2     5.50                
         HN     22 TRP  HE3     5.50                
         HN     22 TRP  HZ3     5.50                
         HA     12 ILE  HB      4.30                
         HA     12 ILE  QG2     4.60                
         HA     12 ILE  HG12    4.40                
         HA     12 ILE  HG13    3.50                
         HA     13 LYS+ HN      4.50                
         HA     14 LYS+ HN      4.70                
         HA     15 HIS  HN      5.10                
         HA     15 HIS  HB2     4.90                
         HA     15 HIS  HD2     4.40                
         HA     22 TRP  HB2     5.50                
         HA     22 TRP  HE3     4.50                
         HA     22 TRP  HZ3     5.10                
         HA     22 TRP  HH2     5.50                
         HA     29 VAL  QG1     6.50                
         HB     12 ILE  QG2     3.30                
         HB     12 ILE  HG12    3.60                
         HB     12 ILE  HG13    3.40                
         HB     15 HIS  HD2     5.50                
         QG2    12 ILE  HG12    3.50                
         QG2    12 ILE  HG13    3.80                
         QG2    13 LYS+ HN      5.50                
         QG2    15 HIS  HD2     6.50                
         QG2    22 TRP  HA      6.40                
         QG2    22 TRP  HE3     4.40                
         QG2    22 TRP  HZ3     5.60                
         QG2    29 VAL  QG1     7.50                
         QG2    29 VAL  QG2     7.50                
         HG12   13 LYS+ HN      5.50                
         HG12   15 HIS  HD2     5.50                
         HG12   22 TRP  HE3     5.50                
         HG12   22 TRP  HZ3     5.50                
         HG12   29 VAL  QG1     6.10                
         HG13   13 LYS+ HN      5.00                
         HG13   14 LYS+ HN      5.50                
         HG13   22 TRP  HE3     4.20                
         HG13   22 TRP  HZ3     5.50                
         HG13   22 TRP  HH2     5.50                
         HG13   29 VAL  QG1     5.00                
         HG13   29 VAL  QG2     5.70                
         HG13   51 GLY  HA1     5.50                
         HG13   79 LEU  QD1     5.50                
 13 LYS+ 
         HN     13 LYS+ HA      3.50                
         HN     13 LYS+ QB      6.10                
         HN     13 LYS+ QG      4.90                
         HN     13 LYS+ QD      4.70                
         HN     14 LYS+ HN      3.60                
         HN     15 HIS  HD2     5.50                
         HA     13 LYS+ QB      6.50                
         HA     13 LYS+ QG      5.70                
         HA     13 LYS+ QD      5.40                
         HA     13 LYS+ QE      5.70                
         HA     14 LYS+ HN      4.50                
         HA     15 HIS  HN      4.30                
         HA     51 GLY  HN      5.50                
         HA     51 GLY  HA1     4.20                
         QB     13 LYS+ QD      5.90                
         QB     13 LYS+ QE      7.50                
         QB     14 LYS+ HN      6.50                
         QD     13 LYS+ QE      7.50                
         QD     14 LYS+ HN      6.50                
 14 LYS+ 
         HN     14 LYS+ HA      3.50                
         HN     14 LYS+ QB      3.70                
         HN     14 LYS+ QG      5.70                
         HN     14 LYS+ QD      5.20                
         HN     14 LYS+ QE      6.50                
         HN     15 HIS  HN      3.20                
         HN     15 HIS  HD2     5.50                
         HA     14 LYS+ QB      4.20                
         HA     14 LYS+ QG      5.10                
         HA     14 LYS+ QD      5.50                
         HA     14 LYS+ QE      6.50                
         HA     16 ASN  HD21    5.50                
         HA     17 HIS  HD2     5.50                
         QB     14 LYS+ QG      6.40                
         QB     14 LYS+ QE      7.00                
         QB     15 HIS  HN      5.60                
         QB     15 HIS  HD2     6.50                
         QG     14 LYS+ QE      7.50                
         QG     15 HIS  HN      6.50                
         QD     14 LYS+ QE      7.50                
         QD     15 HIS  HN      6.50                
         QD     15 HIS  HD2     6.50                
 15 HIS  
         HN     15 HIS  HA      3.50                
         HN     15 HIS  HB2     3.80                
         HN     15 HIS  HB3     3.90                
         HN     15 HIS  HD2     4.10                
         HN     16 ASN  HN      4.10                
         HN     22 TRP  HN      5.20                
         HN     51 GLY  HA2     4.80                
         HA     15 HIS  HB2     3.30                
         HA     15 HIS  HD2     5.30                
         HA     16 ASN  HN      3.30                
         HA     16 ASN  HB2     5.50                
         HA     17 HIS  HN      4.40                
         HA     20 SER  HB3     5.50                
         HB2    15 HIS  HD2     4.40                
         HB2    16 ASN  HN      4.10                
         HB2    17 HIS  HD2     5.50                
         HB2    22 TRP  HN      5.50                
         HB3    15 HIS  HD2     5.50                
         HB3    22 TRP  HN      5.50                
 16 ASN  
         HN     16 ASN  HA      3.70                
         HN     16 ASN  HB2     3.70                
         HN     16 ASN  HB3     4.00                
         HN     20 SER  HB2     5.50                
         HN     20 SER  HB3     5.50                
         HN     50 ALA  QB      6.10                
         HN     51 GLY  HA2     5.20                
         HA     16 ASN  HB2     3.40                
         HA     16 ASN  HB3     3.20                
         HA     16 ASN  HD22    5.50                
         HA     17 HIS  HN      3.30                
         HA     17 HIS  HD2     5.50                
         HA     21 THR  HA      5.50                
         HA     50 ALA  QB      3.80                
         HB2    16 ASN  HD21    3.60                
         HB2    50 ALA  QB      6.50                
         HB3    16 ASN  HD21    4.00                
         HB3    50 ALA  QB      5.20                
 17 HIS  
         HN     17 HIS  HA      3.70                
         HN     17 HIS  HB2     4.00                
         HN     17 HIS  HB3     4.10                
         HN     17 HIS  HD2     3.80                
         HN     19 LYS+ HN      4.30                
         HN     20 SER  HN      4.20                
         HN     21 THR  HA      5.30                
         HN     21 THR  QG2     6.50                
         HN     50 ALA  QB      5.80                
         HA     17 HIS  HB2     3.00                
         HA     17 HIS  HB3     3.30                
         HA     17 HIS  HD2     5.30                
         HB2    17 HIS  HD2     4.50                
         HB3    17 HIS  HD2     3.90                
 19 LYS+ 
         HN     19 LYS+ HA      3.20                
         HN     19 LYS+ HB2     3.90                
         HN     19 LYS+ HB3     3.40                
         HN     19 LYS+ QB      5.40                
         HN     19 LYS+ QG      5.90                
         HN     19 LYS+ QD      6.50                
         HN     19 LYS+ QE      6.50                
         HN     20 SER  HN      3.50                
         HA     19 LYS+ HB2     3.60                
         HA     19 LYS+ QG      5.10                
         HA     19 LYS+ QD      6.40                
         HA     20 SER  HN      3.60                
         HA     33 THR  QG2     5.70                
         HB2    20 SER  HN      4.50                
         HB3    20 SER  HN      5.20                
 20 SER  
         HN     20 SER  HA      3.70                
         HN     20 SER  HB2     4.40                
         HN     20 SER  HB3     3.90                
         HN     21 THR  HN      4.50                
         HN     21 THR  HB      5.50                
         HN     33 THR  HA      5.50                
         HN     33 THR  HB      5.50                
         HN     33 THR  QG2     5.40                
         HA     20 SER  HB2     3.80                
         HA     20 SER  HB3     3.60                
         HA     21 THR  HN      3.00                
         HA     22 TRP  HD1     5.50                
         HA     22 TRP  HE1     5.50                
         HA     33 THR  HN      4.90                
         HA     33 THR  HB      5.50                
         HB2    21 THR  HN      5.50                
         HB3    21 THR  HN      5.50                
 21 THR  
         HN     21 THR  HA      3.80                
         HN     21 THR  HB      3.40                
         HN     21 THR  QG2     5.10                
         HN     22 TRP  HD1     5.50                
         HN     33 THR  HA      3.30                
         HN     33 THR  HB      5.50                
         HN     33 THR  QG2     5.20                
         HA     21 THR  HB      4.10                
         HA     21 THR  QG2     3.80                
         HA     22 TRP  HN      3.00                
         HA     22 TRP  HA      4.80                
         HA     50 ALA  QB      6.30                
         HB     21 THR  QG2     3.30                
         HB     32 LEU  HN      5.50                
         HB     32 LEU  HG      5.50                
         HB     32 LEU  QD1     6.50                
         HB     33 THR  HN      5.50                
         HB     33 THR  HB      4.80                
         HB     33 THR  QG2     5.60                
         HB     36 LEU  QD1     5.50                
         HB     36 LEU  QD2     4.90                
         QG2    22 TRP  HN      5.50                
         QG2    22 TRP  HA      6.50                
         QG2    22 TRP  HB2     6.50                
         QG2    23 LEU  HN      6.50                
         QG2    23 LEU  QD2     7.50                
         QG2    32 LEU  HN      6.50                
         QG2    33 THR  HA      4.40                
         QG2    36 LEU  QD1     5.40                
         QG2    36 LEU  QD2     4.40                
         QG2    47 ARG+ HN      5.60                
         QG2    47 ARG+ HA      5.60                
         QG2    50 ALA  HA      5.00                
         QG2    50 ALA  QB      5.00                
         QG2    51 GLY  HN      5.40                
 22 TRP  
         HN     22 TRP  HA      4.00                
         HN     22 TRP  HB2     4.00                
         HN     22 TRP  HB3     4.00                
         HN     22 TRP  HD1     4.80                
         HN     23 LEU  HG      5.50                
         HN     31 ASP- HA      4.90                
         HN     50 ALA  HA      5.30                
         HN     50 ALA  QB      5.50                
         HN     51 GLY  HN      3.90                
         HA     22 TRP  HB2     3.80                
         HA     22 TRP  HB3     3.60                
         HA     22 TRP  HD1     3.70                
         HA     22 TRP  HE3     5.50                
         HA     22 TRP  HE1     5.50                
         HA     23 LEU  HN      3.10                
         HA     23 LEU  HA      5.50                
         HA     23 LEU  HG      5.50                
         HA     23 LEU  QD1     6.50                
         HA     29 VAL  QG1     6.50                
         HA     30 TYR  HB3     5.50                
         HA     31 ASP- HA      3.20                
         HA     31 ASP- HB3     5.50                
         HA     32 LEU  HN      3.50                
         HA     32 LEU  QD2     6.50                
         HA     76 ILE  QD1     6.50                
         HB2    22 TRP  HE3     4.30                
         HB2    23 LEU  HN      4.20                
         HB2    29 VAL  QG1     6.50                
         HB3    22 TRP  HD1     5.20                
         HB3    22 TRP  HE3     4.20                
         HB3    23 LEU  HN      3.40                
         HB3    23 LEU  HG      5.50                
         HB3    29 VAL  QG1     5.70                
         HD1    22 TRP  HE1     3.40                
         HD1    23 LEU  HN      5.50                
         HD1    31 ASP- HA      4.10                
         HD1    31 ASP- HB2     5.50                
         HD1    31 ASP- HB3     5.40                
         HD1    32 LEU  HN      5.50                
         HD1    76 ILE  QG2     6.50                
         HD1    76 ILE  HG13    5.50                
         HD1    76 ILE  QD1     6.50                
         HE3    22 TRP  HZ3     3.90                
         HE3    29 VAL  QG1     4.30                
         HE3    29 VAL  QG2     6.50                
         HE3    76 ILE  QD1     6.10                
         HE1    22 TRP  HZ2     4.00                
         HE1    22 TRP  HH2     5.50                
         HE1    31 ASP- HA      5.50                
         HE1    31 ASP- HB2     5.50                
         HE1    31 ASP- HB3     4.90                
         HE1    76 ILE  QG2     6.30                
         HE1    76 ILE  QD1     5.10                
         HZ3    22 TRP  HZ2     5.10                
         HZ3    22 TRP  HH2     3.50                
         HZ3    29 VAL  QG1     6.10                
         HZ3    29 VAL  QG2     6.50                
         HZ3    76 ILE  QD1     6.50                
         HZ2    22 TRP  HH2     3.40                
         HZ2    29 VAL  QG1     6.50                
         HZ2    76 ILE  QD1     4.70                
         HH2    29 VAL  QG1     6.50                
         HH2    76 ILE  QD1     5.40                
 23 LEU  
         HN     23 LEU  HA      3.70                
         HN     23 LEU  QB      5.50                
         HN     23 LEU  HG      4.00                
         HN     24 ILE  HN      5.00                
         HN     29 VAL  HA      5.50                
         HN     29 VAL  QG1     5.90                
         HN     30 TYR  HN      3.70                
         HN     30 TYR  HB3     4.90                
         HN     30 TYR  CG      7.50                
         HN     32 LEU  HG      5.50                
         HN     32 LEU  QD2     6.50                
         HA     23 LEU  QB      5.60                
         HA     23 LEU  HG      4.80                
         HA     23 LEU  QD1     6.30                
         HA     23 LEU  QD2     6.50                
         HA     24 ILE  HN      3.20                
         HA     51 GLY  HN      4.40                
         HA     52 GLY  HN      3.60                
         QB     23 LEU  QD1     6.40                
         QB     23 LEU  QD2     4.90                
         QB     24 ILE  HN      5.00                
         QB     50 ALA  HA      6.50                
         QB     51 GLY  HN      6.50                
         QB     52 GLY  HN      6.50                
         QB     54 ALA  QB      7.50                
         HG     23 LEU  QD1     4.10                
         HG     23 LEU  QD2     3.60                
         HG     24 ILE  HN      5.50                
         QD1    24 ILE  HN      5.30                
         QD1    25 LEU  HN      6.40                
         QD1    25 LEU  HB3     6.50                
         QD1    25 LEU  HG      4.60                
         QD1    25 LEU  QD1     6.20                
         QD1    25 LEU  QD2     7.50                
         QD1    30 TYR  HN      5.70                
         QD1    30 TYR  HB2     4.80                
         QD1    30 TYR  HB3     5.80                
         QD1    30 TYR  CG      7.30                
         QD1    30 TYR  CZ      8.50                
         QD1    32 LEU  QD1     5.10                
         QD1    32 LEU  QD2     6.70                
         QD1    46 LEU  HA      6.50                
         QD1    50 ALA  HA      6.50                
         QD1    54 ALA  HN      6.50                
         QD1    54 ALA  QB      5.10                
         QD1    63 HEM  HV2A    5.30                
         QD1    63 HEM  QM3     5.10                
         QD2    24 ILE  HN      5.70                
         QD2    25 LEU  QD1     7.40                
         QD2    32 LEU  HB3     6.50                
         QD2    32 LEU  HG      6.50                
         QD2    32 LEU  QD1     6.20                
         QD2    32 LEU  QD2     7.50                
         QD2    46 LEU  HA      5.50                
         QD2    49 GLN  HN      6.20                
         QD2    49 GLN  HB2     4.00                
         QD2    49 GLN  HB3     6.40                
         QD2    49 GLN  HG2     6.50                
         QD2    49 GLN  HG3     5.10                
         QD2    50 ALA  HN      6.50                
         QD2    50 ALA  HA      5.30                
         QD2    50 ALA  QB      7.40                
         QD2    54 ALA  HN      6.50                
         QD2    54 ALA  QB      5.10                
         QD2    63 HEM  QM3     3.90                
 24 ILE  
         HN     24 ILE  HA      3.70                
         HN     24 ILE  HB      3.40                
         HN     24 ILE  QG2     4.60                
         HN     24 ILE  HG12    3.60                
         HN     24 ILE  HG13    4.20                
         HN     25 LEU  QD2     6.20                
         HN     52 GLY  HN      5.50                
         HN     53 ASP- HA      3.30                
         HN     53 ASP- HB3     5.50                
         HN     54 ALA  HN      3.60                
         HN     54 ALA  QB      5.50                
         HA     24 ILE  HG12    3.90                
         HA     24 ILE  HG13    4.80                
         HA     25 LEU  HN      3.10                
         HA     29 VAL  HA      4.70                
         HA     29 VAL  QG1     6.50                
         HA     29 VAL  QG2     6.50                
         HA     30 TYR  HN      3.60                
         HA     30 TYR  CG      7.50                
         HA     30 TYR  CZ      7.50                
         HB     24 ILE  HG12    3.50                
         HB     24 ILE  HG13    4.30                
         HB     53 ASP- HA      3.70                
         HB     53 ASP- QB      6.50                
         QG2    24 ILE  HG13    3.70                
         HG12   25 LEU  HN      4.80                
         HG12   29 VAL  HA      5.50                
         HG13   53 ASP- HN      5.50                
         HG13   53 ASP- HA      5.50                
 25 LEU  
         HN     25 LEU  HA      3.80                
         HN     25 LEU  HB2     3.90                
         HN     25 LEU  HB3     4.30                
         HN     25 LEU  HG      4.40                
         HN     25 LEU  QD1     4.70                
         HN     25 LEU  QD2     5.00                
         HN     26 HIS  HN      5.50                
         HN     29 VAL  HA      5.50                
         HN     30 TYR  CG      7.50                
         HN     30 TYR  CZ      7.40                
         HA     25 LEU  HB2     3.80                
         HA     25 LEU  HB3     3.70                
         HA     25 LEU  HG      5.30                
         HA     25 LEU  QD1     5.70                
         HA     25 LEU  QD2     4.20                
         HA     26 HIS  HN      3.10                
         HA     55 THR  HA      4.00                
         HA     55 THR  QG2     6.50                
         HB2    25 LEU  HG      3.70                
         HB2    25 LEU  QD1     3.30                
         HB2    25 LEU  QD2     3.90                
         HB2    26 HIS  HN      5.10                
         HB2    26 HIS  HD2     5.50                
         HB2    30 TYR  CG      6.80                
         HB2    30 TYR  CZ      5.90                
         HB3    25 LEU  HG      3.90                
         HB3    25 LEU  QD1     3.70                
         HB3    25 LEU  QD2     3.80                
         HB3    26 HIS  HN      4.20                
         HB3    26 HIS  HD2     5.20                
         HB3    30 TYR  HN      5.50                
         HB3    30 TYR  CG      7.50                
         HB3    30 TYR  CZ      6.90                
         HB3    54 ALA  HN      5.50                
         HB3    55 THR  HN      5.50                
         HB3    55 THR  HA      5.50                
         HG     25 LEU  QD1     3.40                
         HG     25 LEU  QD2     3.60                
         HG     26 HIS  HN      5.50                
         HG     30 TYR  HB2     5.50                
         HG     30 TYR  CG      7.50                
         HG     30 TYR  CZ      7.50                
         HG     54 ALA  HN      5.50                
         HG     54 ALA  QB      5.40                
         HG     55 THR  HN      5.50                
         HG     55 THR  HA      5.50                
         QD1    26 HIS  HN      6.50                
         QD1    26 HIS  HD2     5.90                
         QD1    30 TYR  HN      6.50                
         QD1    30 TYR  HB3     5.50                
         QD1    30 TYR  CG      7.30                
         QD1    30 TYR  CZ      6.80                
         QD1    32 LEU  QD2     7.50                
         QD1    54 ALA  HN      6.40                
         QD1    54 ALA  QB      6.70                
         QD1    55 THR  HN      6.50                
         QD1    55 THR  HA      5.20                
         QD1    58 PHE  HN      6.50                
         QD1    58 PHE  HB3     6.50                
         QD1    63 HEM  HV2A    5.20                
         QD1    63 HEM  HV2T    4.60                
         QD1    63 HEM  HV2C    4.90                
         QD1    63 HEM  QM3     6.30                
         QD1    71 SER  HA      6.50                
         QD1    71 SER  QB      7.50                
         QD2    26 HIS  HN      5.30                
         QD2    26 HIS  QB      7.50                
         QD2    26 HIS  HD2     6.50                
         QD2    30 TYR  CZ      8.50                
         QD2    54 ALA  HN      4.60                
         QD2    54 ALA  QB      5.10                
         QD2    55 THR  HN      4.70                
         QD2    55 THR  HA      3.40                
         QD2    55 THR  QG2     7.00                
         QD2    58 PHE  HN      4.80                
         QD2    58 PHE  HB2     5.00                
         QD2    58 PHE  HB3     4.10                
         QD2    59 GLU- HN      6.40                
         QD2    63 HEM  HV2A    6.50                
 26 HIS  
         HN     26 HIS  HA      3.30                
         HN     26 HIS  QB      5.40                
         HN     26 HIS  HD2     5.50                
         HN     27 HIS  HN      4.50                
         HN     28 LYS+ HN      5.50                
         HN     55 THR  HN      4.40                
         HN     55 THR  HA      4.90                
         HN     55 THR  QG2     4.30                
         HA     26 HIS  QB      4.80                
         HA     26 HIS  HD2     5.50                
         HA     27 HIS  HN      3.50                
         HA     55 THR  QG2     4.70                
         QB     26 HIS  HD2     5.80                
         QB     27 HIS  HN      6.10                
         QB     28 LYS+ HN      6.50                
         QB     30 TYR  CZ      8.50                
         QB     55 THR  QG2     6.30                
         HD2    55 THR  QG2     6.50                
 27 HIS  
         HN     27 HIS  HA      3.50                
         HN     27 HIS  HB2     5.10                
         HN     27 HIS  HB3     4.30                
         HN     28 LYS+ HN      3.70                
         HA     27 HIS  HB2     3.20                
         HA     27 HIS  HB3     3.70                
         HA     28 LYS+ HN      4.00                
         HA     79 LEU  HN      5.00                
         HB3    27 HIS  HD2     4.90                
         HB3    28 LYS+ QD      5.60                
         HB3    79 LEU  HG      5.50                
         HB3    79 LEU  QD2     6.50                
         HD2    27 HIS  HE1     5.30                
 28 LYS+ 
         HN     28 LYS+ HA      3.30                
         HN     28 LYS+ QB      4.30                
         HN     28 LYS+ QG      4.80                
         HN     28 LYS+ QD      6.50                
         HN     30 TYR  CZ      7.50                
         HA     28 LYS+ QB      5.60                
         HA     28 LYS+ QG      4.60                
         HA     29 VAL  HN      4.10                
         HA     29 VAL  QG2     5.90                
         HA     78 GLU- HN      5.50                
         HA     78 GLU- HA      5.50                
         HA     78 GLU- QG      6.50                
         HA     79 LEU  HN      3.80                
         QB     28 LYS+ QG      5.80                
         QB     30 TYR  CG      8.50                
         QB     30 TYR  CZ      8.20                
         QB     75 ILE  QD1     7.50                
         QG     28 LYS+ QD      7.40                
 29 VAL  
         HN     29 VAL  HA      4.00                
         HN     29 VAL  HB      3.50                
         HN     29 VAL  QG1     4.10                
         HN     29 VAL  QG2     3.80                
         HN     30 TYR  CG      7.50                
         HN     75 ILE  QG2     5.60                
         HN     75 ILE  HG13    5.50                
         HN     77 GLY  HN      3.80                
         HN     78 GLU- HA      4.00                
         HA     29 VAL  HB      4.50                
         HA     29 VAL  QG1     4.50                
         HA     29 VAL  QG2     3.90                
         HA     30 TYR  HN      2.90                
         HA     30 TYR  CG      7.40                
         HA     30 TYR  CZ      7.50                
         HA     75 ILE  HA      5.50                
         HB     29 VAL  QG1     3.50                
         HB     29 VAL  QG2     3.40                
         HB     30 TYR  HN      4.60                
         HB     76 ILE  HN      5.50                
         HB     76 ILE  HG12    5.50                
         HB     76 ILE  QD1     5.50                
         HB     77 GLY  HN      5.50                
         QG1    30 TYR  HN      4.30                
         QG1    76 ILE  HN      6.50                
         QG1    76 ILE  QD1     5.60                
         QG1    77 GLY  HN      6.00                
         QG2    30 TYR  HN      5.40                
         QG2    76 ILE  HG12    6.50                
         QG2    76 ILE  QD1     7.30                
         QG2    77 GLY  HN      6.50                
         QG2    78 GLU- HN      5.70                
         QG2    78 GLU- HA      5.10                
 30 TYR  
         HN     30 TYR  HA      3.80                
         HN     30 TYR  HB2     3.40                
         HN     30 TYR  HB3     3.30                
         HN     30 TYR  CG      6.00                
         HN     30 TYR  CZ      6.50                
         HN     76 ILE  HG13    5.50                
         HN     76 ILE  QD1     6.50                
         HA     30 TYR  HB2     3.30                
         HA     30 TYR  HB3     4.20                
         HA     30 TYR  CG      5.70                
         HA     30 TYR  CZ      5.90                
         HA     31 ASP- HN      2.90                
         HA     75 ILE  HA      3.10                
         HA     76 ILE  HN      3.80                
         HA     76 ILE  QG2     6.50                
         HA     76 ILE  HG13    5.50                
         HB2    30 TYR  CG      5.80                
         HB2    30 TYR  CZ      7.50                
         HB2    32 LEU  QD2     4.40                
         HB3    30 TYR  CG      5.70                
         HB3    32 LEU  HG      4.90                
         HB3    32 LEU  QD1     5.40                
         HB3    32 LEU  QD2     4.70                
         CG     30 TYR  CZ      7.70                
         CG     32 LEU  QD2     7.20                
         CG     71 SER  HA      7.50                
         CG     71 SER  QB      8.50                
         CG     74 PHE  HN      7.00                
         CG     74 PHE  HA      6.90                
         CG     74 PHE  HB2     6.40                
         CG     74 PHE  CG      9.50                
         CG     75 ILE  HA      7.50                
         CG     75 ILE  HG13    7.50                
         CG     75 ILE  QD1     8.50                
         CZ     32 LEU  QD1     8.50                
         CZ     71 SER  HA      7.50                
         CZ     71 SER  QB      8.50                
         CZ     72 LYS+ QG      8.50                
         CZ     74 PHE  HA      7.50                
         CZ     74 PHE  HB2     7.50                
         CZ     75 ILE  HA      7.50                
         CZ     75 ILE  QG2     8.50                
         CZ     75 ILE  HG13    7.50                
         CZ     75 ILE  QD1     7.60                
 31 ASP- 
         HN     31 ASP- HA      4.00                
         HN     31 ASP- HB2     3.30                
         HN     31 ASP- HB3     3.20                
         HN     74 PHE  HA      3.50                
         HN     74 PHE  HB2     4.60                
         HN     74 PHE  CG      7.50                
         HN     75 ILE  HA      4.40                
         HN     76 ILE  QG2     4.70                
         HN     76 ILE  HG12    5.50                
         HN     76 ILE  HG13    5.50                
         HN     76 ILE  QD1     6.50                
         HA     31 ASP- HB2     4.00                
         HA     31 ASP- HB3     4.20                
         HA     32 LEU  HN      3.90                
         HA     33 THR  HN      3.70                
         HA     76 ILE  QG2     6.10                
         HA     76 ILE  HG12    5.50                
         HA     76 ILE  QD1     6.50                
         HB2    74 PHE  CG      7.50                
         HB2    76 ILE  HB      5.50                
         HB2    76 ILE  QG2     4.80                
         HB2    76 ILE  HG13    5.00                
         HB2    76 ILE  QD1     5.40                
         HB3    32 LEU  HN      4.40                
         HB3    74 PHE  CG      7.50                
 32 LEU  
         HN     32 LEU  HA      3.90                
         HN     32 LEU  HB2     3.90                
         HN     32 LEU  HB3     4.00                
         HN     32 LEU  HG      4.10                
         HN     32 LEU  QD1     5.10                
         HN     32 LEU  QD2     4.60                
         HN     33 THR  HN      3.30                
         HN     33 THR  HA      5.50                
         HN     34 LYS+ HN      5.50                
         HA     32 LEU  HB2     3.60                
         HA     32 LEU  HB3     4.40                
         HA     32 LEU  HG      4.40                
         HA     32 LEU  QD1     5.70                
         HA     32 LEU  QD2     3.80                
         HA     33 THR  HN      4.00                
         HA     35 PHE  HN      3.30                
         HA     35 PHE  HB2     4.10                
         HA     35 PHE  HB3     4.90                
         HA     35 PHE  CG      7.50                
         HA     36 LEU  HN      5.10                
         HA     36 LEU  QD2     6.50                
         HA     74 PHE  CG      7.50                
         HB2    32 LEU  HG      2.80                
         HB2    32 LEU  QD1     3.70                
         HB2    32 LEU  QD2     4.20                
         HB2    35 PHE  HB3     5.10                
         HB2    35 PHE  CG      7.50                
         HB2    36 LEU  HN      5.50                
         HB2    36 LEU  QD2     4.90                
         HB3    32 LEU  QD1     4.00                
         HB3    32 LEU  QD2     4.30                
         HB3    35 PHE  HB2     5.30                
         HB3    35 PHE  HB3     5.50                
         HB3    35 PHE  CG      7.50                
         HG     32 LEU  QD1     3.20                
         HG     32 LEU  QD2     3.80                
         HG     33 THR  HN      5.50                
         HG     35 PHE  CG      7.50                
         HG     46 LEU  QB      6.50                
         HG     74 PHE  CG      7.50                
         HG     74 PHE  CZ      7.30                
         QD1    33 THR  HN      6.50                
         QD1    35 PHE  CG      7.10                
         QD1    46 LEU  QB      6.80                
         QD1    46 LEU  HG      6.50                
         QD1    46 LEU  QD2     5.70                
         QD1    63 HEM  HV2T    5.30                
         QD1    63 HEM  HV2C    6.50                
         QD1    74 PHE  CG      8.50                
         QD2    35 PHE  HB3     5.10                
         QD2    35 PHE  CG      6.70                
         QD2    46 LEU  QB      7.50                
         QD2    63 HEM  HV2A    5.20                
         QD2    63 HEM  HV2T    4.60                
         QD2    63 HEM  HV2C    6.20                
         QD2    74 PHE  HN      6.50                
         QD2    74 PHE  HA      4.90                
         QD2    74 PHE  HB2     4.00                
         QD2    74 PHE  CG      6.60                
         QD2    74 PHE  CZ      8.50                
         QD2    74 PHE  HZ      6.50                
 33 THR  
         HN     33 THR  HA      3.50                
         HN     33 THR  HB      3.60                
         HN     33 THR  QG2     4.20                
         HN     34 LYS+ HN      3.30                
         HA     33 THR  HB      3.90                
         HA     33 THR  QG2     3.40                
         HA     36 LEU  HN      4.80                
         HA     36 LEU  HB2     3.60                
         HA     36 LEU  HG      5.40                
         HA     36 LEU  QD1     4.80                
         HA     36 LEU  QD2     4.70                
         HB     33 THR  QG2     3.50                
         HB     34 LYS+ HN      4.70                
         HB     34 LYS+ QG      6.50                
         QG2    34 LYS+ HN      4.10                
         QG2    34 LYS+ HA      5.70                
 34 LYS+ 
         HN     34 LYS+ HA      3.50                
         HN     34 LYS+ HB2     3.40                
         HN     34 LYS+ HB3     3.30                
         HN     34 LYS+ QG      5.50                
         HN     34 LYS+ QD      6.50                
         HN     35 PHE  HN      3.10                
         HN     36 LEU  HN      4.10                
         HA     34 LYS+ HB2     3.30                
         HA     34 LYS+ HB3     3.60                
         HA     35 PHE  HN      3.60                
         HA     36 LEU  HN      4.80                
         HB2    34 LYS+ QG      4.60                
         HB2    35 PHE  HN      5.40                
         HB3    74 PHE  CG      7.50                
         HB3    74 PHE  CZ      7.50                
         QG     34 LYS+ QD      6.00                
         QD     74 PHE  CZ      8.50                
 35 PHE  
         HN     35 PHE  HA      3.40                
         HN     35 PHE  HB2     3.30                
         HN     35 PHE  HB3     3.70                
         HN     35 PHE  CG      6.40                
         HN     36 LEU  HN      3.20                
         HN     36 LEU  HB3     5.50                
         HA     35 PHE  HB2     3.30                
         HA     35 PHE  HB3     3.70                
         HA     35 PHE  CG      4.60                
         HA     36 LEU  HN      3.90                
         HA     37 GLU- HN      5.50                
         HA     38 GLU- HN      3.90                
         HA     38 GLU- HB2     5.00                
         HA     38 GLU- HB3     3.30                
         HA     38 GLU- HG2     5.50                
         HA     38 GLU- HG3     5.00                
         HA     39 HIS  HN      5.50                
         HA     74 PHE  CZ      7.50                
         HA     74 PHE  HZ      5.50                
         HB2    35 PHE  CG      5.80                
         HB2    36 LEU  HN      4.00                
         HB2    74 PHE  CZ      7.50                
         HB2    74 PHE  HZ      5.00                
         HB3    35 PHE  CG      5.50                
         HB3    35 PHE  CZ      6.60                
         HB3    36 LEU  HN      3.80                
         HB3    74 PHE  CZ      7.50                
         HB3    74 PHE  HZ      5.50                
         CG     35 PHE  CZ      9.50                
         CG     35 PHE  HZ      7.00                
         CG     36 LEU  HN      7.50                
         CG     38 GLU- HB2     7.50                
         CG     38 GLU- HB3     6.90                
         CG     38 GLU- HG2     7.50                
         CG     39 HIS  HN      7.50                
         CG     46 LEU  QB      8.50                
         CG     46 LEU  QD2     8.50                
         CG     74 PHE  CZ      9.50                
         CG     74 PHE  HZ      6.70                
         CZ     35 PHE  HZ      5.80                
         CZ     36 LEU  HN      7.40                
         CZ     39 HIS  HN      7.50                
         CZ     39 HIS  HA      7.50                
         CZ     40 PRO  HG2     7.50                
         CZ     70 LEU  QD2     8.50                
         HZ     70 LEU  QD2     5.30                
 36 LEU  
         HN     36 LEU  HA      3.60                
         HN     36 LEU  HB2     2.90                
         HN     36 LEU  HB3     3.60                
         HN     36 LEU  HG      4.30                
         HN     36 LEU  QD1     4.60                
         HN     36 LEU  QD2     4.70                
         HN     37 GLU- HN      3.50                
         HN     38 GLU- HN      4.20                
         HA     36 LEU  HB2     3.60                
         HA     36 LEU  HB3     3.90                
         HA     36 LEU  HG      4.00                
         HA     36 LEU  QD1     4.70                
         HA     36 LEU  QD2     4.10                
         HA     37 GLU- HN      4.10                
         HA     39 HIS  HN      4.80                
         HA     39 HIS  HB3     5.50                
         HA     43 GLU- HA      4.10                
         HA     43 GLU- HB2     5.50                
         HA     46 LEU  QB      6.50                
         HB2    36 LEU  HG      4.30                
         HB2    36 LEU  QD1     3.70                
         HB2    36 LEU  QD2     3.80                
         HB2    37 GLU- HN      4.20                
         HB3    36 LEU  HG      3.80                
         HB3    36 LEU  QD1     3.70                
         HB3    36 LEU  QD2     4.10                
         HB3    37 GLU- HN      3.30                
         HB3    43 GLU- HA      5.50                
         HB3    43 GLU- HB2     5.50                
         HG     36 LEU  QD1     3.70                
         HG     36 LEU  QD2     3.80                
         HG     37 GLU- HN      5.40                
         HG     43 GLU- HA      5.50                
         HG     43 GLU- HB2     5.50                
         QD1    37 GLU- HN      6.30                
         QD1    43 GLU- HA      6.50                
         QD1    43 GLU- HB2     4.70                
         QD1    47 ARG+ QD      7.50                
         QD2    43 GLU- HA      5.20                
         QD2    43 GLU- HB2     4.40                
         QD2    46 LEU  HN      6.50                
         QD2    46 LEU  QB      5.10                
         QD2    46 LEU  QD2     7.50                
         QD2    47 ARG+ HN      6.00                
         QD2    47 ARG+ HA      6.50                
         QD2    47 ARG+ QD      7.50                
 37 GLU- 
         HN     37 GLU- HA      3.30                
         HN     37 GLU- HB2     3.50                
         HN     37 GLU- HB3     3.70                
         HN     37 GLU- QG      5.60                
         HN     38 GLU- HN      3.10                
         HN     39 HIS  HN      5.10                
         HA     37 GLU- HB2     3.60                
         HA     37 GLU- HB3     3.20                
         HA     37 GLU- QG      5.30                
         HA     39 HIS  HN      5.20                
         HA     43 GLU- HA      5.50                
         HA     43 GLU- HB3     5.50                
         HB2    37 GLU- QG      4.90                
         HB2    38 GLU- HN      4.30                
 38 GLU- 
         HN     38 GLU- HA      3.40                
         HN     38 GLU- HB2     3.60                
         HN     38 GLU- HB3     3.50                
         HN     38 GLU- HG2     3.70                
         HN     38 GLU- HG3     5.10                
         HN     39 HIS  HN      3.00                
         HN     39 HIS  HB3     4.90                
         HA     38 GLU- HB3     4.10                
         HA     38 GLU- HG3     3.90                
         HA     39 HIS  HN      3.40                
         HB2    39 HIS  HN      4.70                
         HB3    38 GLU- HG2     4.20                
         HB3    38 GLU- HG3     3.30                
 39 HIS  
         HN     39 HIS  HA      4.30                
         HN     39 HIS  HB2     3.40                
         HN     39 HIS  HB3     3.50                
         HN     39 HIS  HD1     5.00                
         HN     42 GLY  HN      5.50                
         HA     40 PRO  HG2     5.50                
         HB2    39 HIS  HD1     5.00                
         HB2    39 HIS  HD1     5.50                
         HB3    39 HIS  HD1     5.00                
         HB3    39 HIS  HD1     4.80                
         HB3    42 GLY  HN      5.50                
         HD1    42 GLY  HN      5.00                
         HD1    42 GLY  HN      5.50                
         HD1    42 GLY  HA2     5.00                
         HD1    45 VAL  QG1     6.50                
         HD1    46 LEU  QB      6.50                
         NE2    63 HEM  FE      2.10  3.00E+00                 
 40 PRO  
         HA     40 PRO  HB2     3.80                
         HA     40 PRO  HB3     3.30                
         HA     40 PRO  HG2     4.20                
         HA     40 PRO  HG3     5.10                
         HA     42 GLY  HN      5.00                
         HB2    40 PRO  HG2     4.30                
         HB2    63 HEM  HAP71   5.50                
         HB2    63 HEM  HAP72   5.10                
         HB2    63 HEM  HGM     4.70                
         HB3    40 PRO  HG2     3.30                
         HB3    40 PRO  HG3     4.30                
         HB3    63 HEM  HAP71   5.20                
         HB3    63 HEM  QM8     6.00                
         HG2    63 HEM  HAP71   5.50                
         HG2    63 HEM  QM8     4.70                
         HG3    63 HEM  HAP71   5.50                
         HG3    63 HEM  HAP72   5.50                
         HG3    63 HEM  QM8     5.70                
 41 GLY  
         HA1    42 GLY  HN      3.70                
 42 GLY  
         HN     42 GLY  HA1     3.40                
         HN     42 GLY  HA2     3.10                
         HN     43 GLU- HN      5.50                
         HA1    43 GLU- HN      3.10                
         HA1    43 GLU- HA      5.20                
         HA1    43 GLU- HB2     5.50                
         HA1    44 GLU- HN      4.10                
         HA1    45 VAL  HN      5.50                
         HA2    43 GLU- HN      3.20                
         HA2    43 GLU- HB2     5.50                
         HA2    43 GLU- HB3     4.50                
         HA2    44 GLU- HN      4.70                
         HA2    45 VAL  HN      5.50                
 43 GLU- 
         HN     43 GLU- HA      3.40                
         HN     43 GLU- HB2     3.40                
         HN     43 GLU- HB3     3.70                
         HN     44 GLU- HN      3.40                
         HN     44 GLU- HB3     5.50                
         HN     45 VAL  HN      5.50                
         HN     46 LEU  QB      6.50                
         HA     43 GLU- HB2     3.00                
         HA     43 GLU- HB3     3.10                
         HA     44 GLU- HN      4.10                
         HA     45 VAL  HN      5.50                
         HA     45 VAL  QG1     6.50                
         HA     46 LEU  HN      4.30                
         HA     46 LEU  QB      4.90                
         HA     46 LEU  QD2     5.90                
         HA     47 ARG+ HN      5.40                
         HB2    44 GLU- HN      4.20                
         HB2    46 LEU  HN      5.50                
         HB3    44 GLU- HN      3.90                
 44 GLU- 
         HN     44 GLU- HA      3.70                
         HN     44 GLU- HB2     3.60                
         HN     44 GLU- HB3     3.00                
         HN     44 GLU- QG      6.30                
         HN     45 VAL  HN      3.50                
         HN     46 LEU  HN      5.50                
         HN     46 LEU  QB      6.50                
         HN     46 LEU  QD2     6.50                
         HN     47 ARG+ HN      5.50                
         HN     47 ARG+ HB3     5.50                
         HA     44 GLU- HB2     3.30                
         HA     44 GLU- HB3     3.30                
         HA     44 GLU- QG      5.80                
         HA     45 VAL  HN      4.80                
         HA     47 ARG+ HN      4.20                
         HA     47 ARG+ HB2     5.50                
         HA     47 ARG+ HB3     4.00                
         HA     48 GLU- HG2     5.50                
         HB2    45 VAL  HN      4.00                
         HB2    47 ARG+ HN      5.30                
         HB3    45 VAL  HN      3.70                
         QG     45 VAL  HN      6.50                
 45 VAL  
         HN     45 VAL  HA      3.50                
         HN     45 VAL  HB      3.50                
         HN     45 VAL  QG1     3.90                
         HN     45 VAL  QG2     4.10                
         HN     46 LEU  HN      3.50                
         HN     47 ARG+ HN      5.40                
         HA     45 VAL  HB      2.80                
         HA     45 VAL  QG1     3.30                
         HA     45 VAL  QG2     4.00                
         HA     46 LEU  HN      4.00                
         HA     47 ARG+ HN      4.10                
         HA     48 GLU- HN      4.30                
         HA     48 GLU- HB2     3.50                
         HA     48 GLU- HB3     4.10                
         HB     45 VAL  QG1     3.00                
         HB     46 LEU  HN      5.10                
         HB     63 HEM  HV4A    5.50                
         QG1    46 LEU  HN      6.00                
         QG1    63 HEM  QM5     3.90                
         QG2    46 LEU  HN      5.60                
         QG2    63 HEM  HV4A    6.20                
         QG2    63 HEM  HV4C    6.50                
 46 LEU  
         HN     46 LEU  HA      3.60                
         HN     46 LEU  QB      4.10                
         HN     46 LEU  QD2     3.90                
         HN     47 ARG+ HN      3.00                
         HN     48 GLU- HN      4.30                
         HA     46 LEU  QB      4.70                
         HA     46 LEU  QD2     3.60                
         HA     47 ARG+ HN      3.90                
         HA     47 ARG+ HA      4.80                
         HA     48 GLU- HN      5.50                
         HA     49 GLN  HN      4.20                
         HA     50 ALA  HN      5.50                
         QB     46 LEU  HG      5.70                
         QB     46 LEU  QD1     7.50                
         QB     46 LEU  QD2     4.20                
         QB     47 ARG+ HN      4.70                
         QB     47 ARG+ HA      6.50                
         HG     46 LEU  QD2     5.20                
         QD2    47 ARG+ HN      5.80                
         QD2    63 HEM  QM3     4.80                
         QD2    63 HEM  HV4T    6.50                
 47 ARG+ 
         HN     47 ARG+ HA      2.90                
         HN     47 ARG+ HB2     3.70                
         HN     47 ARG+ HB3     3.50                
         HN     47 ARG+ QD      6.50                
         HN     48 GLU- HN      3.20                
         HA     47 ARG+ HB2     3.80                
         HA     47 ARG+ HB3     3.10                
         HA     47 ARG+ QD      6.00                
         HA     48 GLU- HN      4.00                
         HA     49 GLN  HN      5.00                
         HA     50 ALA  HN      3.80                
         HA     50 ALA  QB      3.80                
         HB2    47 ARG+ QD      6.10                
         HB2    48 GLU- HN      4.30                
         HB3    47 ARG+ QD      5.60                
 48 GLU- 
         HN     48 GLU- HA      3.30                
         HN     48 GLU- HB2     2.80                
         HN     48 GLU- HB3     3.40                
         HN     48 GLU- HG2     4.10                
         HN     48 GLU- HG3     4.30                
         HN     49 GLN  HN      3.50                
         HN     49 GLN  HA      5.50                
         HN     49 GLN  HB2     4.80                
         HN     50 ALA  HN      4.50                
         HA     48 GLU- HB2     3.20                
         HA     48 GLU- HB3     3.10                
         HA     48 GLU- HG2     4.40                
         HA     48 GLU- HG3     4.00                
         HA     49 GLN  HN      4.20                
         HA     50 ALA  HN      4.90                
         HB2    49 GLN  HN      3.70                
         HB3    48 GLU- HG2     3.50                
         HB3    48 GLU- HG3     3.20                
         HB3    49 GLN  HN      4.00                
         HB3    49 GLN  HE21    5.50                
         HB3    49 GLN  HE22    5.50                
         HG2    49 GLN  HN      5.50                
         HG3    49 GLN  HN      5.50                
 49 GLN  
         HN     49 GLN  HA      3.50                
         HN     49 GLN  HB2     3.10                
         HN     49 GLN  HB3     3.90                
         HN     49 GLN  HG2     4.10                
         HN     49 GLN  HG3     3.70                
         HN     50 ALA  HN      2.80                
         HN     50 ALA  QB      4.60                
         HA     49 GLN  HB2     3.50                
         HA     49 GLN  HB3     3.30                
         HA     49 GLN  HG2     3.90                
         HA     49 GLN  HG3     4.00                
         HA     49 GLN  HE21    5.50                
         HA     49 GLN  HE22    5.50                
         HA     50 ALA  HN      3.60                
         HA     54 ALA  QB      5.90                
         HB2    49 GLN  HG2     3.50                
         HB2    49 GLN  HG3     2.90                
         HB2    50 ALA  HN      3.60                
         HB2    54 ALA  QB      4.70                
         HB2    63 HEM  HV4T    4.50                
         HB3    49 GLN  HG2     3.30                
         HB3    49 GLN  HG3     3.70                
         HB3    49 GLN  HE21    5.30                
         HB3    49 GLN  HE22    4.70                
         HB3    50 ALA  HN      4.60                
         HB3    54 ALA  QB      4.20                
         HB3    63 HEM  HV4T    5.50                
         HG2    49 GLN  HE21    4.70                
         HG2    49 GLN  HE22    3.70                
         HG2    50 ALA  HN      5.50                
         HG2    54 ALA  QB      5.40                
         HG3    50 ALA  HN      5.50                
         HG3    54 ALA  QB      4.70                
         HG3    63 HEM  HV4A    5.50                
         HE21   54 ALA  QB      6.50                
         HE21   57 ASN  HD21    5.50                
         HE22   57 ASN  HB3     5.50                
         HE22   57 ASN  HD22    5.50                
 50 ALA  
         HN     50 ALA  HA      3.60                
         HN     50 ALA  QB      3.00                
         HN     51 GLY  HN      4.80                
         HA     50 ALA  QB      3.40                
         HA     51 GLY  HN      3.30                
         HA     51 GLY  HA1     5.20                
         HA     52 GLY  HN      4.30                
         QB     51 GLY  HN      3.50                
         QB     51 GLY  HA2     5.20                
         QB     52 GLY  HN      5.20                
 51 GLY  
         HN     51 GLY  HA1     3.90                
         HN     51 GLY  HA2     3.40                
         HN     52 GLY  HN      3.50                
         HA1    52 GLY  HN      4.30                
         HA2    52 GLY  HN      4.00                
 52 GLY  
         HN     52 GLY  HA1     3.50                
         HN     52 GLY  HA2     3.40                
         HN     53 ASP- HN      4.30                
         HN     54 ALA  QB      5.80                
         HA1    53 ASP- HN      3.20                
         HA2    53 ASP- HN      3.10                
 53 ASP- 
         HN     53 ASP- HA      3.80                
         HN     53 ASP- HB2     3.10                
         HN     53 ASP- HB3     3.30                
         HN     53 ASP- QB      4.70                
         HN     54 ALA  QB      6.50                
         HA     54 ALA  HN      4.10                
         HA     55 THR  HN      4.30                
         HB2    55 THR  HN      5.50                
         QB     54 ALA  HN      6.50                
         QB     54 ALA  QB      6.70                
 54 ALA  
         HN     54 ALA  HA      3.50                
         HN     54 ALA  QB      3.50                
         HN     55 THR  HN      3.30                
         HN     55 THR  HA      5.20                
         HN     55 THR  QG2     6.50                
         HA     54 ALA  QB      3.10                
         HA     55 THR  HN      3.40                
         HA     57 ASN  HN      3.90                
         QB     55 THR  HN      4.00                
         QB     55 THR  HA      5.20                
         QB     57 ASN  HN      5.00                
         QB     57 ASN  HB2     5.10                
         QB     57 ASN  HB3     6.30                
         QB     58 PHE  HN      4.60                
         QB     63 HEM  QM3     4.50                
         QB     63 HEM  HV4T    6.50                
 55 THR  
         HN     55 THR  HA      3.50                
         HN     55 THR  HB      3.30                
         HN     55 THR  QG2     4.20                
         HN     56 GLU- HN      3.80                
         HN     56 GLU- HG3     5.50                
         HA     55 THR  HB      3.90                
         HA     55 THR  QG2     3.60                
         HA     56 GLU- HN      4.20                
         HA     57 ASN  HN      4.80                
         HA     59 GLU- HN      4.00                
         HA     59 GLU- HG2     5.50                
         HB     55 THR  QG2     3.20                
         QG2    56 GLU- HN      4.90                
         QG2    56 GLU- HA      5.50                
         QG2    56 GLU- HB3     6.50                
         QG2    58 PHE  HN      6.50                
         QG2    58 PHE  HB3     6.50                
         QG2    59 GLU- HN      6.20                
         QG2    59 GLU- HB3     6.50                
         QG2    59 GLU- HG3     4.80                
 56 GLU- 
         HN     56 GLU- HA      3.90                
         HN     56 GLU- HB2     4.00                
         HN     56 GLU- HB3     4.20                
         HN     56 GLU- HG2     4.10                
         HN     56 GLU- HG3     3.50                
         HN     57 ASN  HN      3.30                
         HA     56 GLU- HB2     3.80                
         HA     56 GLU- HB3     3.80                
         HA     57 ASN  HN      3.90                
         HA     59 GLU- HN      4.00                
         HA     59 GLU- HB2     4.60                
         HA     59 GLU- HB3     3.80                
         HA     60 ASP- HN      5.00                
         HG2    57 ASN  HN      5.50                
         HG3    57 ASN  HN      4.90                
 57 ASN  
         HN     57 ASN  HA      3.20                
         HN     57 ASN  HB2     3.00                
         HN     57 ASN  HB3     3.50                
         HN     58 PHE  HN      3.50                
         HN     58 PHE  HB3     5.30                
         HN     59 GLU- HN      4.90                
         HN     60 ASP- HN      5.50                
         HA     57 ASN  HB2     3.40                
         HA     57 ASN  HB3     3.10                
         HA     57 ASN  HD21    4.30                
         HA     57 ASN  HD22    4.50                
         HA     58 PHE  HN      4.20                
         HA     59 GLU- HN      4.60                
         HA     60 ASP- HN      3.70                
         HA     60 ASP- HB2     4.90                
         HB2    57 ASN  HD21    4.10                
         HB2    57 ASN  HD22    5.50                
         HB2    58 PHE  HN      3.70                
         HB3    57 ASN  HD21    3.80                
         HB3    57 ASN  HD22    4.50                
         HB3    58 PHE  HN      3.70                
         HB3    63 HEM  QM3     6.50                
         HB3    63 HEM  HV4T    5.50                
 58 PHE  
         HN     58 PHE  HA      3.90                
         HN     58 PHE  HB2     3.50                
         HN     58 PHE  HB3     3.00                
         HN     59 GLU- HN      3.40                
         HN     60 ASP- HN      5.10                
         HA     61 VAL  HN      5.50                
         HA     63 HEM  HB2     5.50                
         HA     63 HEM  HB3     5.50                
         HA     63 HEM  HE1     5.00                
         HB2    59 GLU- HN      4.30                
 59 GLU- 
         HN     59 GLU- HA      3.50                
         HN     59 GLU- HB2     3.10                
         HN     59 GLU- HB3     3.40                
         HN     59 GLU- HG2     3.70                
         HN     59 GLU- HG3     4.10                
         HN     60 ASP- HN      3.30                
         HN     60 ASP- HB2     4.90                
         HA     59 GLU- HB2     2.90                
         HA     59 GLU- HB3     3.30                
         HA     59 GLU- HG2     4.30                
         HA     59 GLU- HG3     4.40                
         HA     60 ASP- HN      4.00                
         HA     60 ASP- HA      5.50                
         HA     61 VAL  HN      5.50                
         HA     62 GLY  HN      4.90                
         HA     62 GLY  HA1     5.50                
         HA     63 HEM  HN      5.50                
         HB2    59 GLU- HG2     3.80                
         HB2    59 GLU- HG3     3.80                
         HB2    60 ASP- HN      3.80                
         HB3    59 GLU- HG2     3.90                
         HB3    59 GLU- HG3     3.70                
         HB3    60 ASP- HN      3.80                
         HG2    60 ASP- HN      5.50                
 60 ASP- 
         HN     60 ASP- HA      3.30                
         HN     60 ASP- HB2     3.30                
         HN     60 ASP- HB3     3.50                
         HN     61 VAL  HN      3.30                
         HA     60 ASP- HB2     3.40                
         HA     60 ASP- HB3     3.50                
         HA     61 VAL  HN      4.00                
         HB2    61 VAL  HN      4.00                
         HB3    61 VAL  HN      4.10                
 61 VAL  
         HN     61 VAL  HA      3.40                
         HN     61 VAL  QQG     6.70                
         HN     62 GLY  HN      3.40                
         HN     62 GLY  HA1     5.50                
         HN     63 HEM  HN      5.50                
         HA     61 VAL  HB      4.70                
         HA     62 GLY  HN      4.00                
         HB     61 VAL  QQG     5.80                
         HB     62 GLY  HN      5.50                
         HB     63 HEM  QM5     6.50                
         QG2    63 HEM  HE1     5.00                
 62 GLY  
         HN     62 GLY  HA1     3.00                
         HN     62 GLY  HA2     3.20                
         HN     63 HEM  HN      5.50                
         HA1    63 HEM  HN      5.50                
         HA2    63 HEM  HN      5.50                
 63 HEM  
         HN     63 HEM  HA      5.30                
         HN     63 HEM  HB2     4.60                
         HN     63 HEM  HB3     5.50                
         HN     64 SER  HN      5.50                
         HA     63 HEM  HB2     4.40                
         HA     63 HEM  HB3     5.50                
         HA     64 SER  HN      4.10                
         HB2    63 HEM  HD2     5.00                
         HB2    64 SER  HN      5.50                
         HB2    67 ALA  QB      6.50                
         HB3    64 SER  HN      4.40                
         HB3    67 ALA  QB      5.10                
         HD2    67 ALA  QB      5.00                
         HE1    63 HEM  QM3     5.00                
         HAP71  63 HEM  HAP72   2.70                
         HAP71  63 HEM  HBP73   3.50                
         HAP71  63 HEM  HBP74   3.30                
         HAP71  63 HEM  QM8     4.30                
         HAP71  63 HEM  HGM     4.50                
         HAP71  63 HEM  HAP62   5.50                
         HAP72  63 HEM  HBP73   5.50                
         HAP72  63 HEM  HBP74   3.40                
         HAP72  63 HEM  QM8     3.40                
         HBP73  63 HEM  HBP74   2.70                
         HBP74  63 HEM  HAP62   5.50                
         QM8    63 HEM  HDM     4.00                
         QM8    67 ALA  HA      4.70                
         QM8    70 LEU  QD2     6.50                
         HDM    63 HEM  QM1     3.80                
         HDM    67 ALA  HA      5.50                
         HDM    67 ALA  QB      5.70                
         QM1    63 HEM  HV2A    4.40                
         QM1    63 HEM  HV2C    4.80                
         QM1    67 ALA  HA      6.50                
         QM1    70 LEU  HB3     6.30                
         QM1    70 LEU  HG      5.40                
         QM1    71 SER  HN      5.30                
         QM1    71 SER  HA      3.90                
         QM1    71 SER  QB      7.50                
         QM1    74 PHE  CG      8.50                
         QM1    74 PHE  CZ      8.50                
         HV2A   63 HEM  HV2T    4.40                
         HV2A   63 HEM  HV2C    4.60                
         HV2A   63 HEM  HAM     4.30                
         HV2A   71 SER  HA      5.50                
         HV2A   71 SER  QB      6.50                
         HV2T   63 HEM  HV2C    5.50                
         HV2T   71 SER  HA      5.50                
         HV2T   74 PHE  CG      7.50                
         HV2C   63 HEM  HAM     4.80                
         HV2C   71 SER  HA      5.50                
         HV2C   71 SER  QB      6.50                
         HV2C   74 PHE  CG      7.50                
         HAM    63 HEM  QM3     3.80                
         QM3    63 HEM  HV4T    5.60                
         QM3    63 HEM  HV4C    3.90                
         HV4A   63 HEM  HV4T    5.30                
         HV4A   63 HEM  HV4C    3.80                
         HV4T   63 HEM  HV4C    4.40                
         HBM    63 HEM  QM5     4.40                
         QM5    63 HEM  HAP61   3.70                
         QM5    63 HEM  HBP63   4.70                
         QM5    63 HEM  HBP64   5.90                
         HAP61  63 HEM  HBP63   3.90                
         HAP61  63 HEM  HBP64   4.00                
         HAP62  63 HEM  HBP63   3.80                
         HAP62  63 HEM  HBP64   3.80                
         HBP63  63 HEM  HBP64   2.80                
 64 SER  
         HN     64 SER  HA      5.00                
         HN     64 SER  HB2     5.00                
         HN     64 SER  HB3     4.90                
         HN     65 THR  HN      5.00                
         HN     67 ALA  HN      5.50                
         HN     67 ALA  QB      3.60                
         HA     64 SER  HB2     5.40                
         HA     64 SER  HB3     3.90                
         HA     65 THR  HN      3.10                
         HA     65 THR  HB      5.50                
         HA     66 ASP- HN      5.50                
         HA     67 ALA  HN      5.50                
         HB2    65 THR  HN      3.40                
         HB3    65 THR  HN      3.80                
         HB3    65 THR  HA      5.50                
         HB3    66 ASP- HN      4.30                
         HB3    67 ALA  HN      5.50                
 65 THR  
         HN     65 THR  HA      4.20                
         HN     65 THR  HB      2.80                
         HN     65 THR  QG2     4.30                
         HN     66 ASP- HN      3.90                
         HA     65 THR  HB      5.50                
         HA     65 THR  QG2     4.50                
         HA     66 ASP- HN      3.70                
         HA     67 ALA  HN      4.90                
         HA     68 ARG+ HN      5.50                
         HA     68 ARG+ HB3     4.30                
         HA     69 GLU- HG3     5.50                
         HB     65 THR  QG2     3.00                
         HB     66 ASP- HN      3.30                
         QG2    66 ASP- HN      6.20                
         QG2    69 GLU- HG2     6.10                
 66 ASP- 
         HN     66 ASP- HA      3.30                
         HN     66 ASP- HB2     3.20                
         HN     66 ASP- HB3     3.60                
         HN     67 ALA  HN      3.40                
         HN     68 ARG+ HN      4.30                
         HA     66 ASP- HB2     3.20                
         HA     66 ASP- HB3     3.50                
         HA     67 ALA  HN      3.90                
         HA     68 ARG+ HN      5.00                
         HA     69 GLU- HN      4.60                
         HA     69 GLU- HB2     3.90                
         HA     69 GLU- HB3     4.30                
         HA     70 LEU  HN      4.70                
         HB2    67 ALA  HN      3.60                
         HB3    67 ALA  HN      3.80                
 67 ALA  
         HN     67 ALA  HA      3.40                
         HN     67 ALA  QB      4.00                
         HN     68 ARG+ HN      3.40                
         HN     68 ARG+ QD      6.50                
         HN     69 GLU- HN      3.80                
         HA     67 ALA  QB      4.50                
         HA     68 ARG+ HN      4.80                
         HA     69 GLU- HN      5.50                
         HA     70 LEU  HN      3.60                
         HA     70 LEU  HB2     5.50                
         HA     70 LEU  HB3     3.30                
         HA     70 LEU  HG      5.50                
         HA     70 LEU  QD2     6.50                
         HA     71 SER  HN      4.70                
         QB     68 ARG+ HN      4.30                
 68 ARG+ 
         HN     68 ARG+ HA      3.80                
         HN     68 ARG+ HB2     3.30                
         HN     68 ARG+ HB3     4.00                
         HN     68 ARG+ QG      5.60                
         HN     68 ARG+ QD      4.90                
         HN     69 GLU- HN      3.50                
         HA     68 ARG+ HB2     3.40                
         HA     68 ARG+ HB3     3.90                
         HA     68 ARG+ QG      4.60                
         HA     68 ARG+ QD      5.40                
         HA     69 GLU- HN      4.00                
         HA     71 SER  HN      4.40                
         HA     71 SER  QB      6.50                
         HB2    68 ARG+ QD      5.20                
         HB2    69 GLU- HN      4.00                
         HB3    68 ARG+ QG      4.80                
         HB3    68 ARG+ QD      4.50                
         HB3    69 GLU- HN      5.40                
         HB3    69 GLU- HA      4.60                
         QG     68 ARG+ QD      6.80                
         QG     69 GLU- HN      6.50                
         QD     69 GLU- HN      6.50                
 69 GLU- 
         HN     69 GLU- HA      3.70                
         HN     69 GLU- HB2     3.70                
         HN     69 GLU- HB3     3.40                
         HN     69 GLU- HG2     4.10                
         HN     69 GLU- HG3     4.20                
         HN     70 LEU  HN      3.20                
         HN     70 LEU  HB3     5.50                
         HN     71 SER  HN      5.40                
         HA     69 GLU- HB2     3.10                
         HA     69 GLU- HB3     3.30                
         HA     69 GLU- HG2     4.40                
         HA     69 GLU- HG3     3.70                
         HA     70 LEU  HN      4.00                
         HA     72 LYS+ HN      4.10                
         HA     72 LYS+ HB2     3.10                
         HA     72 LYS+ HB3     5.30                
         HB2    69 GLU- HG2     3.30                
         HB2    69 GLU- HG3     3.70                
         HB2    70 LEU  HN      3.80                
         HB3    69 GLU- HG2     3.70                
         HB3    69 GLU- HG3     3.40                
         HB3    70 LEU  HN      4.00                
         HG2    70 LEU  HN      4.90                
 70 LEU  
         HN     70 LEU  HA      3.80                
         HN     70 LEU  HB2     3.30                
         HN     70 LEU  HB3     3.30                
         HN     70 LEU  HG      5.10                
         HN     70 LEU  QD1     4.20                
         HN     70 LEU  QD2     4.60                
         HN     71 SER  HN      3.90                
         HN     71 SER  QB      6.50                
         HN     72 LYS+ HN      4.80                
         HA     70 LEU  HB2     3.80                
         HA     70 LEU  HB3     3.60                
         HA     70 LEU  HG      4.70                
         HA     70 LEU  QD1     5.10                
         HA     70 LEU  QD2     4.00                
         HA     71 SER  HN      4.70                
         HA     72 LYS+ HN      5.30                
         HA     73 THR  HN      5.50                
         HB2    70 LEU  QD2     3.50                
         HB2    71 SER  HN      4.20                
         HB3    70 LEU  HG      3.90                
         HB3    70 LEU  QD1     3.70                
         HB3    70 LEU  QD2     3.60                
         HB3    71 SER  HN      3.30                
         HG     70 LEU  QD1     3.40                
         HG     70 LEU  QD2     3.50                
         HG     71 SER  HN      5.50                
         HG     74 PHE  CG      7.10                
         HG     74 PHE  CZ      6.60                
         HG     74 PHE  HZ      5.50                
         QD1    71 SER  HN      6.50                
         QD1    74 PHE  CG      8.50                
         QD1    74 PHE  CZ      7.80                
         QD1    74 PHE  HZ      5.10                
         QD2    73 THR  HN      6.50                
         QD2    73 THR  HB      6.50                
         QD2    74 PHE  HZ      5.40                
 71 SER  
         HN     71 SER  HA      2.90                
         HN     71 SER  QB      4.70                
         HN     72 LYS+ HN      3.40                
         HN     74 PHE  CG      7.00                
         HA     71 SER  QB      3.90                
         HA     72 LYS+ HN      3.80                
         HA     74 PHE  CG      5.60                
         HA     74 PHE  CZ      7.40                
         QB     72 LYS+ HN      6.10                
 72 LYS+ 
         HN     72 LYS+ HA      3.30                
         HN     72 LYS+ HB2     2.90                
         HN     72 LYS+ HB3     2.90                
         HN     72 LYS+ QG      5.40                
         HN     72 LYS+ QD      6.50                
         HN     73 THR  HN      3.20                
         HN     74 PHE  CG      6.70                
         HA     72 LYS+ HB2     3.50                
         HA     72 LYS+ HB3     3.40                
         HA     73 THR  HN      4.40                
         HA     74 PHE  HN      4.50                
         HA     75 ILE  HN      4.00                
         HA     75 ILE  HB      4.70                
         HA     75 ILE  QG2     5.00                
         HA     75 ILE  QD1     5.70                
         HB2    72 LYS+ QG      3.80                
         HB2    73 THR  HN      5.50                
         HB3    72 LYS+ QG      4.40                
         HB3    73 THR  HN      4.00                
 73 THR  
         HN     73 THR  HA      3.70                
         HN     73 THR  HB      3.70                
         HN     73 THR  QG2     3.80                
         HN     74 PHE  HN      3.20                
         HN     74 PHE  CG      7.50                
         HN     75 ILE  HN      5.30                
         HA     73 THR  HB      3.10                
         HA     73 THR  QG2     3.80                
         HA     74 PHE  HN      3.70                
         HA     75 ILE  HN      5.50                
         HB     73 THR  QG2     3.60                
         HB     74 PHE  HN      4.50                
         HB     74 PHE  CG      7.50                
         HB     74 PHE  CZ      7.50                
         QG2    74 PHE  HN      4.90                
         QG2    74 PHE  CG      8.50                
         QG2    74 PHE  CZ      8.50                
 74 PHE  
         HN     74 PHE  HA      3.70                
         HN     74 PHE  HB2     3.30                
         HN     74 PHE  CG      5.90                
         HN     75 ILE  HN      3.10                
         HN     75 ILE  HB      5.50                
         HN     75 ILE  QD1     6.50                
         HA     74 PHE  HB2     2.70                
         HA     74 PHE  CG      4.90                
         HA     74 PHE  CZ      6.10                
         HB2    74 PHE  CG      5.80                
         HB2    74 PHE  CZ      7.40                
         HB2    75 ILE  HN      4.80                
         CG     74 PHE  CZ      7.30                
         CZ     74 PHE  HZ      5.10                
 75 ILE  
         HN     75 ILE  HA      3.60                
         HN     75 ILE  HB      3.60                
         HN     75 ILE  QG2     4.40                
         HN     75 ILE  HG12    4.20                
         HN     75 ILE  HG13    4.40                
         HN     75 ILE  QD1     5.30                
         HA     75 ILE  HB      4.00                
         HA     75 ILE  QG2     3.90                
         HA     75 ILE  HG12    4.40                
         HA     75 ILE  HG13    4.80                
         HA     75 ILE  QD1     4.40                
         HA     76 ILE  HN      3.00                
         HA     76 ILE  HA      5.50                
         HA     76 ILE  HG12    5.50                
         HA     76 ILE  HG13    5.20                
         HA     76 ILE  QD1     6.50                
         HA     77 GLY  HN      3.40                
         HB     75 ILE  QG2     3.90                
         HB     75 ILE  HG13    3.90                
         HB     75 ILE  QD1     4.00                
         HB     76 ILE  HN      5.30                
         HB     77 GLY  HN      5.50                
         QG2    75 ILE  HG12    4.00                
         QG2    75 ILE  QD1     5.30                
         QG2    76 ILE  HN      4.70                
         QG2    77 GLY  HN      4.80                
         HG12   75 ILE  QD1     3.90                
         HG12   76 ILE  HN      5.50                
         HG12   77 GLY  HA2     5.50                
         HG13   75 ILE  QD1     3.80                
         HG13   76 ILE  HN      5.50                
         HG13   76 ILE  HG13    5.50                
         HG13   77 GLY  HN      5.50                
         HG13   77 GLY  HA2     4.10                
         QD1    76 ILE  HN      6.20                
         QD1    77 GLY  HN      6.50                
 76 ILE  
         HN     76 ILE  HA      4.00                
         HN     76 ILE  HB      4.20                
         HN     76 ILE  QG2     4.00                
         HN     76 ILE  HG12    4.10                
         HN     76 ILE  HG13    3.80                
         HN     76 ILE  QD1     4.50                
         HN     77 GLY  HN      3.10                
         HN     77 GLY  HA2     4.90                
         HA     76 ILE  HB      2.90                
         HA     76 ILE  QG2     3.50                
         HA     76 ILE  HG12    5.50                
         HA     76 ILE  HG13    5.50                
         HA     76 ILE  QD1     6.50                
         HA     77 GLY  HN      4.30                
         HB     76 ILE  QG2     3.10                
         HB     76 ILE  HG12    3.90                
         HB     76 ILE  HG13    4.00                
         HB     76 ILE  QD1     3.10                
         QG2    76 ILE  HG12    4.20                
         QG2    76 ILE  HG13    4.00                
         QG2    76 ILE  QD1     4.40                
         QG2    77 GLY  HN      5.30                
         HG12   76 ILE  QD1     3.70                
         HG12   77 GLY  HN      5.40                
         HG13   76 ILE  QD1     3.90                
         HG13   77 GLY  HN      5.30                
         QD1    77 GLY  HN      6.50                
 77 GLY  
         HN     77 GLY  HA1     3.60                
         HN     77 GLY  HA2     3.80                
         HN     78 GLU- HN      5.50                
         HA1    78 GLU- HN      3.30                
         HA1    78 GLU- QG      6.50                
         HA2    78 GLU- HN      3.50                
 78 GLU- 
         HN     78 GLU- HA      4.10                
         HN     78 GLU- QB      4.80                
         HN     78 GLU- QG      5.90                
         HN     79 LEU  HN      5.10                
         HA     78 GLU- QG      4.80                
         HA     79 LEU  HN      3.30                
         QB     78 GLU- QG      5.60                
         QB     79 LEU  HN      5.50                
 79 LEU  
         HN     79 LEU  HA      3.90                
         HN     79 LEU  QB      4.90                
         HN     79 LEU  HG      4.00                
         HN     79 LEU  QD1     4.60                
         HN     79 LEU  QD2     4.60                
         HN     80 HIS  HN      5.10                
         HA     79 LEU  QB      5.20                
         HA     79 LEU  HG      3.90                
         HA     79 LEU  QD1     4.80                
         HA     79 LEU  QD2     4.80                
         HA     80 HIS  HN      3.50                
         HA     80 HIS  HB3     4.50                
         QB     79 LEU  QD1     7.20                
         QB     79 LEU  QD2     5.70                
         QB     80 HIS  HB2     6.50                
         HG     79 LEU  QD1     5.40                
         HG     80 HIS  HB2     5.50                
         HG     83 ASP- HB2     5.50                
         QD1    87 LEU  QQD     8.40                
 80 HIS  
         HN     80 HIS  HA      4.10                
         HN     80 HIS  HB2     3.60                
         HN     80 HIS  HB3     3.40                
         HN     80 HIS  HD2     5.50                
         HN     83 ASP- HN      5.50                
         HA     80 HIS  HB2     4.80                
         HA     80 HIS  HB3     4.30                
         HA     80 HIS  HD2     4.80                
         HB2    80 HIS  HD2     4.40                
         HB2    81 PRO  HA      4.10                
         HB2    82 ASP- HN      5.00                
         HB3    80 HIS  HD2     4.00                
         HD2    80 HIS  HE1     4.00                
 81 PRO  
         HA     81 PRO  HB2     3.40                
         HA     81 PRO  HB3     3.20                
         HA     81 PRO  HG2     3.70                
         HA     81 PRO  HG3     4.60                
         HA     82 ASP- HN      5.50                
         HA     83 ASP- HN      4.30                
         HA     84 ARG+ HN      4.40                
         HA     84 ARG+ HB2     4.00                
         HB2    81 PRO  HG2     3.40                
         HB2    81 PRO  HG3     2.90                
         HB2    82 ASP- HN      4.70                
         HB3    81 PRO  HG2     3.60                
         HB3    82 ASP- HN      4.50                
 82 ASP- 
         HN     82 ASP- HA      4.80                
         HN     82 ASP- HB2     3.60                
         HN     82 ASP- HB3     4.10                
         HN     83 ASP- HN      3.60                
         HN     84 ARG+ HN      5.50                
         HA     82 ASP- HB2     3.80                
         HA     82 ASP- HB3     3.60                
         HA     85 SER  HN      4.80                
         HB2    83 ASP- HN      3.70                
         HB3    83 ASP- HN      4.50                
 83 ASP- 
         HN     83 ASP- HA      3.60                
         HN     83 ASP- HB2     3.30                
         HN     83 ASP- HB3     3.70                
         HN     84 ARG+ HN      3.20                
         HN     84 ARG+ HB2     3.80                
         HA     83 ASP- HB2     3.60                
         HA     84 ARG+ HN      4.40                
         HA     85 SER  HN      4.20                
         HB3    84 ARG+ HN      5.10                
 84 ARG+ 
         HN     84 ARG+ HA      5.20                
         HN     84 ARG+ HB2     3.00                
         HN     84 ARG+ HB3     3.90                
         HN     85 SER  HN      4.80                
         HN     86 LYS+ HN      4.00                
         HN     86 LYS+ HB2     4.90                
         HN     87 LEU  QQD     7.90                
         HA     84 ARG+ HB2     3.80                
         HA     84 ARG+ HB3     4.20                
         HA     85 SER  HA      5.50                
         HB2    85 SER  HN      5.50                
         HB3    85 SER  HA      5.50                
 85 SER  
         HN     85 SER  HA      3.30                
         HN     86 LYS+ HN      3.60                
         HN     86 LYS+ QG      6.50                
         HN     87 LEU  HN      5.30                
         HA     86 LYS+ HN      3.40                
 86 LYS+ 
         HN     86 LYS+ HA      3.60                
         HN     86 LYS+ HB3     3.10                
         HN     86 LYS+ QG      6.30                
         HN     87 LEU  HN      3.70                
         HA     86 LYS+ HB2     4.30                
         HA     86 LYS+ HB3     3.00                
         HA     86 LYS+ QG      5.30                
         HB2    86 LYS+ QG      5.20                
         HB2    87 LEU  HG      4.00                
         HB3    86 LYS+ QG      5.20                
 87 LEU  
         HN     87 LEU  HA      4.80                
         HN     87 LEU  QB      5.20                
         HN     87 LEU  HG      5.20                
         HN     87 LEU  QQD     8.90                
         HA     87 LEU  HG      4.60                
         HA     88 SER  HN      4.00                
         QB     87 LEU  QQD     6.70                
         HG     87 LEU  QQD     5.90                
         QQD    88 SER  HB2     7.20                
 88 SER  
         HN     88 SER  HA      3.40                
         HN     88 SER  HB2     3.80                
         HN     88 SER  HB3     3.60                
         HN     89 LYS+ HN      5.50                
         HA     88 SER  HB2     3.40                
 89 LYS+ 
         HN     89 LYS+ HA      3.60                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1           H1       ASP   1  -7.920   2.916  10.219
    2   2H    ASP   1           H2       ASP   1  -6.523   2.835   9.385
    3   3H    ASP   1           H3       ASP   1  -7.174   4.323   9.717
    4    HA   ASP   1           HA       ASP   1  -8.937   3.959   8.215
    5   1HB   ASP   1          2HB       ASP   1  -6.157   3.879   7.481
    6   2HB   ASP   1          3HB       ASP   1  -7.033   2.814   6.367
    7    H    LYS   2           H        LYS   2 -10.592   2.377   8.319
    8    HA   LYS   2           HA       LYS   2  -9.673  -0.444   8.405
    9   1HB   LYS   2          2HB       LYS   2 -10.861  -0.942  10.411
   10   2HB   LYS   2          3HB       LYS   2  -9.649   0.286  10.725
   11   1HG   LYS   2          2HG       LYS   2 -11.192   1.629  11.651
   12   2HG   LYS   2          3HG       LYS   2 -12.139   1.653  10.178
   13   1HD   LYS   2          2HD       LYS   2 -13.556   0.865  11.932
   14   2HD   LYS   2          3HD       LYS   2 -13.212  -0.549  10.928
   15   1HE   LYS   2          2HE       LYS   2 -11.720  -1.476  12.516
   16   2HE   LYS   2          3HE       LYS   2 -11.441   0.088  13.297
   17   1HZ   LYS   2          1HZ       LYS   2 -13.717  -0.001  14.119
   18   2HZ   LYS   2          2HZ       LYS   2 -13.917  -1.503  13.475
   19   3HZ   LYS   2          3HZ       LYS   2 -12.816  -1.256  14.674
   20    H    ASP   3           H        ASP   3 -10.618  -0.492   6.244
   21    HA   ASP   3           HA       ASP   3 -13.326  -1.434   6.446
   22   1HB   ASP   3          2HB       ASP   3 -13.287   1.267   6.082
   23   2HB   ASP   3          3HB       ASP   3 -13.083   0.758   4.405
   24    H    VAL   4           H        VAL   4 -13.994  -1.946   3.906
   25    HA   VAL   4           HA       VAL   4 -11.530  -2.565   2.433
   26    HB   VAL   4           HB       VAL   4 -13.644  -4.704   2.517
   27   1HG1  VAL   4          1HG       VAL   4 -10.628  -4.637   2.167
   28   2HG1  VAL   4          2HG       VAL   4 -11.679  -6.056   1.952
   29   3HG1  VAL   4          3HG       VAL   4 -11.846  -4.662   0.864
   30   1HG2  VAL   4          1HG       VAL   4 -11.423  -4.373   4.589
   31   2HG2  VAL   4          2HG       VAL   4 -13.174  -4.459   4.910
   32   3HG2  VAL   4          3HG       VAL   4 -12.319  -5.877   4.292
   33    H    LYS   5           H        LYS   5 -12.326  -0.570   1.375
   34    HA   LYS   5           HA       LYS   5 -14.839  -0.896  -0.104
   35   1HB   LYS   5          2HB       LYS   5 -13.810   1.239   0.997
   36   2HB   LYS   5          3HB       LYS   5 -12.813   1.356  -0.445
   37   1HG   LYS   5          2HG       LYS   5 -14.714   1.708  -1.849
   38   2HG   LYS   5          3HG       LYS   5 -15.824   0.999  -0.655
   39   1HD   LYS   5          2HD       LYS   5 -15.418   2.859   0.893
   40   2HD   LYS   5          3HD       LYS   5 -14.343   3.636  -0.286
   41   1HE   LYS   5          2HE       LYS   5 -16.084   4.379  -1.565
   42   2HE   LYS   5          3HE       LYS   5 -16.939   2.836  -1.434
   43   1HZ   LYS   5          1HZ       LYS   5 -16.966   5.016   0.547
   44   2HZ   LYS   5          2HZ       LYS   5 -18.228   4.476  -0.365
   45   3HZ   LYS   5          3HZ       LYS   5 -17.603   3.523   0.820
   46    H    TYR   6           H        TYR   6 -14.082  -2.904  -1.143
   47    HA   TYR   6           HA       TYR   6 -12.240  -3.604  -2.774
   48   1HB   TYR   6          2HB       TYR   6 -15.228  -3.656  -3.183
   49   2HB   TYR   6          3HB       TYR   6 -14.169  -4.312  -4.413
   50    HD1  TYR   6           HD1      TYR   6 -15.878  -5.100  -1.383
   51    HD2  TYR   6           HD2      TYR   6 -12.338  -6.026  -3.679
   52    HE1  TYR   6           HE1      TYR   6 -15.710  -7.300  -0.247
   53    HE2  TYR   6           HE2      TYR   6 -12.185  -8.228  -2.564
   54    HH   TYR   6           HH       TYR   6 -13.276  -9.065   0.081
   55    H    TYR   7           H        TYR   7 -10.986  -2.363  -4.011
   56    HA   TYR   7           HA       TYR   7 -12.167  -0.375  -5.843
   57   1HB   TYR   7          2HB       TYR   7  -9.551  -0.614  -4.302
   58   2HB   TYR   7          3HB       TYR   7  -9.642   0.305  -5.736
   59    HD1  TYR   7           HD1      TYR   7 -12.049   1.860  -5.775
   60    HD2  TYR   7           HD2      TYR   7  -9.684   0.706  -2.368
   61    HE1  TYR   7           HE1      TYR   7 -12.915   3.780  -4.558
   62    HE2  TYR   7           HE2      TYR   7 -10.680   2.591  -1.064
   63    HH   TYR   7           HH       TYR   7 -12.861   4.967  -2.556
   64    H    THR   8           H        THR   8 -11.057  -0.052  -7.906
   65    HA   THR   8           HA       THR   8 -10.554  -2.679  -9.172
   66    HB   THR   8           HB       THR   8 -10.958  -1.343 -11.253
   67    HG1  THR   8          1HG       THR   8 -11.948   0.814  -9.849
   68   1HG2  THR   8          1HG       THR   8 -13.376  -0.811 -10.828
   69   2HG2  THR   8          2HG       THR   8 -12.878  -2.413 -10.257
   70   3HG2  THR   8          3HG       THR   8 -13.100  -1.082  -9.095
   71    H    LEU   9           H        LEU   9  -8.670  -2.888 -10.558
   72    HA   LEU   9           HA       LEU   9  -6.279  -1.940  -9.534
   73   1HB   LEU   9          2HB       LEU   9  -6.677  -2.603 -12.471
   74   2HB   LEU   9          3HB       LEU   9  -5.175  -2.591 -11.561
   75    HG   LEU   9           HG       LEU   9  -5.713  -4.840 -11.746
   76   1HD1  LEU   9          1HD       LEU   9  -5.117  -4.126  -9.407
   77   2HD1  LEU   9          2HD       LEU   9  -6.851  -4.096  -9.020
   78   3HD1  LEU   9          3HD       LEU   9  -6.073  -5.620  -9.495
   79   1HD2  LEU   9          1HD       LEU   9  -8.402  -4.928 -10.541
   80   2HD2  LEU   9          2HD       LEU   9  -8.354  -4.063 -12.106
   81   3HD2  LEU   9          3HD       LEU   9  -7.765  -5.702 -11.993
   82    H    GLU  10           H        GLU  10  -8.165  -0.515 -12.208
   83    HA   GLU  10           HA       GLU  10  -6.459   1.610 -12.914
   84   1HB   GLU  10          2HB       GLU  10  -9.448   1.163 -12.914
   85   2HB   GLU  10          3HB       GLU  10  -8.784   2.726 -13.422
   86   1HG   GLU  10          2HG       GLU  10  -7.523   1.781 -15.195
   87   2HG   GLU  10          3HG       GLU  10  -7.742   0.129 -14.605
   88    H    GLU  11           H        GLU  11  -8.997   1.467 -10.331
   89    HA   GLU  11           HA       GLU  11  -8.739   4.158  -9.493
   90   1HB   GLU  11          2HB       GLU  11 -10.539   2.520  -8.773
   91   2HB   GLU  11          3HB       GLU  11  -9.332   1.742  -7.739
   92   1HG   GLU  11          2HG       GLU  11 -10.136   3.197  -6.201
   93   2HG   GLU  11          3HG       GLU  11  -8.941   4.237  -6.894
   94    H    ILE  12           H        ILE  12  -7.025   1.174  -8.272
   95    HA   ILE  12           HA       ILE  12  -5.479   2.575  -6.379
   96    HB   ILE  12           HB       ILE  12  -4.866   0.060  -7.975
   97   1HG1  ILE  12          2HG       ILE  12  -5.462  -0.361  -5.214
   98   2HG1  ILE  12          3HG       ILE  12  -6.647   0.777  -5.771
   99   1HG2  ILE  12          1HG       ILE  12  -3.545   1.093  -5.437
  100   2HG2  ILE  12          2HG       ILE  12  -3.276  -0.486  -6.211
  101   3HG2  ILE  12          3HG       ILE  12  -2.807   0.947  -7.069
  102   1HD1  ILE  12          1HD       ILE  12  -7.819  -1.053  -6.413
  103   2HD1  ILE  12          2HD       ILE  12  -6.705  -1.064  -7.784
  104   3HD1  ILE  12          3HD       ILE  12  -6.388  -2.103  -6.410
  105    H    LYS  13           H        LYS  13  -4.992   2.061  -9.842
  106    HA   LYS  13           HA       LYS  13  -2.350   3.326  -9.899
  107   1HB   LYS  13          2HB       LYS  13  -4.205   2.171 -12.004
  108   2HB   LYS  13          3HB       LYS  13  -2.641   2.912 -12.401
  109   1HG   LYS  13          2HG       LYS  13  -1.398   1.238 -11.399
  110   2HG   LYS  13          3HG       LYS  13  -2.588   0.936 -10.156
  111   1HD   LYS  13          2HD       LYS  13  -2.772  -0.993 -11.239
  112   2HD   LYS  13          3HD       LYS  13  -4.020  -0.114 -12.127
  113   1HE   LYS  13          2HE       LYS  13  -2.722   0.095 -14.049
  114   2HE   LYS  13          3HE       LYS  13  -1.201  -0.008 -13.141
  115   1HZ   LYS  13          1HZ       LYS  13  -2.968  -2.203 -13.941
  116   2HZ   LYS  13          2HZ       LYS  13  -1.340  -2.047 -14.146
  117   3HZ   LYS  13          3HZ       LYS  13  -1.948  -2.378 -12.660
  118    H    LYS  14           H        LYS  14  -5.090   4.707  -9.186
  119    HA   LYS  14           HA       LYS  14  -4.554   7.233 -10.633
  120   1HB   LYS  14          2HB       LYS  14  -6.606   5.876 -11.356
  121   2HB   LYS  14          3HB       LYS  14  -7.221   6.128  -9.724
  122   1HG   LYS  14          2HG       LYS  14  -6.598   8.737 -10.566
  123   2HG   LYS  14          3HG       LYS  14  -7.052   7.955 -12.062
  124   1HD   LYS  14          2HD       LYS  14  -9.020   7.105 -10.176
  125   2HD   LYS  14          3HD       LYS  14  -8.725   8.789  -9.787
  126   1HE   LYS  14          2HE       LYS  14  -8.966   8.221 -12.708
  127   2HE   LYS  14          3HE       LYS  14 -10.374   7.720 -11.770
  128   1HZ   LYS  14          1HZ       LYS  14  -9.981  10.134 -10.787
  129   2HZ   LYS  14          2HZ       LYS  14  -9.423  10.382 -12.318
  130   3HZ   LYS  14          3HZ       LYS  14 -10.956   9.826 -12.072
  131    H    HIS  15           H        HIS  15  -3.926   5.878  -7.746
  132    HA   HIS  15           HA       HIS  15  -4.716   8.362  -6.292
  133   1HB   HIS  15          2HB       HIS  15  -4.537   5.469  -5.463
  134   2HB   HIS  15          3HB       HIS  15  -4.385   6.738  -4.278
  135    HD1  HIS  15           HD1      HIS  15  -6.592   8.667  -4.452
  136    HD2  HIS  15           HD2      HIS  15  -6.962   4.750  -5.931
  137    HE1  HIS  15           HE1      HIS  15  -9.100   8.198  -4.700
  138    H    ASN  16           H        ASN  16  -2.201   7.075  -7.923
  139    HA   ASN  16           HA       ASN  16  -0.030   7.509  -6.022
  140   1HB   ASN  16          2HB       ASN  16   1.410   7.204  -8.071
  141   2HB   ASN  16          3HB       ASN  16   0.388   5.831  -7.659
  142   1HD2  ASN  16          1HD       ASN  16  -1.496   5.347  -8.988
  143   2HD2  ASN  16          2HD       ASN  16  -1.587   6.044 -10.610
  144    H    HIS  17           H        HIS  17  -0.757   9.725  -5.384
  145    HA   HIS  17           HA       HIS  17   0.340  11.714  -7.339
  146   1HB   HIS  17          2HB       HIS  17  -2.017  12.036  -5.461
  147   2HB   HIS  17          3HB       HIS  17  -1.270  13.336  -6.394
  148    HD1  HIS  17           HD1      HIS  17  -1.657  13.237  -9.101
  149    HD2  HIS  17           HD2      HIS  17  -3.627  10.336  -6.771
  150    HE1  HIS  17           HE1      HIS  17  -3.414  12.152 -10.606
  151    H    SER  18           H        SER  18  -0.565  11.499  -3.887
  152    HA   SER  18           HA       SER  18   1.952  11.645  -2.703
  153   1HB   SER  18          2HB       SER  18   1.939  14.148  -2.065
  154   2HB   SER  18          3HB       SER  18   2.486  13.763  -3.697
  155    HG   SER  18           HG       SER  18   0.655  14.469  -4.535
  156    H    LYS  19           H        LYS  19  -1.269  13.123  -2.691
  157    HA   LYS  19           HA       LYS  19  -1.535  12.657   0.223
  158   1HB   LYS  19          2HB       LYS  19  -2.624  14.612  -1.684
  159   2HB   LYS  19          3HB       LYS  19  -3.861  13.938  -0.624
  160   1HG   LYS  19          2HG       LYS  19  -2.458  14.416   1.362
  161   2HG   LYS  19          3HG       LYS  19  -1.226  15.156   0.322
  162   1HD   LYS  19          2HD       LYS  19  -4.126  16.086   0.395
  163   2HD   LYS  19          3HD       LYS  19  -2.890  16.740   1.479
  164   1HE   LYS  19          2HE       LYS  19  -1.932  18.005  -0.112
  165   2HE   LYS  19          3HE       LYS  19  -1.943  16.693  -1.294
  166   1HZ   LYS  19          1HZ       LYS  19  -4.249  18.424  -0.660
  167   2HZ   LYS  19          2HZ       LYS  19  -3.307  18.531  -2.005
  168   3HZ   LYS  19          3HZ       LYS  19  -4.244  17.201  -1.764
  169    H    SER  20           H        SER  20  -1.676  10.560  -1.996
  170    HA   SER  20           HA       SER  20  -3.847   9.002  -0.848
  171   1HB   SER  20          2HB       SER  20  -3.828   9.859  -3.773
  172   2HB   SER  20          3HB       SER  20  -4.688   8.426  -3.187
  173    HG   SER  20           HG       SER  20  -5.868   9.791  -1.800
  174    H    THR  21           H        THR  21  -0.835   8.968  -0.964
  175    HA   THR  21           HA       THR  21   0.215   7.132  -2.829
  176    HB   THR  21           HB       THR  21   0.945   7.771   0.048
  177    HG1  THR  21          1HG       THR  21   2.448   9.039  -1.043
  178   1HG2  THR  21          1HG       THR  21   2.189   5.874  -1.938
  179   2HG2  THR  21          2HG       THR  21   3.230   6.839  -0.883
  180   3HG2  THR  21          3HG       THR  21   2.027   5.765  -0.164
  181    H    TRP  22           H        TRP  22  -1.237   5.511  -3.253
  182    HA   TRP  22           HA       TRP  22  -1.789   3.545  -1.111
  183   1HB   TRP  22          2HB       TRP  22  -2.837   4.032  -3.925
  184   2HB   TRP  22          3HB       TRP  22  -3.204   2.560  -3.038
  185    HD1  TRP  22           HD1      TRP  22  -3.206   5.396  -0.664
  186    HE1  TRP  22           HE1      TRP  22  -5.568   6.124  -0.103
  187    HE3  TRP  22           HE3      TRP  22  -5.679   2.704  -4.204
  188    HZ2  TRP  22           HZ2      TRP  22  -8.216   5.824  -1.267
  189    HZ3  TRP  22           HZ3      TRP  22  -8.147   2.908  -4.446
  190    HH2  TRP  22           HH2      TRP  22  -9.402   4.519  -3.038
  191    H    LEU  23           H        LEU  23  -1.705   1.211  -2.071
  192    HA   LEU  23           HA       LEU  23   0.100   0.590  -4.163
  193   1HB   LEU  23          2HB       LEU  23   1.932  -0.415  -2.716
  194   2HB   LEU  23          3HB       LEU  23   1.913   1.320  -2.896
  195    HG   LEU  23           HG       LEU  23   0.596   1.333  -0.592
  196   1HD1  LEU  23          1HD       LEU  23   2.056  -1.287  -0.452
  197   2HD1  LEU  23          2HD       LEU  23   1.103  -0.517   0.844
  198   3HD1  LEU  23          3HD       LEU  23   0.301  -1.188  -0.595
  199   1HD2  LEU  23          1HD       LEU  23   2.547   2.213   0.006
  200   2HD2  LEU  23          2HD       LEU  23   3.193   0.582   0.289
  201   3HD2  LEU  23          3HD       LEU  23   3.415   1.367  -1.275
  202    H    ILE  24           H        ILE  24   0.556  -1.831  -4.108
  203    HA   ILE  24           HA       ILE  24  -1.795  -3.232  -2.955
  204    HB   ILE  24           HB       ILE  24  -0.187  -3.805  -5.506
  205   1HG1  ILE  24          2HG       ILE  24  -1.625  -2.005  -5.970
  206   2HG1  ILE  24          3HG       ILE  24  -2.411  -3.459  -6.597
  207   1HG2  ILE  24          1HG       ILE  24  -2.111  -5.468  -3.934
  208   2HG2  ILE  24          2HG       ILE  24  -2.361  -5.439  -5.687
  209   3HG2  ILE  24          3HG       ILE  24  -0.800  -5.946  -5.040
  210   1HD1  ILE  24          1HD       ILE  24  -3.153  -1.816  -4.164
  211   2HD1  ILE  24          2HD       ILE  24  -4.161  -2.340  -5.519
  212   3HD1  ILE  24          3HD       ILE  24  -3.657  -3.511  -4.291
  213    H    LEU  25           H        LEU  25  -0.961  -4.251  -1.136
  214    HA   LEU  25           HA       LEU  25   1.598  -5.727  -1.437
  215   1HB   LEU  25          2HB       LEU  25   0.381  -4.231   0.880
  216   2HB   LEU  25          3HB       LEU  25   1.444  -5.597   1.209
  217    HG   LEU  25           HG       LEU  25   2.258  -3.356  -0.654
  218   1HD1  LEU  25          1HD       LEU  25   1.652  -2.511   1.700
  219   2HD1  LEU  25          2HD       LEU  25   2.927  -3.568   2.321
  220   3HD1  LEU  25          3HD       LEU  25   3.342  -2.244   1.212
  221   1HD2  LEU  25          1HD       LEU  25   3.454  -5.491  -0.675
  222   2HD2  LEU  25          2HD       LEU  25   4.493  -4.159  -0.127
  223   3HD2  LEU  25          3HD       LEU  25   3.829  -5.324   1.044
  224    H    HIS  26           H        HIS  26   0.928  -7.687  -2.078
  225    HA   HIS  26           HA       HIS  26  -0.140  -9.719  -2.048
  226   1HB   HIS  26          2HB       HIS  26  -0.716  -9.102   0.879
  227   2HB   HIS  26          3HB       HIS  26  -0.834 -10.660   0.098
  228    HD1  HIS  26           HD1      HIS  26   1.399 -12.035  -0.146
  229    HD2  HIS  26           HD2      HIS  26   1.830  -8.086   1.262
  230    HE1  HIS  26           HE1      HIS  26   3.793 -11.821   0.728
  231    H    HIS  27           H        HIS  27  -1.720  -8.679  -3.538
  232    HA   HIS  27           HA       HIS  27  -3.765  -8.139  -4.276
  233   1HB   HIS  27          2HB       HIS  27  -4.786 -10.400  -2.543
  234   2HB   HIS  27          3HB       HIS  27  -5.317  -9.932  -4.155
  235    HD1  HIS  27           HD1      HIS  27  -3.237 -12.393  -2.429
  236    HD2  HIS  27           HD2      HIS  27  -3.219 -10.413  -6.144
  237    HE1  HIS  27           HE1      HIS  27  -1.701 -13.746  -3.978
  238    H    LYS  28           H        LYS  28  -3.291  -6.370  -2.200
  239    HA   LYS  28           HA       LYS  28  -5.961  -5.950  -0.999
  240   1HB   LYS  28          2HB       LYS  28  -3.394  -6.696   0.328
  241   2HB   LYS  28          3HB       LYS  28  -4.238  -5.330   1.040
  242   1HG   LYS  28          2HG       LYS  28  -6.079  -6.534   1.672
  243   2HG   LYS  28          3HG       LYS  28  -5.835  -7.782   0.446
  244   1HD   LYS  28          2HD       LYS  28  -4.867  -9.075   1.934
  245   2HD   LYS  28          3HD       LYS  28  -3.517  -7.951   2.083
  246   1HE   LYS  28          2HE       LYS  28  -4.261  -7.067   4.059
  247   2HE   LYS  28          3HE       LYS  28  -5.963  -7.148   3.572
  248   1HZ   LYS  28          1HZ       LYS  28  -5.699  -8.710   5.255
  249   2HZ   LYS  28          2HZ       LYS  28  -5.797  -9.577   3.863
  250   3HZ   LYS  28          3HZ       LYS  28  -4.331  -9.366   4.584
  251    H    VAL  29           H        VAL  29  -6.122  -3.592  -0.254
  252    HA   VAL  29           HA       VAL  29  -4.250  -1.939  -1.893
  253    HB   VAL  29           HB       VAL  29  -7.171  -2.053  -1.410
  254   1HG1  VAL  29          1HG       VAL  29  -7.098   0.019  -0.757
  255   2HG1  VAL  29          2HG       VAL  29  -5.672   0.498  -1.721
  256   3HG1  VAL  29          3HG       VAL  29  -7.279   0.339  -2.474
  257   1HG2  VAL  29          1HG       VAL  29  -6.931  -2.948  -3.401
  258   2HG2  VAL  29          2HG       VAL  29  -7.183  -1.260  -3.860
  259   3HG2  VAL  29          3HG       VAL  29  -5.534  -1.933  -3.810
  260    H    TYR  30           H        TYR  30  -2.913  -0.823  -0.525
  261    HA   TYR  30           HA       TYR  30  -3.856  -0.206   2.191
  262   1HB   TYR  30          2HB       TYR  30  -1.178  -0.535   0.810
  263   2HB   TYR  30          3HB       TYR  30  -1.382   0.067   2.430
  264    HD1  TYR  30           HD1      TYR  30  -2.022  -2.996   0.365
  265    HD2  TYR  30           HD2      TYR  30  -1.491  -1.299   4.271
  266    HE1  TYR  30           HE1      TYR  30  -2.072  -5.261   1.390
  267    HE2  TYR  30           HE2      TYR  30  -1.648  -3.552   5.260
  268    HH   TYR  30           HH       TYR  30  -1.907  -5.715   4.943
  269    H    ASP  31           H        ASP  31  -3.177   1.903   2.965
  270    HA   ASP  31           HA       ASP  31  -2.473   3.968   0.986
  271   1HB   ASP  31          2HB       ASP  31  -4.905   3.986   1.323
  272   2HB   ASP  31          3HB       ASP  31  -4.688   4.134   3.078
  273    H    LEU  32           H        LEU  32  -0.585   4.655   1.724
  274    HA   LEU  32           HA       LEU  32  -0.259   4.928   4.673
  275   1HB   LEU  32          2HB       LEU  32   2.315   4.674   3.588
  276   2HB   LEU  32          3HB       LEU  32   1.478   3.631   4.715
  277    HG   LEU  32           HG       LEU  32   1.314   3.285   1.713
  278   1HD1  LEU  32          1HD       LEU  32   2.838   1.259   2.385
  279   2HD1  LEU  32          2HD       LEU  32   3.531   2.857   2.159
  280   3HD1  LEU  32          3HD       LEU  32   3.228   2.246   3.804
  281   1HD2  LEU  32          1HD       LEU  32  -0.252   1.811   2.198
  282   2HD2  LEU  32          2HD       LEU  32   0.851   0.893   3.253
  283   3HD2  LEU  32          3HD       LEU  32  -0.164   2.182   3.926
  284    H    THR  33           H        THR  33  -1.343   6.791   2.609
  285    HA   THR  33           HA       THR  33   0.415   8.867   1.998
  286    HB   THR  33           HB       THR  33  -2.541   8.662   2.805
  287    HG1  THR  33          1HG       THR  33  -2.265   7.793   0.901
  288   1HG2  THR  33          1HG       THR  33  -1.823  10.978   3.235
  289   2HG2  THR  33          2HG       THR  33  -1.146  11.040   1.586
  290   3HG2  THR  33          3HG       THR  33  -2.911  10.837   1.860
  291    H    LYS  34           H        LYS  34  -1.624   8.452   4.981
  292    HA   LYS  34           HA       LYS  34  -0.293  10.761   6.201
  293   1HB   LYS  34          2HB       LYS  34  -2.696  10.066   6.626
  294   2HB   LYS  34          3HB       LYS  34  -2.080   8.671   7.518
  295   1HG   LYS  34          2HG       LYS  34  -0.813  11.146   8.473
  296   2HG   LYS  34          3HG       LYS  34  -2.561  11.321   8.463
  297   1HD   LYS  34          2HD       LYS  34  -2.724   9.125   9.743
  298   2HD   LYS  34          3HD       LYS  34  -0.955   9.134   9.850
  299   1HE   LYS  34          2HE       LYS  34  -1.418  10.196  11.825
  300   2HE   LYS  34          3HE       LYS  34  -1.311  11.592  10.756
  301   1HZ   LYS  34          1HZ       LYS  34  -3.782  10.239  11.646
  302   2HZ   LYS  34          2HZ       LYS  34  -3.296  11.760  12.045
  303   3HZ   LYS  34          3HZ       LYS  34  -3.761  11.422  10.500
  304    H    PHE  35           H        PHE  35   0.784   7.670   5.569
  305    HA   PHE  35           HA       PHE  35   2.303   7.445   8.094
  306   1HB   PHE  35          2HB       PHE  35   0.856   5.568   7.280
  307   2HB   PHE  35          3HB       PHE  35   1.847   5.494   5.842
  308    HD1  PHE  35           HD1      PHE  35   2.550   5.717   9.547
  309    HD2  PHE  35           HD2      PHE  35   3.374   3.745   5.797
  310    HE1  PHE  35           HE1      PHE  35   4.249   4.302  10.654
  311    HE2  PHE  35           HE2      PHE  35   4.906   2.234   6.912
  312    HZ   PHE  35           HZ       PHE  35   5.497   2.649   9.356
  313    H    LEU  36           H        LEU  36   2.510   8.453   4.821
  314    HA   LEU  36           HA       LEU  36   4.927   7.526   3.947
  315   1HB   LEU  36          2HB       LEU  36   3.435  10.160   3.657
  316   2HB   LEU  36          3HB       LEU  36   5.089  10.081   3.064
  317    HG   LEU  36           HG       LEU  36   2.677   8.511   2.130
  318   1HD1  LEU  36          1HD       LEU  36   4.062   9.765  -0.008
  319   2HD1  LEU  36          2HD       LEU  36   2.510  10.240   0.755
  320   3HD1  LEU  36          3HD       LEU  36   4.031  10.931   1.304
  321   1HD2  LEU  36          1HD       LEU  36   4.682   7.782   0.403
  322   2HD2  LEU  36          2HD       LEU  36   5.530   7.769   1.935
  323   3HD2  LEU  36          3HD       LEU  36   4.033   6.835   1.761
  324    H    GLU  37           H        GLU  37   4.744  10.691   5.585
  325    HA   GLU  37           HA       GLU  37   7.520  10.557   6.367
  326   1HB   GLU  37          2HB       GLU  37   6.884  12.625   7.645
  327   2HB   GLU  37          3HB       GLU  37   6.589  12.706   5.918
  328   1HG   GLU  37          2HG       GLU  37   4.270  11.780   7.590
  329   2HG   GLU  37          3HG       GLU  37   4.798  13.437   7.857
  330    H    GLU  38           H        GLU  38   4.684   9.195   7.715
  331    HA   GLU  38           HA       GLU  38   5.722   9.206  10.476
  332   1HB   GLU  38          2HB       GLU  38   3.153   9.208   9.253
  333   2HB   GLU  38          3HB       GLU  38   3.271   7.683  10.118
  334   1HG   GLU  38          2HG       GLU  38   3.361   8.704  12.192
  335   2HG   GLU  38          3HG       GLU  38   4.109  10.172  11.569
  336    H    HIS  39           HN       HIS  39   6.496   7.485   7.780
  337    HA   HIS  39           HA       HIS  39   6.503   4.865   8.956
  338   1HB   HIS  39          2HB       HIS  39   5.965   4.988   6.612
  339   2HB   HIS  39          3HB       HIS  39   7.374   5.950   6.280
  340    HD1  HIS  39           HND      HIS  39   9.026   4.654   4.974
  341    HD2  HIS  39           HD       HIS  39   6.905   2.232   7.644
  342    HE1  HIS  39           HE       HIS  39   9.745   2.260   4.513
  343    HA   PRO  40           HA       PRO  40  10.649   5.634  10.473
  344   1HB   PRO  40          2HB       PRO  40  11.118   3.209  11.645
  345   2HB   PRO  40          3HB       PRO  40  10.081   4.474  12.358
  346   1HG   PRO  40          2HG       PRO  40   9.229   2.003  10.895
  347   2HG   PRO  40          3HG       PRO  40   8.459   2.790  12.301
  348   1HD   PRO  40          2HD       PRO  40   7.718   3.012   9.611
  349   2HD   PRO  40          3HD       PRO  40   7.242   4.163  10.901
  350    H    GLY  41           H        GLY  41  11.547   5.890   8.412
  351   1HA   GLY  41          2HA       GLY  41  13.652   4.319   7.696
  352   2HA   GLY  41          3HA       GLY  41  12.313   3.580   6.794
  353    H    GLY  42           H        GLY  42  10.841   5.262   5.688
  354   1HA   GLY  42          2HA       GLY  42  12.100   7.656   4.709
  355   2HA   GLY  42          3HA       GLY  42  12.054   6.368   3.486
  356    H    GLU  43           H        GLU  43  10.575   7.345   2.295
  357    HA   GLU  43           HA       GLU  43   7.709   7.365   2.867
  358   1HB   GLU  43          2HB       GLU  43   7.955   9.547   3.648
  359   2HB   GLU  43          3HB       GLU  43   9.357   9.889   2.680
  360   1HG   GLU  43          2HG       GLU  43   6.631   9.540   1.370
  361   2HG   GLU  43          3HG       GLU  43   7.060  11.054   2.150
  362    H    GLU  44           H        GLU  44  10.153   8.615   0.891
  363    HA   GLU  44           HA       GLU  44   8.925   8.487  -1.651
  364   1HB   GLU  44          2HB       GLU  44  11.236   9.531  -1.378
  365   2HB   GLU  44          3HB       GLU  44  11.902   7.892  -1.462
  366   1HG   GLU  44          2HG       GLU  44  10.570   7.724  -3.752
  367   2HG   GLU  44          3HG       GLU  44  10.421   9.459  -3.626
  368    H    VAL  45           H        VAL  45  10.618   5.879   0.093
  369    HA   VAL  45           HA       VAL  45  10.459   3.939  -1.989
  370    HB   VAL  45           HB       VAL  45  10.211   2.350   0.000
  371   1HG1  VAL  45          1HG       VAL  45  12.710   4.064  -0.028
  372   2HG1  VAL  45          2HG       VAL  45  12.558   2.334   0.382
  373   3HG1  VAL  45          3HG       VAL  45  12.307   2.879  -1.284
  374   1HG2  VAL  45          1HG       VAL  45  10.369   3.019   2.165
  375   2HG2  VAL  45          2HG       VAL  45  11.314   4.473   1.788
  376   3HG2  VAL  45          3HG       VAL  45   9.561   4.462   1.548
  377    H    LEU  46           H        LEU  46   7.851   5.144   0.539
  378    HA   LEU  46           HA       LEU  46   6.213   3.052  -0.599
  379   1HB   LEU  46          2HB       LEU  46   5.229   5.652   0.435
  380   2HB   LEU  46          3HB       LEU  46   4.480   4.066   0.571
  381    HG   LEU  46           HG       LEU  46   6.882   5.206   2.088
  382   1HD1  LEU  46          1HD       LEU  46   5.532   5.436   3.782
  383   2HD1  LEU  46          2HD       LEU  46   4.192   4.938   2.743
  384   3HD1  LEU  46          3HD       LEU  46   5.054   3.738   3.730
  385   1HD2  LEU  46          1HD       LEU  46   7.074   2.914   3.187
  386   2HD2  LEU  46          2HD       LEU  46   6.185   2.277   1.777
  387   3HD2  LEU  46          3HD       LEU  46   7.767   3.067   1.599
  388    H    ARG  47           H        ARG  47   7.202   6.124  -1.979
  389    HA   ARG  47           HA       ARG  47   5.012   6.226  -3.891
  390   1HB   ARG  47          2HB       ARG  47   6.593   8.179  -2.952
  391   2HB   ARG  47          3HB       ARG  47   7.577   7.711  -4.347
  392   1HG   ARG  47          2HG       ARG  47   5.238   7.876  -5.648
  393   2HG   ARG  47          3HG       ARG  47   4.772   8.836  -4.242
  394   1HD   ARG  47          2HD       ARG  47   5.612  10.512  -5.586
  395   2HD   ARG  47          3HD       ARG  47   7.091  10.056  -4.718
  396    HE   ARG  47           HE       ARG  47   6.572   8.575  -7.190
  397   1HH1  ARG  47          2HH       ARG  47   8.200  11.367  -5.778
  398   2HH1  ARG  47          1HH       ARG  47   9.258  11.642  -7.114
  399   1HH2  ARG  47          2HH       ARG  47   7.939   8.938  -9.022
  400   2HH2  ARG  47          1HH       ARG  47   9.088  10.225  -9.016
  401    H    GLU  48           H        GLU  48   8.239   4.759  -3.796
  402    HA   GLU  48           HA       GLU  48   8.580   4.639  -6.659
  403   1HB   GLU  48          2HB       GLU  48   9.992   3.628  -4.285
  404   2HB   GLU  48          3HB       GLU  48   9.915   2.400  -5.541
  405   1HG   GLU  48          2HG       GLU  48  10.650   4.463  -7.109
  406   2HG   GLU  48          3HG       GLU  48  11.295   5.065  -5.581
  407    H    GLN  49           H        GLN  49   6.578   2.876  -4.507
  408    HA   GLN  49           HA       GLN  49   5.873   0.913  -6.649
  409   1HB   GLN  49          2HB       GLN  49   5.848   0.692  -3.636
  410   2HB   GLN  49          3HB       GLN  49   5.358  -0.601  -4.758
  411   1HG   GLN  49          2HG       GLN  49   8.190   0.566  -4.709
  412   2HG   GLN  49          3HG       GLN  49   7.680  -0.788  -3.735
  413   1HE2  GLN  49          1HE       GLN  49   9.423  -1.979  -4.939
  414   2HE2  GLN  49          2HE       GLN  49   8.939  -2.655  -6.502
  415    H    ALA  50           H        ALA  50   4.904   3.688  -5.554
  416    HA   ALA  50           HA       ALA  50   2.369   3.472  -4.423
  417   1HB   ALA  50          1HB       ALA  50   3.512   5.480  -6.374
  418   2HB   ALA  50          2HB       ALA  50   1.850   5.616  -5.756
  419   3HB   ALA  50          3HB       ALA  50   3.195   5.650  -4.619
  420    H    GLY  51           H        GLY  51   0.373   2.997  -5.119
  421   1HA   GLY  51          2HA       GLY  51  -1.234   1.934  -6.252
  422   2HA   GLY  51          3HA       GLY  51  -0.753   2.895  -7.660
  423    H    GLY  52           H        GLY  52   1.556   0.616  -6.166
  424   1HA   GLY  52          2HA       GLY  52   1.298  -1.290  -8.398
  425   2HA   GLY  52          3HA       GLY  52   2.801  -0.385  -8.092
  426    H    ASP  53           H        ASP  53   3.343  -2.948  -7.906
  427    HA   ASP  53           HA       ASP  53   2.459  -4.162  -5.454
  428   1HB   ASP  53          2HB       ASP  53   4.207  -5.901  -6.688
  429   2HB   ASP  53          3HB       ASP  53   2.453  -5.848  -6.816
  430    H    ALA  54           H        ALA  54   3.437  -3.129  -3.757
  431    HA   ALA  54           HA       ALA  54   6.369  -2.753  -3.848
  432   1HB   ALA  54          1HB       ALA  54   4.535  -1.175  -2.718
  433   2HB   ALA  54          2HB       ALA  54   4.764  -2.275  -1.351
  434   3HB   ALA  54          3HB       ALA  54   6.151  -1.390  -2.018
  435    H    THR  55           H        THR  55   4.353  -5.373  -3.243
  436    HA   THR  55           HA       THR  55   5.182  -6.519  -0.931
  437    HB   THR  55           HB       THR  55   4.706  -7.979  -3.571
  438    HG1  THR  55          1HG       THR  55   2.891  -6.979  -3.621
  439   1HG2  THR  55          1HG       THR  55   5.003  -9.641  -2.026
  440   2HG2  THR  55          2HG       THR  55   4.563  -8.592  -0.663
  441   3HG2  THR  55          3HG       THR  55   3.288  -9.281  -1.692
  442    H    GLU  56           H        GLU  56   6.931  -6.574  -4.045
  443    HA   GLU  56           HA       GLU  56   8.982  -8.381  -3.371
  444   1HB   GLU  56          2HB       GLU  56   8.650  -6.002  -5.165
  445   2HB   GLU  56          3HB       GLU  56  10.308  -6.494  -4.830
  446   1HG   GLU  56          2HG       GLU  56   8.244  -8.553  -5.677
  447   2HG   GLU  56          3HG       GLU  56   9.037  -7.529  -6.877
  448    H    ASN  57           H        ASN  57   8.676  -4.881  -2.513
  449    HA   ASN  57           HA       ASN  57  11.266  -4.835  -1.191
  450   1HB   ASN  57          2HB       ASN  57   8.893  -2.941  -1.382
  451   2HB   ASN  57          3HB       ASN  57  10.101  -2.717  -0.123
  452   1HD2  ASN  57          1HD       ASN  57  12.473  -2.880  -0.912
  453   2HD2  ASN  57          2HD       ASN  57  12.788  -2.008  -2.399
  454    H    PHE  58           H        PHE  58   8.017  -4.432   0.012
  455    HA   PHE  58           HA       PHE  58   8.276  -4.811   2.741
  456   1HB   PHE  58          2HB       PHE  58   6.104  -4.720   1.530
  457   2HB   PHE  58          3HB       PHE  58   6.231  -6.449   1.223
  458    HD1  PHE  58           HD1      PHE  58   6.331  -8.049   3.292
  459    HD2  PHE  58           HD2      PHE  58   5.114  -3.915   3.533
  460    HE1  PHE  58           HE1      PHE  58   5.190  -8.507   5.425
  461    HE2  PHE  58           HE2      PHE  58   3.952  -4.385   5.665
  462    HZ   PHE  58           HZ       PHE  58   3.993  -6.672   6.632
  463    H    GLU  59           H        GLU  59   8.539  -7.607   0.489
  464    HA   GLU  59           HA       GLU  59   9.082  -9.470   2.683
  465   1HB   GLU  59          2HB       GLU  59   8.548  -9.558  -0.262
  466   2HB   GLU  59          3HB       GLU  59   9.739 -10.727   0.231
  467   1HG   GLU  59          2HG       GLU  59   7.132 -10.522   1.754
  468   2HG   GLU  59          3HG       GLU  59   7.211 -11.370   0.206
  469    H    ASP  60           H        ASP  60  10.958  -7.855   0.054
  470    HA   ASP  60           HA       ASP  60  13.381  -9.222   0.226
  471   1HB   ASP  60          2HB       ASP  60  12.515  -6.652  -0.830
  472   2HB   ASP  60          3HB       ASP  60  13.925  -6.360   0.122
  473    H    VAL  61           H        VAL  61  12.105  -6.564   2.149
  474    HA   VAL  61           HA       VAL  61  14.350  -6.750   4.026
  475    HB   VAL  61           HB       VAL  61  13.569  -4.736   4.992
  476   1HG1  VAL  61          1HG       VAL  61  12.367  -3.779   2.500
  477   2HG1  VAL  61          2HG       VAL  61  13.894  -3.323   3.260
  478   3HG1  VAL  61          3HG       VAL  61  13.836  -4.701   2.157
  479   1HG2  VAL  61          1HG       VAL  61  10.891  -5.347   3.709
  480   2HG2  VAL  61          2HG       VAL  61  11.286  -5.358   5.447
  481   3HG2  VAL  61          3HG       VAL  61  11.287  -3.831   4.556
  482    H    GLY  62           H        GLY  62  10.932  -7.761   4.113
  483   1HA   GLY  62          2HA       GLY  62  10.348  -9.680   5.308
  484   2HA   GLY  62          3HA       GLY  62  12.013  -9.782   5.941
  485    H    HIS  63           HN       HIS  63   9.406  -7.371   5.893
  486    HA   HIS  63           HA       HIS  63  10.253  -5.807   7.891
  487   1HB   HIS  63          2HB       HIS  63   7.546  -6.393   6.720
  488   2HB   HIS  63          3HB       HIS  63   7.527  -5.486   8.205
  489    HD1  HIS  63           HND      HIS  63   8.895  -5.134   4.667
  490    HD2  HIS  63           HD       HIS  63   7.970  -2.900   8.092
  491    HE1  HIS  63           HE       HIS  63   8.975  -2.707   3.963
  492    H    SER  64           H        SER  64   9.519  -5.296  10.051
  493    HA   SER  64           HA       SER  64   9.416  -7.480  11.855
  494   1HB   SER  64          2HB       SER  64   8.720  -4.548  12.292
  495   2HB   SER  64          3HB       SER  64   9.351  -5.697  13.499
  496    HG   SER  64           HG       SER  64  10.949  -4.240  12.505
  497    H    THR  65           H        THR  65   7.643  -7.554  13.640
  498    HA   THR  65           HA       THR  65   5.152  -8.048  12.428
  499    HB   THR  65           HB       THR  65   6.100  -7.877  15.311
  500    HG1  THR  65          1HG       THR  65   6.480 -10.081  14.956
  501   1HG2  THR  65          1HG       THR  65   3.462  -8.428  14.233
  502   2HG2  THR  65          2HG       THR  65   4.122  -9.893  14.980
  503   3HG2  THR  65          3HG       THR  65   4.013  -8.383  15.917
  504    H    ASP  66           H        ASP  66   6.329  -5.345  14.505
  505    HA   ASP  66           HA       ASP  66   3.879  -4.066  14.982
  506   1HB   ASP  66          2HB       ASP  66   6.568  -3.606  15.520
  507   2HB   ASP  66          3HB       ASP  66   6.210  -2.293  14.405
  508    H    ALA  67           H        ALA  67   5.928  -4.114  12.125
  509    HA   ALA  67           HA       ALA  67   4.413  -2.088  10.659
  510   1HB   ALA  67          1HB       ALA  67   5.700  -3.311   8.723
  511   2HB   ALA  67          2HB       ALA  67   6.573  -2.328   9.902
  512   3HB   ALA  67          3HB       ALA  67   6.614  -4.068  10.072
  513    H    ARG  68           H        ARG  68   4.468  -5.712  10.842
  514    HA   ARG  68           HA       ARG  68   2.657  -6.119   8.785
  515   1HB   ARG  68          2HB       ARG  68   3.788  -7.798  10.587
  516   2HB   ARG  68          3HB       ARG  68   2.112  -7.816  11.146
  517   1HG   ARG  68          2HG       ARG  68   1.739  -9.308   9.451
  518   2HG   ARG  68          3HG       ARG  68   1.768  -7.926   8.381
  519   1HD   ARG  68          2HD       ARG  68   3.427  -9.091   7.331
  520   2HD   ARG  68          3HD       ARG  68   4.463  -8.377   8.578
  521    HE   ARG  68           HE       ARG  68   3.223 -10.777   9.524
  522   1HH1  ARG  68          2HH       ARG  68   5.888  -9.688   7.478
  523   2HH1  ARG  68          1HH       ARG  68   6.679 -11.219   7.413
  524   1HH2  ARG  68          2HH       ARG  68   4.277 -12.815   9.517
  525   2HH2  ARG  68          1HH       ARG  68   5.756 -13.032   8.656
  526    H    GLU  69           H        GLU  69   2.185  -4.798  12.106
  527    HA   GLU  69           HA       GLU  69  -0.677  -5.092  12.292
  528   1HB   GLU  69          2HB       GLU  69   1.459  -3.724  13.931
  529   2HB   GLU  69          3HB       GLU  69  -0.189  -3.136  14.074
  530   1HG   GLU  69          2HG       GLU  69  -0.774  -5.698  14.338
  531   2HG   GLU  69          3HG       GLU  69   0.927  -5.828  14.810
  532    H    LEU  70           H        LEU  70   1.356  -2.080  11.754
  533    HA   LEU  70           HA       LEU  70  -0.852  -0.441  11.336
  534   1HB   LEU  70          2HB       LEU  70   2.051  -0.462  10.562
  535   2HB   LEU  70          3HB       LEU  70   1.004   0.631   9.739
  536    HG   LEU  70           HG       LEU  70   1.921   1.957  11.347
  537   1HD1  LEU  70          1HD       LEU  70  -0.561   1.042  12.825
  538   2HD1  LEU  70          2HD       LEU  70   0.200   2.645  12.842
  539   3HD1  LEU  70          3HD       LEU  70  -0.600   2.082  11.366
  540   1HD2  LEU  70          1HD       LEU  70   2.178   1.276  13.695
  541   2HD2  LEU  70          2HD       LEU  70   1.431  -0.297  13.306
  542   3HD2  LEU  70          3HD       LEU  70   2.986   0.166  12.564
  543    H    SER  71           H        SER  71   0.638  -2.726   9.057
  544    HA   SER  71           HA       SER  71  -0.831  -2.211   6.658
  545   1HB   SER  71          2HB       SER  71   0.464  -3.927   6.220
  546   2HB   SER  71          3HB       SER  71   0.591  -4.416   7.896
  547    HG   SER  71           HG       SER  71  -0.372  -6.025   6.850
  548    H    LYS  72           H        LYS  72  -2.097  -3.760   9.617
  549    HA   LYS  72           HA       LYS  72  -4.609  -4.292   8.392
  550   1HB   LYS  72          2HB       LYS  72  -3.329  -4.930  10.793
  551   2HB   LYS  72          3HB       LYS  72  -4.526  -3.767  11.318
  552   1HG   LYS  72          2HG       LYS  72  -5.649  -5.841  11.426
  553   2HG   LYS  72          3HG       LYS  72  -6.217  -5.180   9.887
  554   1HD   LYS  72          2HD       LYS  72  -5.324  -6.930   8.744
  555   2HD   LYS  72          3HD       LYS  72  -3.728  -6.676   9.474
  556   1HE   LYS  72          2HE       LYS  72  -4.319  -7.907  11.453
  557   2HE   LYS  72          3HE       LYS  72  -6.014  -8.028  10.959
  558   1HZ   LYS  72          1HZ       LYS  72  -4.047  -9.137   9.143
  559   2HZ   LYS  72          2HZ       LYS  72  -4.282  -9.944  10.556
  560   3HZ   LYS  72          3HZ       LYS  72  -5.552  -9.690   9.546
  561    H    THR  73           H        THR  73  -3.302  -1.369   9.951
  562    HA   THR  73           HA       THR  73  -5.981  -0.113   9.805
  563    HB   THR  73           HB       THR  73  -4.340   0.006  11.848
  564    HG1  THR  73          1HG       THR  73  -5.317   2.486  11.242
  565   1HG2  THR  73          1HG       THR  73  -3.478   2.553  10.437
  566   2HG2  THR  73          2HG       THR  73  -2.929   1.874  11.979
  567   3HG2  THR  73          3HG       THR  73  -2.486   1.094  10.448
  568    H    PHE  74           H        PHE  74  -3.595  -0.646   7.626
  569    HA   PHE  74           HA       PHE  74  -3.812   2.043   6.327
  570   1HB   PHE  74          2HB       PHE  74  -1.981  -0.344   6.076
  571   2HB   PHE  74          3HB       PHE  74  -2.007   0.959   4.874
  572    HD1  PHE  74           HD1      PHE  74  -2.505   2.539   8.016
  573    HD2  PHE  74           HD2      PHE  74   0.439   0.515   5.585
  574    HE1  PHE  74           HE1      PHE  74  -0.700   3.524   9.376
  575    HE2  PHE  74           HE2      PHE  74   2.226   1.587   6.869
  576    HZ   PHE  74           HZ       PHE  74   1.646   2.949   8.866
  577    H    ILE  75           H        ILE  75  -4.911  -1.378   6.048
  578    HA   ILE  75           HA       ILE  75  -5.436  -1.219   3.319
  579    HB   ILE  75           HB       ILE  75  -5.750  -3.094   5.356
  580   1HG1  ILE  75          2HG       ILE  75  -6.664  -4.490   3.474
  581   2HG1  ILE  75          3HG       ILE  75  -6.739  -2.994   2.513
  582   1HG2  ILE  75          1HG       ILE  75  -8.036  -3.883   5.275
  583   2HG2  ILE  75          2HG       ILE  75  -8.037  -2.226   5.910
  584   3HG2  ILE  75          3HG       ILE  75  -8.508  -2.550   4.210
  585   1HD1  ILE  75          1HD       ILE  75  -4.602  -3.422   1.938
  586   2HD1  ILE  75          2HD       ILE  75  -4.164  -2.985   3.590
  587   3HD1  ILE  75          3HD       ILE  75  -4.460  -4.688   3.197
  588    H    ILE  76           H        ILE  76  -6.843  -0.150   2.155
  589    HA   ILE  76           HA       ILE  76  -9.169   1.165   3.493
  590    HB   ILE  76           HB       ILE  76  -8.986   2.950   1.820
  591   1HG1  ILE  76          2HG       ILE  76  -6.557   3.022   0.662
  592   2HG1  ILE  76          3HG       ILE  76  -6.631   1.317   0.803
  593   1HG2  ILE  76          1HG       ILE  76  -7.947   3.210   4.014
  594   2HG2  ILE  76          2HG       ILE  76  -6.423   2.549   3.387
  595   3HG2  ILE  76          3HG       ILE  76  -7.058   4.082   2.756
  596   1HD1  ILE  76          1HD       ILE  76  -8.790   1.455  -0.503
  597   2HD1  ILE  76          2HD       ILE  76  -8.681   3.229  -0.401
  598   3HD1  ILE  76          3HD       ILE  76  -7.477   2.321  -1.325
  599    H    GLY  77           H        GLY  77  -8.241  -1.358   1.408
  600   1HA   GLY  77          2HA       GLY  77 -10.855  -1.876   0.491
  601   2HA   GLY  77          3HA       GLY  77  -9.925  -1.072  -0.784
  602    H    GLU  78           H        GLU  78 -10.472  -3.362  -1.697
  603    HA   GLU  78           HA       GLU  78  -7.992  -4.861  -1.407
  604   1HB   GLU  78          2HB       GLU  78 -10.185  -5.830  -0.048
  605   2HB   GLU  78          3HB       GLU  78 -10.403  -6.601  -1.626
  606   1HG   GLU  78          2HG       GLU  78  -7.971  -7.290  -1.451
  607   2HG   GLU  78          3HG       GLU  78  -7.986  -6.688   0.215
  608    H    LEU  79           H        LEU  79  -7.662  -6.223  -3.386
  609    HA   LEU  79           HA       LEU  79  -8.442  -4.920  -5.780
  610   1HB   LEU  79          2HB       LEU  79  -6.970  -7.393  -4.922
  611   2HB   LEU  79          3HB       LEU  79  -7.764  -7.501  -6.496
  612    HG   LEU  79           HG       LEU  79  -6.718  -5.498  -7.259
  613   1HD1  LEU  79          1HD       LEU  79  -4.881  -5.324  -4.875
  614   2HD1  LEU  79          2HD       LEU  79  -5.214  -4.153  -6.173
  615   3HD1  LEU  79          3HD       LEU  79  -6.408  -4.432  -4.912
  616   1HD2  LEU  79          1HD       LEU  79  -5.511  -7.723  -7.460
  617   2HD2  LEU  79          2HD       LEU  79  -4.444  -6.302  -7.529
  618   3HD2  LEU  79          3HD       LEU  79  -4.559  -7.257  -6.042
  619    H    HIS  80           H        HIS  80 -10.304  -4.983  -6.867
  620    HA   HIS  80           HA       HIS  80 -12.641  -5.992  -6.074
  621   1HB   HIS  80          2HB       HIS  80 -11.538  -5.382  -8.774
  622   2HB   HIS  80          3HB       HIS  80 -12.948  -6.437  -8.784
  623    HD1  HIS  80           HD1      HIS  80 -14.569  -4.571  -9.778
  624    HD2  HIS  80           HD2      HIS  80 -12.646  -3.664  -6.158
  625    HE1  HIS  80           HE1      HIS  80 -15.724  -2.480  -8.834
  626    HA   PRO  81           HA       PRO  81 -12.456 -10.297  -6.179
  627   1HB   PRO  81          2HB       PRO  81 -15.140 -11.000  -6.104
  628   2HB   PRO  81          3HB       PRO  81 -14.218 -10.355  -4.713
  629   1HG   PRO  81          2HG       PRO  81 -16.148  -8.919  -6.516
  630   2HG   PRO  81          3HG       PRO  81 -15.840  -8.685  -4.767
  631   1HD   PRO  81          2HD       PRO  81 -14.807  -7.096  -6.842
  632   2HD   PRO  81          3HD       PRO  81 -14.148  -7.191  -5.184
  633    H    ASP  82           H        ASP  82 -14.197  -8.622  -8.727
  634    HA   ASP  82           HA       ASP  82 -14.285 -10.943 -10.515
  635   1HB   ASP  82          2HB       ASP  82 -15.008  -8.010 -10.614
  636   2HB   ASP  82          3HB       ASP  82 -14.536  -8.740 -12.142
  637    H    ASP  83           H        ASP  83 -11.809  -8.993  -9.336
  638    HA   ASP  83           HA       ASP  83 -10.080  -9.484 -11.680
  639   1HB   ASP  83          2HB       ASP  83 -10.661  -6.972 -10.145
  640   2HB   ASP  83          3HB       ASP  83  -9.030  -7.222 -10.753
  641    H    ARG  84           H        ARG  84 -10.576 -10.828  -8.897
  642    HA   ARG  84           HA       ARG  84  -7.775 -10.599  -7.881
  643   1HB   ARG  84          2HB       ARG  84  -8.518 -11.688  -5.896
  644   2HB   ARG  84          3HB       ARG  84  -9.743 -10.478  -6.314
  645   1HG   ARG  84          2HG       ARG  84 -11.023 -12.336  -7.483
  646   2HG   ARG  84          3HG       ARG  84  -9.868 -13.487  -6.807
  647   1HD   ARG  84          2HD       ARG  84 -10.620 -13.167  -4.608
  648   2HD   ARG  84          3HD       ARG  84 -11.336 -11.599  -4.977
  649    HE   ARG  84           HE       ARG  84 -13.251 -12.592  -5.664
  650   1HH1  ARG  84          2HH       ARG  84 -10.711 -15.057  -5.829
  651   2HH1  ARG  84          1HH       ARG  84 -11.774 -16.348  -6.234
  652   1HH2  ARG  84          2HH       ARG  84 -14.692 -14.304  -6.195
  653   2HH2  ARG  84          1HH       ARG  84 -14.105 -15.909  -6.431
  654    H    SER  85           H        SER  85  -9.953 -12.893  -9.457
  655    HA   SER  85           HA       SER  85  -7.682 -14.791  -9.845
  656   1HB   SER  85          2HB       SER  85 -10.435 -15.346  -8.679
  657   2HB   SER  85          3HB       SER  85  -9.456 -16.623  -9.424
  658    HG   SER  85           HG       SER  85  -7.829 -16.177  -7.927
  659    H    LYS  86           H        LYS  86  -8.694 -12.798 -11.639
  660    HA   LYS  86           HA       LYS  86  -9.224 -14.558 -13.852
  661   1HB   LYS  86          2HB       LYS  86 -11.519 -13.172 -12.618
  662   2HB   LYS  86          3HB       LYS  86 -11.283 -12.669 -14.288
  663   1HG   LYS  86          2HG       LYS  86 -11.034 -15.297 -14.736
  664   2HG   LYS  86          3HG       LYS  86 -11.959 -15.392 -13.220
  665   1HD   LYS  86          2HD       LYS  86 -13.485 -13.580 -14.346
  666   2HD   LYS  86          3HD       LYS  86 -12.689 -14.062 -15.854
  667   1HE   LYS  86          2HE       LYS  86 -13.931 -15.931 -16.016
  668   2HE   LYS  86          3HE       LYS  86 -13.509 -16.428 -14.370
  669   1HZ   LYS  86          1HZ       LYS  86 -15.262 -15.086 -13.520
  670   2HZ   LYS  86          2HZ       LYS  86 -15.601 -14.444 -14.995
  671   3HZ   LYS  86          3HZ       LYS  86 -15.902 -16.037 -14.703
  672    H    LEU  87           H        LEU  87  -9.937 -11.076 -13.247
  673    HA   LEU  87           HA       LEU  87  -9.199  -9.218 -14.285
  674   1HB   LEU  87          2HB       LEU  87  -6.537 -10.687 -14.464
  675   2HB   LEU  87          3HB       LEU  87  -6.795  -8.963 -14.690
  676    HG   LEU  87           HG       LEU  87  -8.067  -9.634 -12.245
  677   1HD1  LEU  87          1HD       LEU  87  -5.188 -10.546 -12.101
  678   2HD1  LEU  87          2HD       LEU  87  -6.466 -10.708 -10.887
  679   3HD1  LEU  87          3HD       LEU  87  -6.521 -11.692 -12.360
  680   1HD2  LEU  87          1HD       LEU  87  -6.989  -7.495 -12.953
  681   2HD2  LEU  87          2HD       LEU  87  -6.559  -7.998 -11.310
  682   3HD2  LEU  87          3HD       LEU  87  -5.399  -8.225 -12.641
  683    H    SER  88           H        SER  88 -10.554 -11.169 -15.933
  684    HA   SER  88           HA       SER  88  -9.683 -10.161 -18.540
  685   1HB   SER  88          2HB       SER  88  -8.266 -12.207 -18.076
  686   2HB   SER  88          3HB       SER  88  -9.752 -13.169 -18.048
  687    HG   SER  88           HG       SER  88 -10.110 -12.646 -20.172
  688    H    LYS  89           H        LYS  89 -11.848  -9.137 -18.365
  689    HA   LYS  89           HA       LYS  89 -13.783 -10.855 -19.600
  690   1HB   LYS  89          2HB       LYS  89 -15.596 -10.531 -17.976
  691   2HB   LYS  89          3HB       LYS  89 -14.278 -11.433 -17.268
  692   1HG   LYS  89          2HG       LYS  89 -13.976  -9.917 -15.624
  693   2HG   LYS  89          3HG       LYS  89 -13.896  -8.573 -16.763
  694   1HD   LYS  89          2HD       LYS  89 -16.455  -8.734 -16.930
  695   2HD   LYS  89          3HD       LYS  89 -16.379  -9.814 -15.524
  696   1HE   LYS  89          2HE       LYS  89 -15.131  -7.997 -14.288
  697   2HE   LYS  89          3HE       LYS  89 -15.315  -6.962 -15.721
  698   1HZ   LYS  89          1HZ       LYS  89 -17.781  -7.427 -15.398
  699   2HZ   LYS  89          2HZ       LYS  89 -17.369  -7.933 -13.863
  700   3HZ   LYS  89          3HZ       LYS  89 -17.060  -6.390 -14.344
  701    HA   PRO  90           HA       PRO  90 -14.737  -6.777 -21.158
  702   1HB   PRO  90          2HB       PRO  90 -17.250  -7.173 -22.273
  703   2HB   PRO  90          3HB       PRO  90 -15.725  -7.770 -22.973
  704   1HG   PRO  90          2HG       PRO  90 -17.820  -9.283 -21.457
  705   2HG   PRO  90          3HG       PRO  90 -16.746  -9.834 -22.778
  706   1HD   PRO  90          2HD       PRO  90 -16.383 -10.276 -20.010
  707   2HD   PRO  90          3HD       PRO  90 -15.147 -10.510 -21.282
  708    H    MET  91           H        MET  91 -17.090  -5.369 -21.223
  709    HA   MET  91           HA       MET  91 -17.910  -5.221 -18.360
  710   1HB   MET  91          2HB       MET  91 -16.282  -3.454 -19.089
  711   2HB   MET  91          3HB       MET  91 -17.489  -2.847 -20.225
  712   1HG   MET  91          2HG       MET  91 -18.432  -3.270 -17.423
  713   2HG   MET  91          3HG       MET  91 -17.189  -2.035 -17.616
  714   1HE   MET  91          1HE       MET  91 -21.368  -1.068 -17.639
  715   2HE   MET  91          2HE       MET  91 -20.767  -2.720 -17.409
  716   3HE   MET  91          3HE       MET  91 -20.105  -1.389 -16.423
  717    H    GLU  92           H        GLU  92 -18.866  -3.946 -21.567
  718    HA   GLU  92           HA       GLU  92 -20.712  -3.851 -22.708
  719   1HB   GLU  92          2HB       GLU  92 -20.849  -6.346 -22.281
  720   2HB   GLU  92          3HB       GLU  92 -21.952  -6.002 -20.944
  721   1HG   GLU  92          2HG       GLU  92 -23.228  -6.598 -22.920
  722   2HG   GLU  92          3HG       GLU  92 -23.523  -4.902 -22.534
  723    H    THR  93           H        THR  93 -22.598  -2.564 -22.769
  724    HA   THR  93           HA       THR  93 -23.690  -1.715 -20.153
  725    HB   THR  93           HB       THR  93 -22.305   0.159 -22.111
  726    HG1  THR  93          1HG       THR  93 -21.011   0.550 -20.365
  727   1HG2  THR  93          1HG       THR  93 -24.441   1.206 -21.296
  728   2HG2  THR  93          2HG       THR  93 -23.922   0.888 -19.622
  729   3HG2  THR  93          3HG       THR  93 -23.005   2.008 -20.655
  730    H    LEU  94           H        LEU  94 -25.787  -1.626 -20.323
  731    HA   LEU  94           HA       LEU  94 -27.883  -1.542 -21.052
  732   1HB   LEU  94          2HB       LEU  94 -27.253   0.785 -21.681
  733   2HB   LEU  94          3HB       LEU  94 -26.790   0.211 -23.283
  734    HG   LEU  94           HG       LEU  94 -29.181  -0.410 -23.725
  735   1HD1  LEU  94          1HD       LEU  94 -30.910   0.000 -22.255
  736   2HD1  LEU  94          2HD       LEU  94 -29.677  -0.454 -21.081
  737   3HD1  LEU  94          3HD       LEU  94 -30.023   1.260 -21.366
  738   1HD2  LEU  94          1HD       LEU  94 -28.277   1.682 -24.495
  739   2HD2  LEU  94          2HD       LEU  94 -29.949   1.910 -23.953
  740   3HD2  LEU  94          3HD       LEU  94 -28.598   2.452 -22.926
  741    HHA  HEM  95          MHG       HEM  95  11.735  -0.430   9.036
  742    HHB  HEM  95          MHD       HEM  95   5.335  -0.097   9.563
  743    HHC  HEM  95          MHA       HEM  95   4.866  -0.806   3.187
  744    HHD  HEM  95          MHB       HEM  95  11.246   0.048   2.635
  745   1HMA  HEM  95          1HM       HEM  95   7.785  -0.397  12.545
  746   2HMA  HEM  95          2HM       HEM  95   6.653   0.723  11.776
  747   3HMA  HEM  95          3HM       HEM  95   6.389  -1.020  11.675
  748   1HAA  HEM  95          1HP       HEM  95  10.903  -1.613  10.997
  749   2HAA  HEM  95          2HP       HEM  95   9.849  -1.061  12.278
  750   1HBA  HEM  95          3HP       HEM  95  10.812   1.026  12.430
  751   2HBA  HEM  95          4HP       HEM  95  11.266   1.070  10.726
  752   1HMB  HEM  95          1HM       HEM  95   3.269  -1.253   8.878
  753   2HMB  HEM  95          2HM       HEM  95   3.024   0.470   8.636
  754   3HMB  HEM  95          3HM       HEM  95   2.061  -0.718   7.701
  755    HAB  HEM  95          AHT       HEM  95   2.742  -0.577   3.972
  756   1HBB  HEM  95          CHV       HEM  95   2.101  -2.488   6.246
  757   2HBB  HEM  95          THV       HEM  95   1.048  -2.074   4.755
  758   1HMC  HEM  95          1HM       HEM  95   5.493  -1.560   1.256
  759   2HMC  HEM  95          2HM       HEM  95   5.896  -0.081   0.365
  760   3HMC  HEM  95          3HM       HEM  95   6.829  -1.596   0.131
  761    HAC  HEM  95          AHT       HEM  95  10.476  -0.318   0.582
  762   1HBC  HEM  95          THV       HEM  95   9.551   0.374  -1.480
  763   2HBC  HEM  95          CHV       HEM  95   7.824   0.239  -0.829
  764   1HMD  HEM  95          1HM       HEM  95  13.385   1.250   3.600
  765   2HMD  HEM  95          2HM       HEM  95  14.519   0.295   4.577
  766   3HMD  HEM  95          3HM       HEM  95  13.526  -0.504   3.350
  767   1HAD  HEM  95          1HP       HEM  95  13.492   0.808   8.159
  768   2HAD  HEM  95          2HP       HEM  95  14.520   0.761   6.746
  769   1HBD  HEM  95          3HP       HEM  95  13.633  -1.711   8.307
  770   2HBD  HEM  95          4HP       HEM  95  15.156  -0.859   8.561
  Start of MODEL    2
    1   1H    ASP   1           H1       ASP   1 -13.709  -4.600  11.612
    2   2H    ASP   1           H2       ASP   1 -14.037  -3.083  12.178
    3   3H    ASP   1           H3       ASP   1 -15.172  -4.260  12.308
    4    HA   ASP   1           HA       ASP   1 -14.358  -2.637  10.121
    5   1HB   ASP   1          2HB       ASP   1 -16.475  -2.269   9.593
    6   2HB   ASP   1          3HB       ASP   1 -17.048  -3.891   9.938
    7    H    LYS   2           H        LYS   2 -16.356  -4.945   8.623
    8    HA   LYS   2           HA       LYS   2 -13.898  -6.213   7.529
    9   1HB   LYS   2          2HB       LYS   2 -15.366  -7.619   6.187
   10   2HB   LYS   2          3HB       LYS   2 -15.595  -7.889   7.905
   11   1HG   LYS   2          2HG       LYS   2 -17.483  -5.868   7.022
   12   2HG   LYS   2          3HG       LYS   2 -17.564  -7.243   5.915
   13   1HD   LYS   2          2HD       LYS   2 -18.111  -8.761   7.726
   14   2HD   LYS   2          3HD       LYS   2 -17.665  -7.544   8.939
   15   1HE   LYS   2          2HE       LYS   2 -19.909  -7.139   8.987
   16   2HE   LYS   2          3HE       LYS   2 -19.475  -6.072   7.648
   17   1HZ   LYS   2          1HZ       LYS   2 -20.013  -8.060   6.195
   18   2HZ   LYS   2          2HZ       LYS   2 -20.739  -8.718   7.522
   19   3HZ   LYS   2          3HZ       LYS   2 -21.280  -7.293   6.912
   20    H    ASP   3           H        ASP   3 -13.498  -3.794   7.190
   21    HA   ASP   3           HA       ASP   3 -15.050  -2.433   5.210
   22   1HB   ASP   3          2HB       ASP   3 -12.240  -1.905   6.273
   23   2HB   ASP   3          3HB       ASP   3 -13.205  -0.791   5.293
   24    H    VAL   4           H        VAL   4 -15.157  -3.531   3.211
   25    HA   VAL   4           HA       VAL   4 -12.534  -3.988   1.879
   26    HB   VAL   4           HB       VAL   4 -14.846  -5.724   1.109
   27   1HG1  VAL   4          1HG       VAL   4 -13.185  -7.117   0.348
   28   2HG1  VAL   4          2HG       VAL   4 -12.382  -5.545   0.193
   29   3HG1  VAL   4          3HG       VAL   4 -12.037  -6.602   1.592
   30   1HG2  VAL   4          1HG       VAL   4 -14.100  -7.419   2.821
   31   2HG2  VAL   4          2HG       VAL   4 -13.212  -6.123   3.655
   32   3HG2  VAL   4          3HG       VAL   4 -14.988  -6.054   3.490
   33    H    LYS   5           H        LYS   5 -12.762  -1.798   1.029
   34    HA   LYS   5           HA       LYS   5 -15.017  -1.373  -0.828
   35   1HB   LYS   5          2HB       LYS   5 -12.754   0.303   0.212
   36   2HB   LYS   5          3HB       LYS   5 -13.336   0.662  -1.421
   37   1HG   LYS   5          2HG       LYS   5 -15.659   0.841  -0.598
   38   2HG   LYS   5          3HG       LYS   5 -15.090   0.516   1.052
   39   1HD   LYS   5          2HD       LYS   5 -15.239   2.863   0.988
   40   2HD   LYS   5          3HD       LYS   5 -13.521   2.559   0.687
   41   1HE   LYS   5          2HE       LYS   5 -14.030   2.678  -1.800
   42   2HE   LYS   5          3HE       LYS   5 -15.685   3.164  -1.396
   43   1HZ   LYS   5          1HZ       LYS   5 -14.893   5.168  -0.508
   44   2HZ   LYS   5          2HZ       LYS   5 -13.329   4.620  -0.418
   45   3HZ   LYS   5          3HZ       LYS   5 -13.985   4.962  -1.870
   46    H    TYR   6           H        TYR   6 -14.689  -3.193  -2.188
   47    HA   TYR   6           HA       TYR   6 -12.507  -3.952  -3.626
   48   1HB   TYR   6          2HB       TYR   6 -15.422  -3.822  -4.487
   49   2HB   TYR   6          3HB       TYR   6 -14.173  -4.670  -5.389
   50    HD1  TYR   6           HD1      TYR   6 -12.716  -6.404  -4.007
   51    HD2  TYR   6           HD2      TYR   6 -16.682  -5.082  -2.934
   52    HE1  TYR   6           HE1      TYR   6 -13.064  -8.488  -2.731
   53    HE2  TYR   6           HE2      TYR   6 -17.032  -7.150  -1.645
   54    HH   TYR   6           HH       TYR   6 -16.098  -9.178  -0.945
   55    H    TYR   7           H        TYR   7 -11.231  -2.151  -4.229
   56    HA   TYR   7           HA       TYR   7 -12.193  -0.128  -6.073
   57   1HB   TYR   7          2HB       TYR   7  -9.551  -0.944  -4.835
   58   2HB   TYR   7          3HB       TYR   7  -9.680   0.383  -5.908
   59    HD1  TYR   7           HD1      TYR   7  -9.542  -0.361  -2.541
   60    HD2  TYR   7           HD2      TYR   7 -11.821   2.048  -5.277
   61    HE1  TYR   7           HE1      TYR   7 -10.115   1.153  -0.695
   62    HE2  TYR   7           HE2      TYR   7 -12.437   3.573  -3.440
   63    HH   TYR   7           HH       TYR   7 -11.099   3.133  -0.128
   64    H    THR   8           H        THR   8 -11.499   0.083  -8.285
   65    HA   THR   8           HA       THR   8 -10.872  -2.496  -9.610
   66    HB   THR   8           HB       THR   8 -11.180  -0.884 -11.656
   67    HG1  THR   8          1HG       THR   8 -12.469   0.929 -11.091
   68   1HG2  THR   8          1HG       THR   8 -12.870  -2.639 -10.788
   69   2HG2  THR   8          2HG       THR   8 -13.634  -1.294  -9.908
   70   3HG2  THR   8          3HG       THR   8 -13.548  -1.260 -11.674
   71    H    LEU   9           H        LEU   9  -9.015  -2.642 -11.068
   72    HA   LEU   9           HA       LEU   9  -6.611  -1.725 -10.012
   73   1HB   LEU   9          2HB       LEU   9  -7.072  -2.318 -12.964
   74   2HB   LEU   9          3HB       LEU   9  -5.544  -2.297 -12.103
   75    HG   LEU   9           HG       LEU   9  -6.040  -4.546 -12.322
   76   1HD1  LEU   9          1HD       LEU   9  -7.104  -3.881  -9.543
   77   2HD1  LEU   9          2HD       LEU   9  -6.333  -5.388 -10.065
   78   3HD1  LEU   9          3HD       LEU   9  -5.381  -3.888  -9.996
   79   1HD2  LEU   9          1HD       LEU   9  -8.729  -4.622 -11.046
   80   2HD2  LEU   9          2HD       LEU   9  -8.660  -3.908 -12.686
   81   3HD2  LEU   9          3HD       LEU   9  -8.052  -5.527 -12.397
   82    H    GLU  10           H        GLU  10  -8.384  -0.261 -12.763
   83    HA   GLU  10           HA       GLU  10  -6.629   1.883 -13.253
   84   1HB   GLU  10          2HB       GLU  10  -9.424   1.144 -13.850
   85   2HB   GLU  10          3HB       GLU  10  -9.207   2.891 -13.721
   86   1HG   GLU  10          2HG       GLU  10  -7.584   2.966 -15.432
   87   2HG   GLU  10          3HG       GLU  10  -7.260   1.226 -15.346
   88    H    GLU  11           H        GLU  11  -9.014   1.457 -10.653
   89    HA   GLU  11           HA       GLU  11  -8.878   4.174  -9.756
   90   1HB   GLU  11          2HB       GLU  11 -10.660   2.305  -9.266
   91   2HB   GLU  11          3HB       GLU  11  -9.565   1.821  -7.970
   92   1HG   GLU  11          2HG       GLU  11 -11.368   3.299  -7.205
   93   2HG   GLU  11          3HG       GLU  11  -9.772   3.955  -6.898
   94    H    ILE  12           H        ILE  12  -7.192   1.088  -8.611
   95    HA   ILE  12           HA       ILE  12  -5.692   2.507  -6.691
   96    HB   ILE  12           HB       ILE  12  -4.942  -0.018  -8.242
   97   1HG1  ILE  12          2HG       ILE  12  -5.651  -0.547  -5.570
   98   2HG1  ILE  12          3HG       ILE  12  -6.822   0.656  -6.068
   99   1HG2  ILE  12          1HG       ILE  12  -2.912   0.747  -7.279
  100   2HG2  ILE  12          2HG       ILE  12  -3.720   1.380  -5.820
  101   3HG2  ILE  12          3HG       ILE  12  -3.551  -0.362  -6.067
  102   1HD1  ILE  12          1HD       ILE  12  -6.306  -2.125  -7.121
  103   2HD1  ILE  12          2HD       ILE  12  -7.856  -1.345  -6.700
  104   3HD1  ILE  12          3HD       ILE  12  -6.994  -0.913  -8.185
  105    H    LYS  13           H        LYS  13  -5.119   2.200 -10.175
  106    HA   LYS  13           HA       LYS  13  -2.501   3.522  -9.996
  107   1HB   LYS  13          2HB       LYS  13  -4.272   2.628 -12.300
  108   2HB   LYS  13          3HB       LYS  13  -2.728   3.453 -12.556
  109   1HG   LYS  13          2HG       LYS  13  -1.499   1.612 -12.036
  110   2HG   LYS  13          3HG       LYS  13  -2.426   1.320 -10.576
  111   1HD   LYS  13          2HD       LYS  13  -3.008  -0.594 -11.610
  112   2HD   LYS  13          3HD       LYS  13  -4.247   0.423 -12.331
  113   1HE   LYS  13          2HE       LYS  13  -3.431  -0.567 -14.219
  114   2HE   LYS  13          3HE       LYS  13  -2.444   0.903 -14.173
  115   1HZ   LYS  13          1HZ       LYS  13  -0.757  -0.479 -12.985
  116   2HZ   LYS  13          2HZ       LYS  13  -1.672  -1.809 -13.291
  117   3HZ   LYS  13          3HZ       LYS  13  -1.030  -0.955 -14.540
  118    H    LYS  14           H        LYS  14  -5.436   4.769  -9.455
  119    HA   LYS  14           HA       LYS  14  -4.969   7.391 -10.737
  120   1HB   LYS  14          2HB       LYS  14  -7.344   5.887  -9.974
  121   2HB   LYS  14          3HB       LYS  14  -7.295   7.353  -9.011
  122   1HG   LYS  14          2HG       LYS  14  -8.448   8.007 -10.935
  123   2HG   LYS  14          3HG       LYS  14  -6.796   8.545 -11.303
  124   1HD   LYS  14          2HD       LYS  14  -6.474   6.243 -12.430
  125   2HD   LYS  14          3HD       LYS  14  -8.215   6.003 -12.190
  126   1HE   LYS  14          2HE       LYS  14  -8.152   8.522 -13.321
  127   2HE   LYS  14          3HE       LYS  14  -6.761   7.765 -14.113
  128   1HZ   LYS  14          1HZ       LYS  14  -8.806   7.428 -15.349
  129   2HZ   LYS  14          2HZ       LYS  14  -8.242   5.975 -14.815
  130   3HZ   LYS  14          3HZ       LYS  14  -9.514   6.689 -14.061
  131    H    HIS  15           H        HIS  15  -4.214   5.747  -7.771
  132    HA   HIS  15           HA       HIS  15  -3.751   8.424  -6.567
  133   1HB   HIS  15          2HB       HIS  15  -4.356   6.366  -4.594
  134   2HB   HIS  15          3HB       HIS  15  -4.849   8.040  -4.744
  135    HD1  HIS  15           HD1      HIS  15  -7.322   8.522  -5.347
  136    HD2  HIS  15           HD2      HIS  15  -5.959   4.630  -6.139
  137    HE1  HIS  15           HE1      HIS  15  -9.385   7.124  -6.023
  138    H    ASN  16           H        ASN  16  -1.675   8.550  -6.840
  139    HA   ASN  16           HA       ASN  16   0.061   6.728  -5.436
  140   1HB   ASN  16          2HB       ASN  16   1.495   6.221  -7.488
  141   2HB   ASN  16          3HB       ASN  16  -0.068   5.434  -7.434
  142   1HD2  ASN  16          1HD       ASN  16  -1.756   6.119  -8.836
  143   2HD2  ASN  16          2HD       ASN  16  -1.401   7.027 -10.289
  144    H    HIS  17           H        HIS  17  -0.549   9.509  -5.177
  145    HA   HIS  17           HA       HIS  17   2.028  10.772  -6.029
  146   1HB   HIS  17          2HB       HIS  17  -0.628  12.186  -5.709
  147   2HB   HIS  17          3HB       HIS  17   0.867  12.839  -6.385
  148    HD1  HIS  17           HD1      HIS  17   1.510  11.912  -8.918
  149    HD2  HIS  17           HD2      HIS  17  -2.184  10.673  -7.300
  150    HE1  HIS  17           HE1      HIS  17   0.179  10.868 -10.825
  151    H    SER  18           H        SER  18   2.435  12.784  -4.543
  152    HA   SER  18           HA       SER  18   2.584  11.987  -1.817
  153   1HB   SER  18          2HB       SER  18   3.094  14.616  -3.267
  154   2HB   SER  18          3HB       SER  18   3.590  14.263  -1.593
  155    HG   SER  18           HG       SER  18   5.305  13.678  -2.854
  156    H    LYS  19           H        LYS  19   0.209  11.610  -1.686
  157    HA   LYS  19           HA       LYS  19  -1.285  13.220  -0.068
  158   1HB   LYS  19          2HB       LYS  19  -1.352  14.903  -1.985
  159   2HB   LYS  19          3HB       LYS  19  -2.186  13.693  -2.946
  160   1HG   LYS  19          2HG       LYS  19  -4.158  14.077  -1.886
  161   2HG   LYS  19          3HG       LYS  19  -3.423  14.115  -0.280
  162   1HD   LYS  19          2HD       LYS  19  -3.121  16.471  -2.165
  163   2HD   LYS  19          3HD       LYS  19  -4.531  16.245  -1.125
  164   1HE   LYS  19          2HE       LYS  19  -3.346  17.381   0.404
  165   2HE   LYS  19          3HE       LYS  19  -2.648  15.799   0.746
  166   1HZ   LYS  19          1HZ       LYS  19  -0.747  16.371  -0.585
  167   2HZ   LYS  19          2HZ       LYS  19  -1.449  17.778  -1.089
  168   3HZ   LYS  19          3HZ       LYS  19  -1.018  17.595   0.481
  169    H    SER  20           H        SER  20  -1.229  10.725  -2.657
  170    HA   SER  20           HA       SER  20  -3.156   9.244  -1.029
  171   1HB   SER  20          2HB       SER  20  -4.552   8.741  -2.940
  172   2HB   SER  20          3HB       SER  20  -4.628  10.436  -2.509
  173    HG   SER  20           HG       SER  20  -3.603  11.059  -4.229
  174    H    THR  21           H        THR  21  -0.647   8.684  -0.903
  175    HA   THR  21           HA       THR  21   0.389   6.828  -2.817
  176    HB   THR  21           HB       THR  21   0.848   7.307   0.159
  177    HG1  THR  21          1HG       THR  21   2.026   8.336  -2.194
  178   1HG2  THR  21          1HG       THR  21   3.143   6.378  -0.380
  179   2HG2  THR  21          2HG       THR  21   1.827   5.205  -0.249
  180   3HG2  THR  21          3HG       THR  21   2.411   5.675  -1.851
  181    H    TRP  22           H        TRP  22  -1.604   5.572  -3.276
  182    HA   TRP  22           HA       TRP  22  -2.263   3.584  -1.171
  183   1HB   TRP  22          2HB       TRP  22  -3.154   4.098  -4.014
  184   2HB   TRP  22          3HB       TRP  22  -3.519   2.571  -3.222
  185    HD1  TRP  22           HD1      TRP  22  -3.707   5.229  -0.666
  186    HE1  TRP  22           HE1      TRP  22  -6.006   5.948  -0.206
  187    HE3  TRP  22           HE3      TRP  22  -5.933   2.634  -4.426
  188    HZ2  TRP  22           HZ2      TRP  22  -8.703   5.553  -1.490
  189    HZ3  TRP  22           HZ3      TRP  22  -8.392   2.771  -4.768
  190    HH2  TRP  22           HH2      TRP  22  -9.748   4.275  -3.371
  191    H    LEU  23           H        LEU  23  -2.157   1.262  -2.008
  192    HA   LEU  23           HA       LEU  23  -0.417   0.475  -4.058
  193   1HB   LEU  23          2HB       LEU  23   1.430  -0.494  -2.604
  194   2HB   LEU  23          3HB       LEU  23   1.470   1.221  -2.908
  195    HG   LEU  23           HG       LEU  23   0.238   1.439  -0.546
  196   1HD1  LEU  23          1HD       LEU  23   1.692  -1.157  -0.217
  197   2HD1  LEU  23          2HD       LEU  23   0.681  -0.293   0.970
  198   3HD1  LEU  23          3HD       LEU  23  -0.069  -1.096  -0.428
  199   1HD2  LEU  23          1HD       LEU  23   2.622   1.073   0.479
  200   2HD2  LEU  23          2HD       LEU  23   3.133   0.777  -1.175
  201   3HD2  LEU  23          3HD       LEU  23   2.406   2.343  -0.744
  202    H    ILE  24           H        ILE  24  -0.024  -2.007  -3.852
  203    HA   ILE  24           HA       ILE  24  -2.363  -3.166  -2.444
  204    HB   ILE  24           HB       ILE  24  -0.917  -4.316  -4.858
  205   1HG1  ILE  24          2HG       ILE  24  -3.535  -3.456  -5.579
  206   2HG1  ILE  24          3HG       ILE  24  -2.833  -2.096  -4.749
  207   1HG2  ILE  24          1HG       ILE  24  -2.245  -5.847  -3.348
  208   2HG2  ILE  24          2HG       ILE  24  -3.694  -4.929  -3.819
  209   3HG2  ILE  24          3HG       ILE  24  -2.756  -5.802  -5.047
  210   1HD1  ILE  24          1HD       ILE  24  -2.166  -3.319  -7.380
  211   2HD1  ILE  24          2HD       ILE  24  -1.958  -1.642  -6.843
  212   3HD1  ILE  24          3HD       ILE  24  -0.760  -2.859  -6.422
  213    H    LEU  25           H        LEU  25  -1.570  -4.053  -0.576
  214    HA   LEU  25           HA       LEU  25   0.935  -5.642  -0.655
  215   1HB   LEU  25          2HB       LEU  25  -0.322  -3.959   1.501
  216   2HB   LEU  25          3HB       LEU  25   0.703  -5.332   1.939
  217    HG   LEU  25           HG       LEU  25   1.569  -3.247  -0.068
  218   1HD1  LEU  25          1HD       LEU  25   2.214  -3.308   2.907
  219   2HD1  LEU  25          2HD       LEU  25   2.760  -2.103   1.719
  220   3HD1  LEU  25          3HD       LEU  25   1.039  -2.196   2.175
  221   1HD2  LEU  25          1HD       LEU  25   3.569  -4.551   1.647
  222   2HD2  LEU  25          2HD       LEU  25   2.653  -5.690   0.666
  223   3HD2  LEU  25          3HD       LEU  25   3.524  -4.330  -0.106
  224    H    HIS  26           H        HIS  26   0.059  -7.538  -1.329
  225    HA   HIS  26           HA       HIS  26  -0.948  -9.576  -1.095
  226   1HB   HIS  26          2HB       HIS  26  -1.911  -8.864   1.688
  227   2HB   HIS  26          3HB       HIS  26  -1.485 -10.429   1.034
  228    HD1  HIS  26           HD1      HIS  26   1.377 -10.622   0.556
  229    HD2  HIS  26           HD2      HIS  26  -0.158  -7.593   3.052
  230    HE1  HIS  26           HE1      HIS  26   3.332  -9.758   1.947
  231    H    HIS  27           H        HIS  27  -2.473  -8.724  -2.762
  232    HA   HIS  27           HA       HIS  27  -4.523  -8.118  -3.588
  233   1HB   HIS  27          2HB       HIS  27  -6.234  -9.933  -3.101
  234   2HB   HIS  27          3HB       HIS  27  -4.679 -10.447  -3.720
  235    HD1  HIS  27           HD1      HIS  27  -2.918 -11.405  -1.699
  236    HD2  HIS  27           HD2      HIS  27  -7.041 -11.147  -0.879
  237    HE1  HIS  27           HE1      HIS  27  -3.348 -12.875   0.340
  238    H    LYS  28           H        LYS  28  -4.068  -6.332  -1.613
  239    HA   LYS  28           HA       LYS  28  -6.751  -5.698  -0.620
  240   1HB   LYS  28          2HB       LYS  28  -4.303  -6.364   0.978
  241   2HB   LYS  28          3HB       LYS  28  -5.282  -4.986   1.529
  242   1HG   LYS  28          2HG       LYS  28  -6.906  -6.271   2.318
  243   2HG   LYS  28          3HG       LYS  28  -6.912  -7.326   0.892
  244   1HD   LYS  28          2HD       LYS  28  -5.535  -8.856   1.757
  245   2HD   LYS  28          3HD       LYS  28  -4.633  -7.716   2.784
  246   1HE   LYS  28          2HE       LYS  28  -6.258  -7.714   4.453
  247   2HE   LYS  28          3HE       LYS  28  -7.564  -8.103   3.326
  248   1HZ   LYS  28          1HZ       LYS  28  -5.491 -10.017   4.141
  249   2HZ   LYS  28          2HZ       LYS  28  -7.034  -9.950   4.750
  250   3HZ   LYS  28          3HZ       LYS  28  -6.793 -10.303   3.162
  251    H    VAL  29           H        VAL  29  -6.670  -3.272   0.143
  252    HA   VAL  29           HA       VAL  29  -4.718  -1.794  -1.529
  253    HB   VAL  29           HB       VAL  29  -7.686  -1.801  -1.224
  254   1HG1  VAL  29          1HG       VAL  29  -6.084   0.727  -1.245
  255   2HG1  VAL  29          2HG       VAL  29  -7.468   0.644  -2.333
  256   3HG1  VAL  29          3HG       VAL  29  -7.713   0.347  -0.609
  257   1HG2  VAL  29          1HG       VAL  29  -6.026  -0.928  -3.529
  258   2HG2  VAL  29          2HG       VAL  29  -6.392  -2.653  -3.206
  259   3HG2  VAL  29          3HG       VAL  29  -7.710  -1.508  -3.529
  260    H    TYR  30           H        TYR  30  -3.466  -0.458  -0.331
  261    HA   TYR  30           HA       TYR  30  -4.200   0.041   2.475
  262   1HB   TYR  30          2HB       TYR  30  -1.669  -0.522   0.925
  263   2HB   TYR  30          3HB       TYR  30  -1.631   0.256   2.478
  264    HD1  TYR  30           HD1      TYR  30  -3.082  -2.848   0.857
  265    HD2  TYR  30           HD2      TYR  30  -1.302  -1.076   4.348
  266    HE1  TYR  30           HE1      TYR  30  -3.104  -5.037   2.022
  267    HE2  TYR  30           HE2      TYR  30  -1.465  -3.240   5.509
  268    HH   TYR  30           HH       TYR  30  -2.086  -5.474   5.390
  269    H    ASP  31           H        ASP  31  -3.365   2.141   3.267
  270    HA   ASP  31           HA       ASP  31  -2.708   4.113   1.148
  271   1HB   ASP  31          2HB       ASP  31  -5.065   4.445   1.918
  272   2HB   ASP  31          3HB       ASP  31  -4.466   4.668   3.572
  273    H    LEU  32           H        LEU  32  -0.634   4.510   1.507
  274    HA   LEU  32           HA       LEU  32   0.280   4.778   4.319
  275   1HB   LEU  32          2HB       LEU  32   2.116   4.629   1.935
  276   2HB   LEU  32          3HB       LEU  32   2.432   4.356   3.644
  277    HG   LEU  32           HG       LEU  32   1.204   2.500   1.625
  278   1HD1  LEU  32          1HD       LEU  32   3.299   2.236   3.831
  279   2HD1  LEU  32          2HD       LEU  32   2.912   0.996   2.637
  280   3HD1  LEU  32          3HD       LEU  32   3.621   2.537   2.108
  281   1HD2  LEU  32          1HD       LEU  32  -0.412   2.077   3.254
  282   2HD2  LEU  32          2HD       LEU  32   0.853   0.962   3.706
  283   3HD2  LEU  32          3HD       LEU  32   0.677   2.517   4.579
  284    H    THR  33           H        THR  33  -1.156   6.693   2.224
  285    HA   THR  33           HA       THR  33   0.649   8.907   1.816
  286    HB   THR  33           HB       THR  33  -2.053   8.347   1.213
  287    HG1  THR  33          1HG       THR  33  -0.418  10.652   0.951
  288   1HG2  THR  33          1HG       THR  33  -2.811   9.541   3.217
  289   2HG2  THR  33          2HG       THR  33  -1.769  10.925   2.741
  290   3HG2  THR  33          3HG       THR  33  -3.167  10.433   1.745
  291    H    LYS  34           H        LYS  34  -1.550   8.061   4.474
  292    HA   LYS  34           HA       LYS  34  -0.634  10.477   5.858
  293   1HB   LYS  34          2HB       LYS  34  -2.975   9.131   5.903
  294   2HB   LYS  34          3HB       LYS  34  -2.250   8.398   7.333
  295   1HG   LYS  34          2HG       LYS  34  -2.218  11.406   6.888
  296   2HG   LYS  34          3HG       LYS  34  -3.694  10.629   7.412
  297   1HD   LYS  34          2HD       LYS  34  -3.017  10.577   9.559
  298   2HD   LYS  34          3HD       LYS  34  -1.588   9.653   9.132
  299   1HE   LYS  34          2HE       LYS  34  -0.882  11.665  10.252
  300   2HE   LYS  34          3HE       LYS  34  -0.384  11.742   8.558
  301   1HZ   LYS  34          1HZ       LYS  34  -1.317  13.818   9.169
  302   2HZ   LYS  34          2HZ       LYS  34  -2.418  13.096   8.183
  303   3HZ   LYS  34          3HZ       LYS  34  -2.670  13.133   9.810
  304    H    PHE  35           H        PHE  35   0.882   7.669   5.251
  305    HA   PHE  35           HA       PHE  35   2.202   7.435   7.857
  306   1HB   PHE  35          2HB       PHE  35   0.921   5.502   6.905
  307   2HB   PHE  35          3HB       PHE  35   2.001   5.504   5.533
  308    HD1  PHE  35          1HD       PHE  35   3.470   3.712   5.551
  309    HD2  PHE  35          2HD       PHE  35   2.482   5.611   9.280
  310    HE1  PHE  35          1HE       PHE  35   5.027   2.195   6.725
  311    HE2  PHE  35          2HE       PHE  35   4.198   4.235  10.431
  312    HZ   PHE  35           HZ       PHE  35   5.502   2.559   9.156
  313    H    LEU  36           H        LEU  36   2.571   8.549   4.645
  314    HA   LEU  36           HA       LEU  36   5.225   7.976   3.985
  315   1HB   LEU  36          2HB       LEU  36   3.461  10.447   3.628
  316   2HB   LEU  36          3HB       LEU  36   5.147  10.475   3.096
  317    HG   LEU  36           HG       LEU  36   2.877   8.763   2.062
  318   1HD1  LEU  36          1HD       LEU  36   4.793  10.499   0.501
  319   2HD1  LEU  36          2HD       LEU  36   3.144   9.978   0.084
  320   3HD1  LEU  36          3HD       LEU  36   3.392  11.211   1.339
  321   1HD2  LEU  36          1HD       LEU  36   4.654   7.232   2.040
  322   2HD2  LEU  36          2HD       LEU  36   4.708   7.960   0.421
  323   3HD2  LEU  36          3HD       LEU  36   5.865   8.480   1.659
  324    H    GLU  37           H        GLU  37   4.206  10.770   6.010
  325    HA   GLU  37           HA       GLU  37   6.950  11.083   6.917
  326   1HB   GLU  37          2HB       GLU  37   4.363  12.548   7.596
  327   2HB   GLU  37          3HB       GLU  37   5.942  12.962   8.262
  328   1HG   GLU  37          2HG       GLU  37   5.684  14.425   6.453
  329   2HG   GLU  37          3HG       GLU  37   6.849  13.210   5.937
  330    H    GLU  38           H        GLU  38   5.391   8.554   7.706
  331    HA   GLU  38           HA       GLU  38   5.877   8.740  10.649
  332   1HB   GLU  38          2HB       GLU  38   3.841   7.269   9.028
  333   2HB   GLU  38          3HB       GLU  38   4.185   6.830  10.689
  334   1HG   GLU  38          2HG       GLU  38   3.627   9.501  10.964
  335   2HG   GLU  38          3HG       GLU  38   2.587   9.073   9.597
  336    H    HIS  39           HN       HIS  39   6.496   6.926   7.738
  337    HA   HIS  39           HA       HIS  39   7.257   4.457   8.884
  338   1HB   HIS  39          2HB       HIS  39   6.986   5.437   6.358
  339   2HB   HIS  39          3HB       HIS  39   8.703   5.675   6.583
  340    HD1  HIS  39           HND      HIS  39   8.927   4.197   4.400
  341    HD2  HIS  39           HD       HIS  39   7.332   2.174   7.685
  342    HE1  HIS  39           HE       HIS  39   9.205   1.838   3.872
  343    HA   PRO  40           HA       PRO  40  10.879   5.600  11.022
  344   1HB   PRO  40          2HB       PRO  40  12.730   3.559  10.609
  345   2HB   PRO  40          3HB       PRO  40  11.280   3.427  11.647
  346   1HG   PRO  40          2HG       PRO  40  11.740   2.266   8.945
  347   2HG   PRO  40          3HG       PRO  40  10.616   1.792  10.266
  348   1HD   PRO  40          2HD       PRO  40  10.004   3.233   7.908
  349   2HD   PRO  40          3HD       PRO  40   8.907   2.877   9.287
  350    H    GLY  41           H        GLY  41  11.554   4.673   7.705
  351   1HA   GLY  41          2HA       GLY  41  13.142   7.074   7.303
  352   2HA   GLY  41          3HA       GLY  41  14.098   5.588   7.250
  353    H    GLY  42           H        GLY  42  10.717   5.141   6.013
  354   1HA   GLY  42          2HA       GLY  42  11.854   5.651   3.295
  355   2HA   GLY  42          3HA       GLY  42  10.781   4.327   3.666
  356    H    GLU  43           H        GLU  43  10.851   7.341   2.456
  357    HA   GLU  43           HA       GLU  43   7.861   7.483   2.841
  358   1HB   GLU  43          2HB       GLU  43   7.966   9.807   2.700
  359   2HB   GLU  43          3HB       GLU  43   9.195   9.310   3.829
  360   1HG   GLU  43          2HG       GLU  43  10.247  11.003   2.660
  361   2HG   GLU  43          3HG       GLU  43  10.908   9.549   1.933
  362    H    GLU  44           H        GLU  44  10.419   8.077   0.785
  363    HA   GLU  44           HA       GLU  44   9.027   8.238  -1.718
  364   1HB   GLU  44          2HB       GLU  44  11.341   9.114  -1.506
  365   2HB   GLU  44          3HB       GLU  44  11.960   7.470  -1.397
  366   1HG   GLU  44          2HG       GLU  44  12.218   8.442  -3.680
  367   2HG   GLU  44          3HG       GLU  44  11.288   6.957  -3.662
  368    H    VAL  45           H        VAL  45  10.546   5.432  -0.067
  369    HA   VAL  45           HA       VAL  45  10.182   3.581  -2.196
  370    HB   VAL  45           HB       VAL  45   9.819   1.949  -0.226
  371   1HG1  VAL  45          1HG       VAL  45  12.222   1.848   0.184
  372   2HG1  VAL  45          2HG       VAL  45  11.891   2.170  -1.526
  373   3HG1  VAL  45          3HG       VAL  45  12.419   3.496  -0.469
  374   1HG2  VAL  45          1HG       VAL  45  11.176   3.970   1.499
  375   2HG2  VAL  45          2HG       VAL  45   9.404   4.045   1.390
  376   3HG2  VAL  45          3HG       VAL  45  10.194   2.559   1.933
  377    H    LEU  46           H        LEU  46   7.804   4.941   0.243
  378    HA   LEU  46           HA       LEU  46   5.838   3.009  -0.563
  379   1HB   LEU  46          2HB       LEU  46   5.314   5.776   0.493
  380   2HB   LEU  46          3HB       LEU  46   4.331   4.321   0.688
  381    HG   LEU  46           HG       LEU  46   6.930   5.102   2.065
  382   1HD1  LEU  46          1HD       LEU  46   4.920   3.971   3.783
  383   2HD1  LEU  46          2HD       LEU  46   5.589   5.611   3.760
  384   3HD1  LEU  46          3HD       LEU  46   4.192   5.226   2.765
  385   1HD2  LEU  46          1HD       LEU  46   6.782   2.823   3.203
  386   2HD2  LEU  46          2HD       LEU  46   5.801   2.302   1.823
  387   3HD2  LEU  46          3HD       LEU  46   7.462   2.866   1.585
  388    H    ARG  47           H        ARG  47   7.012   6.055  -1.929
  389    HA   ARG  47           HA       ARG  47   4.783   6.346  -3.772
  390   1HB   ARG  47          2HB       ARG  47   6.160   8.244  -2.833
  391   2HB   ARG  47          3HB       ARG  47   7.487   7.685  -3.866
  392   1HG   ARG  47          2HG       ARG  47   5.862   7.881  -5.836
  393   2HG   ARG  47          3HG       ARG  47   4.737   8.685  -4.744
  394   1HD   ARG  47          2HD       ARG  47   6.078  10.586  -4.548
  395   2HD   ARG  47          3HD       ARG  47   7.573   9.709  -4.859
  396    HE   ARG  47           HE       ARG  47   5.877  10.972  -6.800
  397   1HH1  ARG  47          2HH       ARG  47   8.278   8.411  -6.302
  398   2HH1  ARG  47          1HH       ARG  47   8.566   8.090  -7.945
  399   1HH2  ARG  47          2HH       ARG  47   6.424  10.730  -9.074
  400   2HH2  ARG  47          1HH       ARG  47   7.551   9.509  -9.557
  401    H    GLU  48           H        GLU  48   7.972   4.723  -3.840
  402    HA   GLU  48           HA       GLU  48   8.180   4.584  -6.704
  403   1HB   GLU  48          2HB       GLU  48   9.556   3.402  -4.308
  404   2HB   GLU  48          3HB       GLU  48   9.675   2.480  -5.781
  405   1HG   GLU  48          2HG       GLU  48  10.211   5.221  -6.490
  406   2HG   GLU  48          3HG       GLU  48  11.104   4.876  -5.012
  407    H    GLN  49           H        GLN  49   6.390   2.769  -4.343
  408    HA   GLN  49           HA       GLN  49   5.569   0.832  -6.479
  409   1HB   GLN  49          2HB       GLN  49   5.478   0.620  -3.460
  410   2HB   GLN  49          3HB       GLN  49   5.053  -0.660  -4.626
  411   1HG   GLN  49          2HG       GLN  49   7.840   0.561  -4.281
  412   2HG   GLN  49          3HG       GLN  49   7.280  -0.959  -3.607
  413   1HE2  GLN  49          1HE       GLN  49   9.563  -0.741  -5.443
  414   2HE2  GLN  49          2HE       GLN  49   9.047  -1.718  -6.809
  415    H    ALA  50           H        ALA  50   4.610   3.652  -5.265
  416    HA   ALA  50           HA       ALA  50   2.059   3.224  -4.197
  417   1HB   ALA  50          1HB       ALA  50   1.592   5.565  -4.948
  418   2HB   ALA  50          2HB       ALA  50   3.030   5.377  -3.987
  419   3HB   ALA  50          3HB       ALA  50   3.171   5.583  -5.760
  420    H    GLY  51           H        GLY  51  -0.015   3.071  -5.069
  421   1HA   GLY  51          2HA       GLY  51  -1.629   2.492  -6.554
  422   2HA   GLY  51          3HA       GLY  51  -0.775   3.439  -7.777
  423    H    GLY  52           H        GLY  52   1.001   0.811  -6.128
  424   1HA   GLY  52          2HA       GLY  52   0.602  -1.067  -8.346
  425   2HA   GLY  52          3HA       GLY  52   2.209  -0.371  -8.026
  426    H    ASP  53           H        ASP  53   2.120  -3.008  -7.825
  427    HA   ASP  53           HA       ASP  53   1.368  -4.022  -5.258
  428   1HB   ASP  53          2HB       ASP  53   2.681  -6.010  -6.252
  429   2HB   ASP  53          3HB       ASP  53   1.110  -5.587  -6.913
  430    H    ALA  54           H        ALA  54   2.497  -3.103  -3.616
  431    HA   ALA  54           HA       ALA  54   5.439  -2.892  -3.870
  432   1HB   ALA  54          1HB       ALA  54   3.847  -2.228  -1.384
  433   2HB   ALA  54          2HB       ALA  54   5.375  -1.541  -1.991
  434   3HB   ALA  54          3HB       ALA  54   3.846  -1.130  -2.779
  435    H    THR  55           H        THR  55   3.258  -5.341  -3.084
  436    HA   THR  55           HA       THR  55   4.042  -6.393  -0.723
  437    HB   THR  55           HB       THR  55   3.337  -7.972  -3.258
  438    HG1  THR  55          1HG       THR  55   1.716  -6.415  -3.017
  439   1HG2  THR  55          1HG       THR  55   3.257  -8.423  -0.302
  440   2HG2  THR  55          2HG       THR  55   1.999  -9.173  -1.313
  441   3HG2  THR  55          3HG       THR  55   3.716  -9.551  -1.601
  442    H    GLU  56           H        GLU  56   5.709  -6.797  -3.887
  443    HA   GLU  56           HA       GLU  56   7.571  -8.766  -3.068
  444   1HB   GLU  56          2HB       GLU  56   7.745  -6.461  -5.052
  445   2HB   GLU  56          3HB       GLU  56   9.050  -7.640  -4.817
  446   1HG   GLU  56          2HG       GLU  56   7.370  -9.478  -5.280
  447   2HG   GLU  56          3HG       GLU  56   6.223  -8.224  -5.778
  448    H    ASN  57           H        ASN  57   7.678  -5.199  -2.714
  449    HA   ASN  57           HA       ASN  57  10.391  -5.119  -1.732
  450   1HB   ASN  57          2HB       ASN  57   8.269  -3.232  -2.277
  451   2HB   ASN  57          3HB       ASN  57   8.757  -3.004  -0.607
  452   1HD2  ASN  57          1HD       ASN  57   9.459  -2.074  -3.746
  453   2HD2  ASN  57          2HD       ASN  57  11.104  -1.501  -3.422
  454    H    PHE  58           H        PHE  58   7.254  -4.907  -0.140
  455    HA   PHE  58           HA       PHE  58   8.115  -4.869   2.535
  456   1HB   PHE  58          2HB       PHE  58   5.831  -4.471   1.753
  457   2HB   PHE  58          3HB       PHE  58   5.621  -6.188   1.421
  458    HD1  PHE  58          1HD       PHE  58   5.681  -7.842   3.383
  459    HD2  PHE  58          2HD       PHE  58   5.416  -3.571   3.931
  460    HE1  PHE  58          1HE       PHE  58   4.823  -8.186   5.672
  461    HE2  PHE  58          2HE       PHE  58   4.564  -3.918   6.229
  462    HZ   PHE  58           HZ       PHE  58   4.257  -6.227   7.108
  463    H    GLU  59           H        GLU  59   7.632  -7.750   0.456
  464    HA   GLU  59           HA       GLU  59   8.279  -9.664   2.536
  465   1HB   GLU  59          2HB       GLU  59   7.757  -9.645  -0.431
  466   2HB   GLU  59          3HB       GLU  59   8.648 -11.011   0.208
  467   1HG   GLU  59          2HG       GLU  59   6.008 -10.082   1.406
  468   2HG   GLU  59          3HG       GLU  59   6.111 -11.272   0.105
  469    H    ASP  60           H        ASP  60  10.116  -7.989  -0.019
  470    HA   ASP  60           HA       ASP  60  12.409  -9.639  -0.066
  471   1HB   ASP  60          2HB       ASP  60  11.639  -6.954  -1.065
  472   2HB   ASP  60          3HB       ASP  60  13.301  -6.989  -0.534
  473    H    VAL  61           H        VAL  61  11.681  -6.644   1.702
  474    HA   VAL  61           HA       VAL  61  14.163  -6.795   3.198
  475    HB   VAL  61           HB       VAL  61  12.674  -4.728   2.530
  476   1HG1  VAL  61          1HG       VAL  61  11.514  -5.303   5.278
  477   2HG1  VAL  61          2HG       VAL  61  11.182  -3.924   4.213
  478   3HG1  VAL  61          3HG       VAL  61  10.663  -5.553   3.728
  479   1HG2  VAL  61          1HG       VAL  61  14.118  -4.967   5.184
  480   2HG2  VAL  61          2HG       VAL  61  14.752  -4.379   3.625
  481   3HG2  VAL  61          3HG       VAL  61  13.526  -3.437   4.493
  482    H    GLY  62           H        GLY  62  10.820  -7.989   3.753
  483   1HA   GLY  62          2HA       GLY  62  10.320  -9.790   5.106
  484   2HA   GLY  62          3HA       GLY  62  12.020  -9.863   5.634
  485    H    HIS  63           HN       HIS  63   9.411  -7.448   5.668
  486    HA   HIS  63           HA       HIS  63  10.332  -5.834   7.587
  487   1HB   HIS  63          2HB       HIS  63   7.583  -6.515   6.571
  488   2HB   HIS  63          3HB       HIS  63   7.626  -5.554   8.021
  489    HD1  HIS  63           HND      HIS  63   8.677  -5.316   4.393
  490    HD2  HIS  63           HD       HIS  63   8.174  -2.989   7.834
  491    HE1  HIS  63           HE       HIS  63   8.718  -2.905   3.619
  492    H    SER  64           H        SER  64   9.803  -5.306   9.783
  493    HA   SER  64           HA       SER  64   9.728  -7.508  11.579
  494   1HB   SER  64          2HB       SER  64   9.421  -4.507  12.019
  495   2HB   SER  64          3HB       SER  64   9.869  -5.715  13.252
  496    HG   SER  64           HG       SER  64  11.794  -4.913  12.414
  497    H    THR  65           H        THR  65   8.136  -7.541  13.514
  498    HA   THR  65           HA       THR  65   5.536  -7.914  12.569
  499    HB   THR  65           HB       THR  65   6.690  -7.570  15.367
  500    HG1  THR  65          1HG       THR  65   6.780  -9.927  15.089
  501   1HG2  THR  65          1HG       THR  65   4.882  -8.892  16.184
  502   2HG2  THR  65          2HG       THR  65   4.146  -7.603  15.225
  503   3HG2  THR  65          3HG       THR  65   4.289  -9.236  14.534
  504    H    ASP  66           H        ASP  66   7.014  -5.167  14.394
  505    HA   ASP  66           HA       ASP  66   4.655  -3.785  15.020
  506   1HB   ASP  66          2HB       ASP  66   7.169  -3.390  15.637
  507   2HB   ASP  66          3HB       ASP  66   7.222  -2.401  14.177
  508    H    ALA  67           H        ALA  67   6.390  -4.136  11.978
  509    HA   ALA  67           HA       ALA  67   4.962  -1.998  10.606
  510   1HB   ALA  67          1HB       ALA  67   6.716  -4.310   9.668
  511   2HB   ALA  67          2HB       ALA  67   5.983  -3.112   8.585
  512   3HB   ALA  67          3HB       ALA  67   7.172  -2.630   9.831
  513    H    ARG  68           H        ARG  68   4.847  -5.596  10.795
  514    HA   ARG  68           HA       ARG  68   2.811  -6.091   9.001
  515   1HB   ARG  68          2HB       ARG  68   4.205  -7.654  10.375
  516   2HB   ARG  68          3HB       ARG  68   2.928  -7.564  11.604
  517   1HG   ARG  68          2HG       ARG  68   1.572  -8.905  10.372
  518   2HG   ARG  68          3HG       ARG  68   1.723  -7.880   8.936
  519   1HD   ARG  68          2HD       ARG  68   3.729  -8.940   8.224
  520   2HD   ARG  68          3HD       ARG  68   3.949  -9.727   9.800
  521    HE   ARG  68           HE       ARG  68   1.474 -10.464   8.473
  522   1HH1  ARG  68          2HH       ARG  68   4.924 -11.149   8.632
  523   2HH1  ARG  68          1HH       ARG  68   4.792 -12.843   8.336
  524   1HH2  ARG  68          2HH       ARG  68   1.234 -12.757   8.086
  525   2HH2  ARG  68          1HH       ARG  68   2.627 -13.773   8.003
  526    H    GLU  69           H        GLU  69   2.675  -4.541  12.267
  527    HA   GLU  69           HA       GLU  69  -0.189  -4.877  12.719
  528   1HB   GLU  69          2HB       GLU  69   2.123  -3.598  14.180
  529   2HB   GLU  69          3HB       GLU  69   0.538  -2.883  14.431
  530   1HG   GLU  69          2HG       GLU  69  -0.162  -5.461  14.747
  531   2HG   GLU  69          3HG       GLU  69   1.534  -5.588  15.230
  532    H    LEU  70           H        LEU  70   1.861  -1.922  11.979
  533    HA   LEU  70           HA       LEU  70  -0.351  -0.246  11.688
  534   1HB   LEU  70          2HB       LEU  70   2.495  -0.349  10.747
  535   2HB   LEU  70          3HB       LEU  70   1.431   0.768   9.976
  536    HG   LEU  70           HG       LEU  70   2.500   2.070  11.477
  537   1HD1  LEU  70          1HD       LEU  70   0.875   2.857  13.041
  538   2HD1  LEU  70          2HD       LEU  70  -0.010   2.278  11.617
  539   3HD1  LEU  70          3HD       LEU  70   0.064   1.277  13.097
  540   1HD2  LEU  70          1HD       LEU  70   3.464   0.099  12.684
  541   2HD2  LEU  70          2HD       LEU  70   3.073   1.489  13.708
  542   3HD2  LEU  70          3HD       LEU  70   1.997   0.062  13.685
  543    H    SER  71           H        SER  71   0.861  -2.678   9.420
  544    HA   SER  71           HA       SER  71  -0.677  -2.040   7.039
  545   1HB   SER  71          2HB       SER  71  -0.759  -4.836   7.590
  546   2HB   SER  71          3HB       SER  71   0.199  -3.985   6.379
  547    HG   SER  71           HG       SER  71   1.803  -3.661   8.039
  548    H    LYS  72           H        LYS  72  -1.758  -3.291  10.100
  549    HA   LYS  72           HA       LYS  72  -4.359  -3.890   9.051
  550   1HB   LYS  72          2HB       LYS  72  -2.936  -4.606  11.246
  551   2HB   LYS  72          3HB       LYS  72  -3.912  -3.337  11.988
  552   1HG   LYS  72          2HG       LYS  72  -5.895  -4.532  11.675
  553   2HG   LYS  72          3HG       LYS  72  -5.296  -5.388  10.237
  554   1HD   LYS  72          2HD       LYS  72  -3.799  -6.771  11.585
  555   2HD   LYS  72          3HD       LYS  72  -4.219  -5.849  13.042
  556   1HE   LYS  72          2HE       LYS  72  -5.621  -7.707  13.247
  557   2HE   LYS  72          3HE       LYS  72  -6.672  -6.490  12.503
  558   1HZ   LYS  72          1HZ       LYS  72  -5.794  -7.601  10.336
  559   2HZ   LYS  72          2HZ       LYS  72  -5.509  -8.888  11.325
  560   3HZ   LYS  72          3HZ       LYS  72  -7.033  -8.285  11.176
  561    H    THR  73           H        THR  73  -2.933  -0.930  10.478
  562    HA   THR  73           HA       THR  73  -5.596   0.342  10.449
  563    HB   THR  73           HB       THR  73  -3.600   0.586  12.176
  564    HG1  THR  73          1HG       THR  73  -4.781   2.175  12.948
  565   1HG2  THR  73          1HG       THR  73  -3.183   3.045  10.444
  566   2HG2  THR  73          2HG       THR  73  -2.397   2.650  11.980
  567   3HG2  THR  73          3HG       THR  73  -2.046   1.679  10.538
  568    H    PHE  74           H        PHE  74  -3.300  -0.374   8.110
  569    HA   PHE  74           HA       PHE  74  -3.706   2.147   6.570
  570   1HB   PHE  74          2HB       PHE  74  -2.026  -0.337   6.214
  571   2HB   PHE  74          3HB       PHE  74  -2.048   1.021   5.069
  572    HD1  PHE  74          1HD       PHE  74  -2.241   2.713   8.100
  573    HD2  PHE  74          2HD       PHE  74   0.380   0.210   5.758
  574    HE1  PHE  74          1HE       PHE  74  -0.290   3.593   9.335
  575    HE2  PHE  74          2HE       PHE  74   2.335   1.280   6.826
  576    HZ   PHE  74           HZ       PHE  74   1.967   2.769   8.753
  577    H    ILE  75           H        ILE  75  -4.666  -1.297   6.532
  578    HA   ILE  75           HA       ILE  75  -5.452  -1.355   3.835
  579    HB   ILE  75           HB       ILE  75  -5.501  -3.054   6.087
  580   1HG1  ILE  75          2HG       ILE  75  -6.595  -3.796   3.385
  581   2HG1  ILE  75          3HG       ILE  75  -4.908  -3.349   3.595
  582   1HG2  ILE  75          1HG       ILE  75  -8.302  -2.906   4.911
  583   2HG2  ILE  75          2HG       ILE  75  -7.683  -4.199   5.952
  584   3HG2  ILE  75          3HG       ILE  75  -7.828  -2.568   6.603
  585   1HD1  ILE  75          1HD       ILE  75  -6.322  -5.663   4.964
  586   2HD1  ILE  75          2HD       ILE  75  -4.977  -5.721   3.810
  587   3HD1  ILE  75          3HD       ILE  75  -4.709  -5.077   5.429
  588    H    ILE  76           H        ILE  76  -6.679   0.039   2.852
  589    HA   ILE  76           HA       ILE  76  -9.010   1.228   4.268
  590    HB   ILE  76           HB       ILE  76  -8.868   3.028   2.660
  591   1HG1  ILE  76          2HG       ILE  76  -6.201   2.628   1.534
  592   2HG1  ILE  76          3HG       ILE  76  -7.129   1.231   1.200
  593   1HG2  ILE  76          1HG       ILE  76  -6.083   2.862   3.756
  594   2HG2  ILE  76          2HG       ILE  76  -7.223   4.208   3.737
  595   3HG2  ILE  76          3HG       ILE  76  -7.456   2.862   4.871
  596   1HD1  ILE  76          1HD       ILE  76  -7.504   2.767  -0.571
  597   2HD1  ILE  76          2HD       ILE  76  -9.001   2.749   0.375
  598   3HD1  ILE  76          3HD       ILE  76  -7.865   4.096   0.569
  599    H    GLY  77           H        GLY  77  -8.527  -1.430   2.512
  600   1HA   GLY  77          2HA       GLY  77 -10.996  -2.155   2.005
  601   2HA   GLY  77          3HA       GLY  77 -10.717  -1.120   0.576
  602    H    GLU  78           H        GLU  78 -10.808  -3.015  -0.830
  603    HA   GLU  78           HA       GLU  78  -8.219  -4.306  -1.006
  604   1HB   GLU  78          2HB       GLU  78 -10.764  -5.976  -1.219
  605   2HB   GLU  78          3HB       GLU  78  -9.110  -6.510  -1.569
  606   1HG   GLU  78          2HG       GLU  78  -8.489  -5.796   0.768
  607   2HG   GLU  78          3HG       GLU  78 -10.179  -5.594   1.122
  608    H    LEU  79           H        LEU  79  -8.581  -5.663  -3.398
  609    HA   LEU  79           HA       LEU  79  -9.911  -3.644  -5.108
  610   1HB   LEU  79          2HB       LEU  79  -8.255  -3.766  -6.729
  611   2HB   LEU  79          3HB       LEU  79  -7.433  -3.535  -5.197
  612    HG   LEU  79           HG       LEU  79  -7.616  -6.049  -6.919
  613   1HD1  LEU  79          1HD       LEU  79  -5.943  -4.539  -7.632
  614   2HD1  LEU  79          2HD       LEU  79  -5.496  -4.129  -5.970
  615   3HD1  LEU  79          3HD       LEU  79  -5.053  -5.711  -6.646
  616   1HD2  LEU  79          1HD       LEU  79  -7.727  -6.934  -4.627
  617   2HD2  LEU  79          2HD       LEU  79  -6.096  -7.136  -5.223
  618   3HD2  LEU  79          3HD       LEU  79  -6.442  -5.804  -4.097
  619    H    HIS  80           H        HIS  80 -10.489  -4.658  -7.243
  620    HA   HIS  80           HA       HIS  80 -12.252  -6.836  -6.857
  621   1HB   HIS  80          2HB       HIS  80 -11.023  -5.732  -9.398
  622   2HB   HIS  80          3HB       HIS  80 -12.230  -7.013  -9.370
  623    HD1  HIS  80           HD1      HIS  80 -11.999  -3.406  -7.957
  624    HD2  HIS  80           HD2      HIS  80 -14.731  -6.238  -9.364
  625    HE1  HIS  80           HE1      HIS  80 -14.288  -2.283  -7.901
  626    HA   PRO  81           HA       PRO  81  -8.920  -9.800  -6.959
  627   1HB   PRO  81          2HB       PRO  81 -10.187 -11.961  -5.789
  628   2HB   PRO  81          3HB       PRO  81  -9.566 -10.560  -4.865
  629   1HG   PRO  81          2HG       PRO  81 -12.401 -11.176  -5.666
  630   2HG   PRO  81          3HG       PRO  81 -11.786 -10.379  -4.184
  631   1HD   PRO  81          2HD       PRO  81 -12.840  -9.094  -6.473
  632   2HD   PRO  81          3HD       PRO  81 -11.894  -8.319  -5.178
  633    H    ASP  82           H        ASP  82 -12.068 -10.041  -8.437
  634    HA   ASP  82           HA       ASP  82 -11.784 -12.395  -9.925
  635   1HB   ASP  82          2HB       ASP  82 -13.040  -9.767 -10.826
  636   2HB   ASP  82          3HB       ASP  82 -13.354 -11.368 -11.511
  637    H    ASP  83           H        ASP  83 -10.318  -9.195 -10.312
  638    HA   ASP  83           HA       ASP  83  -9.000 -10.023 -12.846
  639   1HB   ASP  83          2HB       ASP  83  -9.461  -7.309 -11.565
  640   2HB   ASP  83          3HB       ASP  83  -8.439  -7.588 -12.991
  641    H    ARG  84           H        ARG  84  -8.298 -10.840  -9.940
  642    HA   ARG  84           HA       ARG  84  -5.555  -9.665  -9.825
  643   1HB   ARG  84          2HB       ARG  84  -6.793  -9.635  -7.769
  644   2HB   ARG  84          3HB       ARG  84  -7.122 -11.368  -7.845
  645   1HG   ARG  84          2HG       ARG  84  -4.259 -10.387  -7.826
  646   2HG   ARG  84          3HG       ARG  84  -5.193 -10.408  -6.333
  647   1HD   ARG  84          2HD       ARG  84  -5.600 -12.930  -7.684
  648   2HD   ARG  84          3HD       ARG  84  -3.862 -12.611  -7.609
  649    HE   ARG  84           HE       ARG  84  -4.674 -12.019  -5.085
  650   1HH1  ARG  84          2HH       ARG  84  -5.167 -14.847  -7.127
  651   2HH1  ARG  84          1HH       ARG  84  -5.302 -15.976  -5.825
  652   1HH2  ARG  84          2HH       ARG  84  -4.896 -13.478  -3.297
  653   2HH2  ARG  84          1HH       ARG  84  -5.112 -15.163  -3.585
  654    H    SER  85           H        SER  85  -7.221 -12.647 -10.655
  655    HA   SER  85           HA       SER  85  -4.584 -13.812 -11.437
  656   1HB   SER  85          2HB       SER  85  -6.815 -15.132  -9.845
  657   2HB   SER  85          3HB       SER  85  -5.532 -16.043 -10.657
  658    HG   SER  85           HG       SER  85  -4.041 -15.190  -9.360
  659    H    LYS  86           H        LYS  86  -7.054 -12.487 -12.916
  660    HA   LYS  86           HA       LYS  86  -7.375 -14.743 -14.820
  661   1HB   LYS  86          2HB       LYS  86  -9.207 -14.508 -12.967
  662   2HB   LYS  86          3HB       LYS  86  -9.780 -13.147 -13.914
  663   1HG   LYS  86          2HG       LYS  86  -9.231 -15.650 -15.470
  664   2HG   LYS  86          3HG       LYS  86 -10.459 -15.811 -14.233
  665   1HD   LYS  86          2HD       LYS  86 -11.031 -13.366 -15.639
  666   2HD   LYS  86          3HD       LYS  86 -10.675 -14.594 -16.848
  667   1HE   LYS  86          2HE       LYS  86 -12.569 -15.759 -16.424
  668   2HE   LYS  86          3HE       LYS  86 -12.378 -15.635 -14.672
  669   1HZ   LYS  86          1HZ       LYS  86 -13.337 -13.506 -14.679
  670   2HZ   LYS  86          2HZ       LYS  86 -13.357 -13.407 -16.320
  671   3HZ   LYS  86          3HZ       LYS  86 -14.343 -14.480 -15.546
  672    H    LEU  87           H        LEU  87  -5.659 -12.696 -15.311
  673    HA   LEU  87           HA       LEU  87  -7.133 -10.663 -16.916
  674   1HB   LEU  87          2HB       LEU  87  -4.228 -10.678 -16.025
  675   2HB   LEU  87          3HB       LEU  87  -5.090  -9.363 -16.799
  676    HG   LEU  87           HG       LEU  87  -6.536 -10.165 -14.388
  677   1HD1  LEU  87          1HD       LEU  87  -4.278 -11.066 -13.762
  678   2HD1  LEU  87          2HD       LEU  87  -3.604  -9.435 -13.987
  679   3HD1  LEU  87          3HD       LEU  87  -4.802  -9.739 -12.721
  680   1HD2  LEU  87          1HD       LEU  87  -6.158  -7.786 -13.822
  681   2HD2  LEU  87          2HD       LEU  87  -5.006  -7.645 -15.160
  682   3HD2  LEU  87          3HD       LEU  87  -6.725  -7.987 -15.485
  683    H    SER  88           H        SER  88  -7.480 -11.831 -18.878
  684    HA   SER  88           HA       SER  88  -5.166 -11.900 -20.609
  685   1HB   SER  88          2HB       SER  88  -5.061 -14.102 -19.231
  686   2HB   SER  88          3HB       SER  88  -6.456 -14.615 -20.192
  687    HG   SER  88           HG       SER  88  -4.542 -15.232 -21.208
  688    H    LYS  89           H        LYS  89  -7.021 -10.286 -21.257
  689    HA   LYS  89           HA       LYS  89  -9.326 -11.681 -22.464
  690   1HB   LYS  89          2HB       LYS  89  -9.358  -9.456 -21.050
  691   2HB   LYS  89          3HB       LYS  89  -8.931  -8.674 -22.582
  692   1HG   LYS  89          2HG       LYS  89 -10.969  -9.478 -23.626
  693   2HG   LYS  89          3HG       LYS  89 -11.242 -10.642 -22.319
  694   1HD   LYS  89          2HD       LYS  89 -12.808  -9.014 -21.859
  695   2HD   LYS  89          3HD       LYS  89 -11.496  -8.599 -20.756
  696   1HE   LYS  89          2HE       LYS  89 -11.034  -7.287 -23.299
  697   2HE   LYS  89          3HE       LYS  89 -12.724  -7.030 -22.872
  698   1HZ   LYS  89          1HZ       LYS  89 -12.155  -5.899 -20.979
  699   2HZ   LYS  89          2HZ       LYS  89 -10.578  -6.451 -20.934
  700   3HZ   LYS  89          3HZ       LYS  89 -11.116  -5.368 -22.054
  701    HA   PRO  90           HA       PRO  90  -7.167 -11.564 -26.357
  702   1HB   PRO  90          2HB       PRO  90  -9.163 -12.329 -28.092
  703   2HB   PRO  90          3HB       PRO  90  -8.412 -13.415 -26.900
  704   1HG   PRO  90          2HG       PRO  90 -11.050 -11.964 -26.698
  705   2HG   PRO  90          3HG       PRO  90 -10.646 -13.644 -26.224
  706   1HD   PRO  90          2HD       PRO  90 -10.768 -11.502 -24.475
  707   2HD   PRO  90          3HD       PRO  90  -9.775 -12.960 -24.190
  708    H    MET  91           H        MET  91  -7.189  -9.093 -25.739
  709    HA   MET  91           HA       MET  91  -7.493  -6.933 -26.172
  710   1HB   MET  91          2HB       MET  91  -7.519  -8.110 -28.951
  711   2HB   MET  91          3HB       MET  91  -7.958  -6.418 -28.756
  712   1HG   MET  91          2HG       MET  91  -5.830  -6.255 -27.261
  713   2HG   MET  91          3HG       MET  91  -5.344  -7.744 -28.073
  714   1HE   MET  91          1HE       MET  91  -3.670  -4.131 -29.284
  715   2HE   MET  91          2HE       MET  91  -5.048  -3.888 -28.187
  716   3HE   MET  91          3HE       MET  91  -3.823  -5.124 -27.818
  717    H    GLU  92           H        GLU  92  -8.994  -5.213 -27.274
  718    HA   GLU  92           HA       GLU  92 -11.665  -5.889 -27.873
  719   1HB   GLU  92          2HB       GLU  92 -12.667  -4.511 -26.003
  720   2HB   GLU  92          3HB       GLU  92 -12.116  -6.111 -25.540
  721   1HG   GLU  92          2HG       GLU  92 -10.491  -5.357 -24.149
  722   2HG   GLU  92          3HG       GLU  92 -10.057  -3.984 -25.141
  723    H    THR  93           H        THR  93 -12.215  -4.208 -29.331
  724    HA   THR  93           HA       THR  93 -10.515  -1.774 -29.238
  725    HB   THR  93           HB       THR  93 -10.814  -2.801 -31.417
  726    HG1  THR  93          1HG       THR  93 -12.331  -0.411 -31.365
  727   1HG2  THR  93          1HG       THR  93 -13.381  -3.478 -30.856
  728   2HG2  THR  93          2HG       THR  93 -13.665  -1.959 -31.707
  729   3HG2  THR  93          3HG       THR  93 -12.763  -3.250 -32.506
  730    H    LEU  94           H        LEU  94 -11.634   0.274 -29.271
  731    HA   LEU  94           HA       LEU  94 -13.936   0.605 -27.517
  732   1HB   LEU  94          2HB       LEU  94 -12.132   2.362 -28.001
  733   2HB   LEU  94          3HB       LEU  94 -12.745   2.427 -29.657
  734    HG   LEU  94           HG       LEU  94 -15.017   2.777 -27.918
  735   1HD1  LEU  94          1HD       LEU  94 -12.670   4.577 -27.202
  736   2HD1  LEU  94          2HD       LEU  94 -14.352   4.769 -26.656
  737   3HD1  LEU  94          3HD       LEU  94 -13.414   3.353 -26.144
  738   1HD2  LEU  94          1HD       LEU  94 -13.435   4.727 -29.653
  739   2HD2  LEU  94          2HD       LEU  94 -14.810   3.717 -30.164
  740   3HD2  LEU  94          3HD       LEU  94 -15.060   5.025 -28.994
  741    HHA  HEM  95          MHG       HEM  95  12.070  -0.380   8.251
  742    HHB  HEM  95          MHD       HEM  95   5.767  -0.194   9.517
  743    HHC  HEM  95          MHA       HEM  95   4.523  -0.978   3.254
  744    HHD  HEM  95          MHB       HEM  95  10.790  -0.267   1.935
  745   1HMA  HEM  95          1HM       HEM  95   7.287  -1.167  11.623
  746   2HMA  HEM  95          2HM       HEM  95   8.531  -0.047  12.187
  747   3HMA  HEM  95          3HM       HEM  95   7.079   0.577  11.408
  748   1HAA  HEM  95          1HP       HEM  95  10.566  -0.619  11.754
  749   2HAA  HEM  95          2HP       HEM  95  11.721  -0.039  10.567
  750   1HBA  HEM  95          3HP       HEM  95  11.891  -2.308   9.595
  751   2HBA  HEM  95          4HP       HEM  95  10.750  -2.898  10.808
  752   1HMB  HEM  95          1HM       HEM  95   3.281   0.537   8.696
  753   2HMB  HEM  95          2HM       HEM  95   2.317  -0.831   8.027
  754   3HMB  HEM  95          3HM       HEM  95   3.665  -1.113   9.145
  755    HAB  HEM  95          AHT       HEM  95   2.435  -0.423   4.435
  756   1HBB  HEM  95          CHV       HEM  95   2.394  -2.894   6.205
  757   2HBB  HEM  95          THV       HEM  95   1.086  -2.325   5.001
  758   1HMC  HEM  95          1HM       HEM  95   4.977  -1.894   1.276
  759   2HMC  HEM  95          2HM       HEM  95   5.188  -0.396   0.342
  760   3HMC  HEM  95          3HM       HEM  95   6.169  -1.859  -0.005
  761    HAC  HEM  95          AHT       HEM  95   9.773  -0.681  -0.009
  762   1HBC  HEM  95          THV       HEM  95   8.652   0.256  -1.876
  763   2HBC  HEM  95          CHV       HEM  95   7.017   0.198  -0.997
  764   1HMD  HEM  95          1HM       HEM  95  12.831   0.788   2.357
  765   2HMD  HEM  95          2HM       HEM  95  14.194   0.482   3.434
  766   3HMD  HEM  95          3HM       HEM  95  13.419  -0.873   2.591
  767   1HAD  HEM  95          1HP       HEM  95  13.775   0.611   7.176
  768   2HAD  HEM  95          2HP       HEM  95  14.371   0.974   5.578
  769   1HBD  HEM  95          3HP       HEM  95  15.855  -0.672   6.302
  770   2HBD  HEM  95          4HP       HEM  95  14.723  -1.601   5.315
  Start of MODEL    3
    1   1H    ASP   1           H1       ASP   1 -22.848   2.894   8.043
    2   2H    ASP   1           H2       ASP   1 -21.339   2.433   8.468
    3   3H    ASP   1           H3       ASP   1 -21.601   3.994   7.997
    4    HA   ASP   1           HA       ASP   1 -20.527   2.604   6.294
    5   1HB   ASP   1          2HB       ASP   1 -21.755   3.407   4.454
    6   2HB   ASP   1          3HB       ASP   1 -23.298   3.350   5.326
    7    H    LYS   2           H        LYS   2 -21.354   0.951   4.443
    8    HA   LYS   2           HA       LYS   2 -22.777  -1.237   5.829
    9   1HB   LYS   2          2HB       LYS   2 -24.635   0.016   4.896
   10   2HB   LYS   2          3HB       LYS   2 -23.844   0.144   3.328
   11   1HG   LYS   2          2HG       LYS   2 -24.061  -2.674   4.129
   12   2HG   LYS   2          3HG       LYS   2 -25.632  -1.895   4.227
   13   1HD   LYS   2          2HD       LYS   2 -23.855  -1.589   1.775
   14   2HD   LYS   2          3HD       LYS   2 -24.964  -2.950   1.966
   15   1HE   LYS   2          2HE       LYS   2 -26.818  -1.735   1.610
   16   2HE   LYS   2          3HE       LYS   2 -26.262  -0.380   2.594
   17   1HZ   LYS   2          1HZ       LYS   2 -25.511   0.682   0.805
   18   2HZ   LYS   2          2HZ       LYS   2 -24.890  -0.661   0.079
   19   3HZ   LYS   2          3HZ       LYS   2 -26.492  -0.314  -0.055
   20    H    ASP   3           H        ASP   3 -21.588  -0.158   2.588
   21    HA   ASP   3           HA       ASP   3 -20.634  -2.861   2.051
   22   1HB   ASP   3          2HB       ASP   3 -21.552  -1.016   0.372
   23   2HB   ASP   3          3HB       ASP   3 -19.884  -0.422   0.426
   24    H    VAL   4           H        VAL   4 -18.128  -2.422   0.898
   25    HA   VAL   4           HA       VAL   4 -16.544  -1.596   3.293
   26    HB   VAL   4           HB       VAL   4 -15.732  -3.626   1.212
   27   1HG1  VAL   4          1HG       VAL   4 -14.317  -2.343   3.327
   28   2HG1  VAL   4          2HG       VAL   4 -14.671  -3.969   3.911
   29   3HG1  VAL   4          3HG       VAL   4 -13.797  -3.759   2.389
   30   1HG2  VAL   4          1HG       VAL   4 -16.313  -5.374   2.905
   31   2HG2  VAL   4          2HG       VAL   4 -17.188  -4.124   3.824
   32   3HG2  VAL   4          3HG       VAL   4 -17.709  -4.576   2.183
   33    H    LYS   5           H        LYS   5 -14.437  -2.169   0.990
   34    HA   LYS   5           HA       LYS   5 -14.457   0.610  -0.084
   35   1HB   LYS   5          2HB       LYS   5 -12.310  -1.117   1.036
   36   2HB   LYS   5          3HB       LYS   5 -11.955   0.226  -0.077
   37   1HG   LYS   5          2HG       LYS   5 -13.739   0.629   2.383
   38   2HG   LYS   5          3HG       LYS   5 -12.005   0.656   2.568
   39   1HD   LYS   5          2HD       LYS   5 -12.085   2.350   0.526
   40   2HD   LYS   5          3HD       LYS   5 -13.779   2.527   0.983
   41   1HE   LYS   5          2HE       LYS   5 -12.375   2.716   3.416
   42   2HE   LYS   5          3HE       LYS   5 -11.270   3.459   2.251
   43   1HZ   LYS   5          1HZ       LYS   5 -12.553   5.233   2.761
   44   2HZ   LYS   5          2HZ       LYS   5 -13.487   4.641   1.543
   45   3HZ   LYS   5          3HZ       LYS   5 -13.897   4.342   3.111
   46    H    TYR   6           H        TYR   6 -12.773  -2.421  -0.810
   47    HA   TYR   6           HA       TYR   6 -12.231  -3.449  -2.743
   48   1HB   TYR   6          2HB       TYR   6 -15.219  -3.028  -2.921
   49   2HB   TYR   6          3HB       TYR   6 -14.289  -3.975  -4.061
   50    HD1  TYR   6           HD1      TYR   6 -14.856  -6.186  -3.820
   51    HD2  TYR   6           HD2      TYR   6 -14.134  -3.884  -0.274
   52    HE1  TYR   6           HE1      TYR   6 -15.194  -8.214  -2.437
   53    HE2  TYR   6           HE2      TYR   6 -14.514  -5.880   1.119
   54    HH   TYR   6           HH       TYR   6 -15.260  -8.097   1.131
   55    H    TYR   7           H        TYR   7 -10.761  -2.227  -4.140
   56    HA   TYR   7           HA       TYR   7 -12.074  -0.245  -5.857
   57   1HB   TYR   7          2HB       TYR   7  -9.506  -0.398  -4.264
   58   2HB   TYR   7          3HB       TYR   7  -9.566   0.553  -5.668
   59    HD1  TYR   7           HD1      TYR   7 -12.074   2.022  -5.687
   60    HD2  TYR   7           HD2      TYR   7  -9.710   0.815  -2.308
   61    HE1  TYR   7           HE1      TYR   7 -13.021   3.882  -4.393
   62    HE2  TYR   7           HE2      TYR   7 -10.637   2.721  -0.995
   63    HH   TYR   7           HH       TYR   7 -12.759   5.156  -2.419
   64    H    THR   8           H        THR   8 -11.133  -0.120  -7.964
   65    HA   THR   8           HA       THR   8 -10.357  -2.779  -8.981
   66    HB   THR   8           HB       THR   8 -10.679  -1.643 -11.183
   67    HG1  THR   8          1HG       THR   8 -11.295   0.517 -11.190
   68   1HG2  THR   8          1HG       THR   8 -12.746  -2.507 -10.525
   69   2HG2  THR   8          2HG       THR   8 -12.888  -1.435  -9.118
   70   3HG2  THR   8          3HG       THR   8 -13.145  -0.790 -10.740
   71    H    LEU   9           H        LEU   9  -8.401  -2.927 -10.324
   72    HA   LEU   9           HA       LEU   9  -6.098  -1.772  -9.266
   73   1HB   LEU   9          2HB       LEU   9  -6.321  -2.536 -12.190
   74   2HB   LEU   9          3HB       LEU   9  -4.883  -2.431 -11.195
   75    HG   LEU   9           HG       LEU   9  -5.227  -4.690 -11.371
   76   1HD1  LEU   9          1HD       LEU   9  -4.874  -3.980  -8.999
   77   2HD1  LEU   9          2HD       LEU   9  -6.635  -4.020  -8.747
   78   3HD1  LEU   9          3HD       LEU   9  -5.770  -5.506  -9.147
   79   1HD2  LEU   9          1HD       LEU   9  -7.226  -5.834 -11.488
   80   2HD2  LEU   9          2HD       LEU   9  -8.097  -4.656 -10.520
   81   3HD2  LEU   9          3HD       LEU   9  -7.692  -4.287 -12.203
   82    H    GLU  10           H        GLU  10  -8.210  -0.492 -11.844
   83    HA   GLU  10           HA       GLU  10  -6.529   1.649 -12.634
   84   1HB   GLU  10          2HB       GLU  10  -9.301   0.835 -13.093
   85   2HB   GLU  10          3HB       GLU  10  -9.231   2.558 -12.758
   86   1HG   GLU  10          2HG       GLU  10  -8.881   2.637 -15.009
   87   2HG   GLU  10          3HG       GLU  10  -7.209   2.559 -14.472
   88    H    GLU  11           H        GLU  11  -8.992   1.461  -9.917
   89    HA   GLU  11           HA       GLU  11  -8.744   4.215  -9.242
   90   1HB   GLU  11          2HB       GLU  11  -9.582   1.731  -7.706
   91   2HB   GLU  11          3HB       GLU  11  -9.581   3.339  -7.017
   92   1HG   GLU  11          2HG       GLU  11 -11.180   2.449  -9.436
   93   2HG   GLU  11          3HG       GLU  11 -11.800   2.709  -7.813
   94    H    ILE  12           H        ILE  12  -6.997   1.240  -8.042
   95    HA   ILE  12           HA       ILE  12  -5.489   2.836  -6.242
   96    HB   ILE  12           HB       ILE  12  -4.666   0.178  -7.513
   97   1HG1  ILE  12          2HG       ILE  12  -5.595  -0.118  -4.839
   98   2HG1  ILE  12          3HG       ILE  12  -6.728   0.968  -5.596
   99   1HG2  ILE  12          1HG       ILE  12  -3.608   0.396  -4.884
  100   2HG2  ILE  12          2HG       ILE  12  -2.723   0.563  -6.395
  101   3HG2  ILE  12          3HG       ILE  12  -3.377   1.991  -5.551
  102   1HD1  ILE  12          1HD       ILE  12  -6.083  -1.906  -6.211
  103   2HD1  ILE  12          2HD       ILE  12  -7.662  -1.093  -6.126
  104   3HD1  ILE  12          3HD       ILE  12  -6.582  -0.866  -7.518
  105    H    LYS  13           H        LYS  13  -5.063   2.181  -9.665
  106    HA   LYS  13           HA       LYS  13  -2.413   3.410  -9.855
  107   1HB   LYS  13          2HB       LYS  13  -4.434   2.239 -11.802
  108   2HB   LYS  13          3HB       LYS  13  -2.974   3.051 -12.377
  109   1HG   LYS  13          2HG       LYS  13  -1.535   1.465 -11.539
  110   2HG   LYS  13          3HG       LYS  13  -2.602   1.008 -10.216
  111   1HD   LYS  13          2HD       LYS  13  -3.493  -0.679 -11.296
  112   2HD   LYS  13          3HD       LYS  13  -3.787   0.226 -12.784
  113   1HE   LYS  13          2HE       LYS  13  -1.005  -0.686 -11.971
  114   2HE   LYS  13          3HE       LYS  13  -2.116  -1.807 -12.772
  115   1HZ   LYS  13          1HZ       LYS  13  -1.930   0.718 -14.086
  116   2HZ   LYS  13          2HZ       LYS  13  -0.496  -0.091 -14.048
  117   3HZ   LYS  13          3HZ       LYS  13  -1.831  -0.800 -14.708
  118    H    LYS  14           H        LYS  14  -5.400   4.777  -9.337
  119    HA   LYS  14           HA       LYS  14  -4.782   7.226 -10.912
  120   1HB   LYS  14          2HB       LYS  14  -7.221   6.121  -9.495
  121   2HB   LYS  14          3HB       LYS  14  -7.113   7.845  -9.818
  122   1HG   LYS  14          2HG       LYS  14  -7.075   7.570 -12.152
  123   2HG   LYS  14          3HG       LYS  14  -6.663   5.842 -12.051
  124   1HD   LYS  14          2HD       LYS  14  -8.838   5.369 -11.001
  125   2HD   LYS  14          3HD       LYS  14  -9.264   7.084 -11.053
  126   1HE   LYS  14          2HE       LYS  14  -8.482   6.372 -13.693
  127   2HE   LYS  14          3HE       LYS  14  -9.420   4.991 -13.092
  128   1HZ   LYS  14          1HZ       LYS  14 -10.313   7.796 -13.128
  129   2HZ   LYS  14          2HZ       LYS  14 -10.877   6.580 -14.091
  130   3HZ   LYS  14          3HZ       LYS  14 -11.152   6.541 -12.457
  131    H    HIS  15           H        HIS  15  -4.387   5.952  -7.689
  132    HA   HIS  15           HA       HIS  15  -4.370   8.665  -6.522
  133   1HB   HIS  15          2HB       HIS  15  -3.751   5.933  -5.362
  134   2HB   HIS  15          3HB       HIS  15  -3.584   7.454  -4.466
  135    HD1  HIS  15           HD1      HIS  15  -5.937   8.888  -4.070
  136    HD2  HIS  15           HD2      HIS  15  -6.235   5.074  -5.804
  137    HE1  HIS  15           HE1      HIS  15  -8.402   8.238  -4.001
  138    H    ASN  16           H        ASN  16  -1.743   7.076  -5.265
  139    HA   ASN  16           HA       ASN  16   0.452   7.592  -5.329
  140   1HB   ASN  16          2HB       ASN  16   1.593   6.792  -7.441
  141   2HB   ASN  16          3HB       ASN  16   0.499   5.657  -6.659
  142   1HD2  ASN  16          1HD       ASN  16   0.410   8.124  -9.294
  143   2HD2  ASN  16          2HD       ASN  16  -0.726   7.170 -10.255
  144    H    HIS  17           H        HIS  17  -0.710   9.965  -5.227
  145    HA   HIS  17           HA       HIS  17   0.839  11.646  -7.095
  146   1HB   HIS  17          2HB       HIS  17  -1.081  13.107  -7.486
  147   2HB   HIS  17          3HB       HIS  17  -1.303  11.501  -8.157
  148    HD1  HIS  17           HD1      HIS  17  -2.511  13.383  -4.969
  149    HD2  HIS  17           HD2      HIS  17  -3.593  10.447  -7.737
  150    HE1  HIS  17           HE1      HIS  17  -4.950  12.768  -4.447
  151    H    SER  18           H        SER  18   2.221  12.577  -5.625
  152    HA   SER  18           HA       SER  18   2.983  13.707  -3.834
  153   1HB   SER  18          2HB       SER  18   0.276  15.002  -4.225
  154   2HB   SER  18          3HB       SER  18   1.452  15.585  -3.029
  155    HG   SER  18           HG       SER  18   1.690  16.595  -5.085
  156    H    LYS  19           H        LYS  19  -0.395  13.480  -2.634
  157    HA   LYS  19           HA       LYS  19   0.729  12.419  -0.096
  158   1HB   LYS  19          2HB       LYS  19  -1.397  14.323  -0.614
  159   2HB   LYS  19          3HB       LYS  19  -2.119  12.885   0.090
  160   1HG   LYS  19          2HG       LYS  19  -1.547  14.090   1.990
  161   2HG   LYS  19          3HG       LYS  19  -0.158  13.010   1.840
  162   1HD   LYS  19          2HD       LYS  19   0.986  14.914   0.516
  163   2HD   LYS  19          3HD       LYS  19  -0.364  15.926   1.051
  164   1HE   LYS  19          2HE       LYS  19   0.898  16.366   2.867
  165   2HE   LYS  19          3HE       LYS  19   0.356  14.786   3.437
  166   1HZ   LYS  19          1HZ       LYS  19   2.860  15.264   1.931
  167   2HZ   LYS  19          2HZ       LYS  19   2.782  15.095   3.553
  168   3HZ   LYS  19          3HZ       LYS  19   2.386  13.829   2.583
  169    H    SER  20           H        SER  20  -2.313  11.885  -1.958
  170    HA   SER  20           HA       SER  20  -3.004   9.408  -1.184
  171   1HB   SER  20          2HB       SER  20  -3.180  10.454  -3.990
  172   2HB   SER  20          3HB       SER  20  -4.207   9.230  -3.215
  173    HG   SER  20           HG       SER  20  -4.979  10.771  -1.805
  174    H    THR  21           H        THR  21  -1.159   8.089  -0.785
  175    HA   THR  21           HA       THR  21   0.129   6.846  -3.135
  176    HB   THR  21           HB       THR  21   1.048   7.809  -0.427
  177    HG1  THR  21          1HG       THR  21   2.472   8.812  -1.742
  178   1HG2  THR  21          1HG       THR  21   1.970   5.730  -0.185
  179   2HG2  THR  21          2HG       THR  21   2.064   5.429  -1.949
  180   3HG2  THR  21          3HG       THR  21   3.228   6.503  -1.169
  181    H    TRP  22           H        TRP  22  -1.580   5.416  -3.358
  182    HA   TRP  22           HA       TRP  22  -1.998   3.483  -1.162
  183   1HB   TRP  22          2HB       TRP  22  -3.178   3.777  -3.950
  184   2HB   TRP  22          3HB       TRP  22  -3.507   2.406  -2.892
  185    HD1  TRP  22           HD1      TRP  22  -3.398   5.294  -0.682
  186    HE1  TRP  22           HE1      TRP  22  -5.716   6.119  -0.093
  187    HE3  TRP  22           HE3      TRP  22  -5.995   2.689  -4.177
  188    HZ2  TRP  22           HZ2      TRP  22  -8.400   5.937  -1.269
  189    HZ3  TRP  22           HZ3      TRP  22  -8.438   3.036  -4.466
  190    HH2  TRP  22           HH2      TRP  22  -9.623   4.693  -3.064
  191    H    LEU  23           H        LEU  23  -1.821   1.163  -2.004
  192    HA   LEU  23           HA       LEU  23  -0.130   0.483  -4.163
  193   1HB   LEU  23          2HB       LEU  23   1.799  -0.405  -2.746
  194   2HB   LEU  23          3HB       LEU  23   1.737   1.294  -3.103
  195    HG   LEU  23           HG       LEU  23   0.597   1.525  -0.716
  196   1HD1  LEU  23          1HD       LEU  23   1.037  -0.100   0.857
  197   2HD1  LEU  23          2HD       LEU  23   0.476  -1.033  -0.540
  198   3HD1  LEU  23          3HD       LEU  23   2.209  -0.942  -0.185
  199   1HD2  LEU  23          1HD       LEU  23   2.586   2.501  -0.337
  200   2HD2  LEU  23          2HD       LEU  23   3.375   0.922  -0.120
  201   3HD2  LEU  23          3HD       LEU  23   3.303   1.672  -1.704
  202    H    ILE  24           H        ILE  24   0.426  -1.952  -3.951
  203    HA   ILE  24           HA       ILE  24  -1.938  -3.207  -2.638
  204    HB   ILE  24           HB       ILE  24  -0.198  -4.171  -4.976
  205   1HG1  ILE  24          2HG       ILE  24  -1.390  -2.391  -5.898
  206   2HG1  ILE  24          3HG       ILE  24  -2.375  -3.798  -6.271
  207   1HG2  ILE  24          1HG       ILE  24  -1.020  -6.119  -4.028
  208   2HG2  ILE  24          2HG       ILE  24  -2.560  -5.373  -3.530
  209   3HG2  ILE  24          3HG       ILE  24  -2.250  -5.749  -5.234
  210   1HD1  ILE  24          1HD       ILE  24  -2.892  -1.583  -4.286
  211   2HD1  ILE  24          2HD       ILE  24  -3.945  -2.223  -5.539
  212   3HD1  ILE  24          3HD       ILE  24  -3.656  -3.150  -4.039
  213    H    LEU  25           H        LEU  25  -1.346  -4.242  -0.786
  214    HA   LEU  25           HA       LEU  25   1.311  -5.536  -0.710
  215   1HB   LEU  25          2HB       LEU  25  -0.166  -4.173   1.521
  216   2HB   LEU  25          3HB       LEU  25   1.076  -5.368   1.836
  217    HG   LEU  25           HG       LEU  25   1.518  -2.944   0.076
  218   1HD1  LEU  25          1HD       LEU  25   0.839  -2.162   2.252
  219   2HD1  LEU  25          2HD       LEU  25   1.991  -3.281   3.042
  220   3HD1  LEU  25          3HD       LEU  25   2.590  -1.913   2.073
  221   1HD2  LEU  25          1HD       LEU  25   3.264  -5.071   1.254
  222   2HD2  LEU  25          2HD       LEU  25   3.264  -4.257  -0.341
  223   3HD2  LEU  25          3HD       LEU  25   3.927  -3.430   1.066
  224    H    HIS  26           H        HIS  26   0.640  -7.456  -1.452
  225    HA   HIS  26           HA       HIS  26  -0.133  -9.571  -1.375
  226   1HB   HIS  26          2HB       HIS  26  -1.191  -9.041   1.417
  227   2HB   HIS  26          3HB       HIS  26  -0.668 -10.561   0.714
  228    HD1  HIS  26           HD1      HIS  26   2.158 -10.600   0.184
  229    HD2  HIS  26           HD2      HIS  26   0.553  -7.671   2.753
  230    HE1  HIS  26           HE1      HIS  26   4.103  -9.688   1.546
  231    H    HIS  27           H        HIS  27  -1.661  -8.841  -3.046
  232    HA   HIS  27           HA       HIS  27  -3.667  -8.387  -3.939
  233   1HB   HIS  27          2HB       HIS  27  -5.342 -10.317  -3.489
  234   2HB   HIS  27          3HB       HIS  27  -3.815 -10.611  -4.282
  235    HD1  HIS  27           HD1      HIS  27  -5.704 -11.651  -1.196
  236    HD2  HIS  27           HD2      HIS  27  -1.830 -11.829  -2.826
  237    HE1  HIS  27           HE1      HIS  27  -4.435 -13.512   0.074
  238    H    LYS  28           H        LYS  28  -3.406  -6.647  -1.805
  239    HA   LYS  28           HA       LYS  28  -6.204  -6.103  -1.097
  240   1HB   LYS  28          2HB       LYS  28  -3.928  -6.683   0.790
  241   2HB   LYS  28          3HB       LYS  28  -5.034  -5.372   1.209
  242   1HG   LYS  28          2HG       LYS  28  -6.749  -6.764   1.723
  243   2HG   LYS  28          3HG       LYS  28  -6.426  -7.836   0.361
  244   1HD   LYS  28          2HD       LYS  28  -4.458  -8.773   1.622
  245   2HD   LYS  28          3HD       LYS  28  -4.985  -7.872   3.046
  246   1HE   LYS  28          2HE       LYS  28  -7.148  -9.013   3.014
  247   2HE   LYS  28          3HE       LYS  28  -6.753  -9.765   1.457
  248   1HZ   LYS  28          1HZ       LYS  28  -4.867 -10.838   2.606
  249   2HZ   LYS  28          2HZ       LYS  28  -5.454 -10.298   4.046
  250   3HZ   LYS  28          3HZ       LYS  28  -6.345 -11.346   3.135
  251    H    VAL  29           H        VAL  29  -6.434  -3.686  -0.526
  252    HA   VAL  29           HA       VAL  29  -4.398  -2.133  -1.958
  253    HB   VAL  29           HB       VAL  29  -7.297  -1.907  -1.210
  254   1HG1  VAL  29          1HG       VAL  29  -6.429   0.244  -2.958
  255   2HG1  VAL  29          2HG       VAL  29  -7.499   0.174  -1.567
  256   3HG1  VAL  29          3HG       VAL  29  -5.744   0.338  -1.335
  257   1HG2  VAL  29          1HG       VAL  29  -7.698  -1.659  -3.638
  258   2HG2  VAL  29          2HG       VAL  29  -5.997  -2.131  -3.884
  259   3HG2  VAL  29          3HG       VAL  29  -7.142  -3.243  -3.095
  260    H    TYR  30           H        TYR  30  -3.250  -0.716  -0.749
  261    HA   TYR  30           HA       TYR  30  -3.857  -0.302   2.093
  262   1HB   TYR  30          2HB       TYR  30  -1.441  -1.155   0.514
  263   2HB   TYR  30          3HB       TYR  30  -1.225  -0.152   1.917
  264    HD1  TYR  30           HD1      TYR  30  -2.779  -3.391   0.805
  265    HD2  TYR  30           HD2      TYR  30  -1.157  -1.079   4.049
  266    HE1  TYR  30           HE1      TYR  30  -2.798  -5.412   2.271
  267    HE2  TYR  30           HE2      TYR  30  -1.291  -3.069   5.510
  268    HH   TYR  30           HH       TYR  30  -1.842  -5.278   5.709
  269    H    ASP  31           H        ASP  31  -3.050   1.742   2.866
  270    HA   ASP  31           HA       ASP  31  -2.508   3.835   0.863
  271   1HB   ASP  31          2HB       ASP  31  -4.919   3.822   1.446
  272   2HB   ASP  31          3HB       ASP  31  -4.495   4.043   3.163
  273    H    LEU  32           H        LEU  32  -0.740   4.828   1.477
  274    HA   LEU  32           HA       LEU  32  -0.093   4.953   4.366
  275   1HB   LEU  32          2HB       LEU  32   2.289   4.852   2.703
  276   2HB   LEU  32          3HB       LEU  32   1.858   3.977   4.172
  277    HG   LEU  32           HG       LEU  32   1.164   3.139   1.349
  278   1HD1  LEU  32          1HD       LEU  32   2.825   1.311   2.012
  279   2HD1  LEU  32          2HD       LEU  32   3.498   2.930   1.809
  280   3HD1  LEU  32          3HD       LEU  32   3.212   2.311   3.433
  281   1HD2  LEU  32          1HD       LEU  32   0.061   2.302   3.926
  282   2HD2  LEU  32          2HD       LEU  32  -0.393   1.836   2.281
  283   3HD2  LEU  32          3HD       LEU  32   0.879   0.949   3.110
  284    H    THR  33           H        THR  33  -1.338   6.861   2.230
  285    HA   THR  33           HA       THR  33   0.328   8.963   1.615
  286    HB   THR  33           HB       THR  33  -2.577   8.785   2.650
  287    HG1  THR  33          1HG       THR  33  -2.862   7.869   0.904
  288   1HG2  THR  33          1HG       THR  33  -2.309  11.039   2.784
  289   2HG2  THR  33          2HG       THR  33  -1.086  11.055   1.500
  290   3HG2  THR  33          3HG       THR  33  -2.817  10.855   1.089
  291    H    LYS  34           H        LYS  34  -1.567   8.510   4.645
  292    HA   LYS  34           HA       LYS  34  -0.402  10.928   5.826
  293   1HB   LYS  34          2HB       LYS  34  -2.759   9.979   6.295
  294   2HB   LYS  34          3HB       LYS  34  -1.949   8.723   7.235
  295   1HG   LYS  34          2HG       LYS  34  -0.800  10.969   8.337
  296   2HG   LYS  34          3HG       LYS  34  -2.316  11.659   7.801
  297   1HD   LYS  34          2HD       LYS  34  -3.583  10.255   9.231
  298   2HD   LYS  34          3HD       LYS  34  -2.251   9.088   9.430
  299   1HE   LYS  34          2HE       LYS  34  -0.943  10.567  10.745
  300   2HE   LYS  34          3HE       LYS  34  -1.966  11.961  10.352
  301   1HZ   LYS  34          1HZ       LYS  34  -3.715  11.028  11.644
  302   2HZ   LYS  34          2HZ       LYS  34  -2.877   9.625  11.898
  303   3HZ   LYS  34          3HZ       LYS  34  -2.344  11.026  12.565
  304    H    PHE  35           H        PHE  35   0.796   7.837   5.213
  305    HA   PHE  35           HA       PHE  35   2.342   7.650   7.715
  306   1HB   PHE  35          2HB       PHE  35   0.886   5.767   6.920
  307   2HB   PHE  35          3HB       PHE  35   1.891   5.670   5.487
  308    HD1  PHE  35          1HD       PHE  35   3.565   4.043   5.471
  309    HD2  PHE  35          2HD       PHE  35   2.454   5.896   9.205
  310    HE1  PHE  35          1HE       PHE  35   5.112   2.577   6.641
  311    HE2  PHE  35          2HE       PHE  35   4.145   4.526  10.379
  312    HZ   PHE  35           HZ       PHE  35   5.476   2.856   9.121
  313    H    LEU  36           H        LEU  36   2.585   8.517   4.422
  314    HA   LEU  36           HA       LEU  36   5.298   7.887   3.757
  315   1HB   LEU  36          2HB       LEU  36   3.384  10.328   3.302
  316   2HB   LEU  36          3HB       LEU  36   4.998  10.322   2.594
  317    HG   LEU  36           HG       LEU  36   2.582   8.636   1.935
  318   1HD1  LEU  36          1HD       LEU  36   3.164  11.033   0.989
  319   2HD1  LEU  36          2HD       LEU  36   4.302  10.126  -0.028
  320   3HD1  LEU  36          3HD       LEU  36   2.553   9.766  -0.058
  321   1HD2  LEU  36          1HD       LEU  36   5.488   8.146   1.425
  322   2HD2  LEU  36          2HD       LEU  36   4.161   7.008   1.785
  323   3HD2  LEU  36          3HD       LEU  36   4.330   7.733   0.162
  324    H    GLU  37           H        GLU  37   4.223  10.951   5.300
  325    HA   GLU  37           HA       GLU  37   6.969  11.416   6.188
  326   1HB   GLU  37          2HB       GLU  37   4.359  12.921   6.602
  327   2HB   GLU  37          3HB       GLU  37   5.922  13.456   7.233
  328   1HG   GLU  37          2HG       GLU  37   6.356  12.823   4.480
  329   2HG   GLU  37          3HG       GLU  37   4.830  13.681   4.532
  330    H    GLU  38           H        GLU  38   5.236   9.037   7.228
  331    HA   GLU  38           HA       GLU  38   5.867   9.453  10.083
  332   1HB   GLU  38          2HB       GLU  38   3.237   9.160   8.915
  333   2HB   GLU  38          3HB       GLU  38   3.593   7.729   9.874
  334   1HG   GLU  38          2HG       GLU  38   4.340   9.461  11.702
  335   2HG   GLU  38          3HG       GLU  38   3.425  10.619  10.731
  336    H    HIS  39           HN       HIS  39   6.689   7.688   7.345
  337    HA   HIS  39           HA       HIS  39   6.682   5.099   8.621
  338   1HB   HIS  39          2HB       HIS  39   6.155   5.174   6.294
  339   2HB   HIS  39          3HB       HIS  39   7.596   6.090   5.919
  340    HD1  HIS  39           HND      HIS  39   9.077   4.659   4.590
  341    HD2  HIS  39           HD       HIS  39   7.110   2.455   7.530
  342    HE1  HIS  39           HE       HIS  39   9.875   2.305   4.314
  343    HA   PRO  40           HA       PRO  40  10.868   5.947  10.034
  344   1HB   PRO  40          2HB       PRO  40  11.335   3.584  11.366
  345   2HB   PRO  40          3HB       PRO  40  10.321   4.907  12.012
  346   1HG   PRO  40          2HG       PRO  40   9.431   2.350  10.702
  347   2HG   PRO  40          3HG       PRO  40   8.705   3.216  12.091
  348   1HD   PRO  40          2HD       PRO  40   7.832   3.347   9.451
  349   2HD   PRO  40          3HD       PRO  40   7.488   4.593  10.687
  350    H    GLY  41           H        GLY  41  11.690   6.078   7.956
  351   1HA   GLY  41          2HA       GLY  41  13.785   4.562   7.243
  352   2HA   GLY  41          3HA       GLY  41  12.461   3.660   6.480
  353    H    GLY  42           H        GLY  42  10.961   4.999   5.080
  354   1HA   GLY  42          2HA       GLY  42  12.015   7.500   4.029
  355   2HA   GLY  42          3HA       GLY  42  12.220   6.166   2.897
  356    H    GLU  43           H        GLU  43  10.323   8.709   3.220
  357    HA   GLU  43           HA       GLU  43   7.713   7.561   2.821
  358   1HB   GLU  43          2HB       GLU  43   7.120   9.833   2.452
  359   2HB   GLU  43          3HB       GLU  43   8.375   9.829   3.694
  360   1HG   GLU  43          2HG       GLU  43   9.945  10.203   1.509
  361   2HG   GLU  43          3HG       GLU  43   8.442  10.928   0.912
  362    H    GLU  44           H        GLU  44  10.303   8.469   0.896
  363    HA   GLU  44           HA       GLU  44   8.871   8.707  -1.682
  364   1HB   GLU  44          2HB       GLU  44  11.064   9.797  -1.525
  365   2HB   GLU  44          3HB       GLU  44  11.869   8.220  -1.408
  366   1HG   GLU  44          2HG       GLU  44  10.974   7.619  -3.686
  367   2HG   GLU  44          3HG       GLU  44  10.198   9.197  -3.786
  368    H    VAL  45           H        VAL  45  10.607   6.068  -0.061
  369    HA   VAL  45           HA       VAL  45  10.354   4.276  -2.304
  370    HB   VAL  45           HB       VAL  45  10.531   2.514  -0.525
  371   1HG1  VAL  45          1HG       VAL  45  12.766   4.562  -0.648
  372   2HG1  VAL  45          2HG       VAL  45  12.923   2.838  -0.223
  373   3HG1  VAL  45          3HG       VAL  45  12.437   3.309  -1.862
  374   1HG2  VAL  45          1HG       VAL  45  11.501   4.594   1.395
  375   2HG2  VAL  45          2HG       VAL  45   9.765   4.237   1.293
  376   3HG2  VAL  45          3HG       VAL  45  10.893   2.950   1.696
  377    H    LEU  46           H        LEU  46   7.996   5.327   0.466
  378    HA   LEU  46           HA       LEU  46   6.295   3.195  -0.438
  379   1HB   LEU  46          2HB       LEU  46   5.595   5.858   0.712
  380   2HB   LEU  46          3HB       LEU  46   4.611   4.397   0.780
  381    HG   LEU  46           HG       LEU  46   7.097   5.214   2.284
  382   1HD1  LEU  46          1HD       LEU  46   4.483   5.120   3.042
  383   2HD1  LEU  46          2HD       LEU  46   5.068   3.539   3.618
  384   3HD1  LEU  46          3HD       LEU  46   5.863   5.031   4.134
  385   1HD2  LEU  46          1HD       LEU  46   7.862   3.033   1.528
  386   2HD2  LEU  46          2HD       LEU  46   7.351   2.899   3.200
  387   3HD2  LEU  46          3HD       LEU  46   6.284   2.317   1.900
  388    H    ARG  47           H        ARG  47   7.104   6.261  -1.964
  389    HA   ARG  47           HA       ARG  47   4.708   6.248  -3.633
  390   1HB   ARG  47          2HB       ARG  47   6.227   8.249  -2.667
  391   2HB   ARG  47          3HB       ARG  47   6.995   8.081  -4.240
  392   1HG   ARG  47          2HG       ARG  47   3.968   8.344  -3.879
  393   2HG   ARG  47          3HG       ARG  47   5.020   9.751  -3.932
  394   1HD   ARG  47          2HD       ARG  47   4.703   7.724  -6.171
  395   2HD   ARG  47          3HD       ARG  47   3.959   9.321  -6.100
  396    HE   ARG  47           HE       ARG  47   6.587   9.909  -5.759
  397   1HH1  ARG  47          2HH       ARG  47   4.907   7.993  -8.193
  398   2HH1  ARG  47          1HH       ARG  47   5.991   8.368  -9.485
  399   1HH2  ARG  47          2HH       ARG  47   8.100  10.387  -7.440
  400   2HH2  ARG  47          1HH       ARG  47   7.866   9.762  -9.030
  401    H    GLU  48           H        GLU  48   8.028   5.059  -3.885
  402    HA   GLU  48           HA       GLU  48   8.117   5.016  -6.783
  403   1HB   GLU  48          2HB       GLU  48   9.737   3.995  -4.503
  404   2HB   GLU  48          3HB       GLU  48   9.836   3.006  -5.944
  405   1HG   GLU  48          2HG       GLU  48  10.068   5.907  -6.531
  406   2HG   GLU  48          3HG       GLU  48  11.309   5.316  -5.433
  407    H    GLN  49           H        GLN  49   6.586   2.959  -4.445
  408    HA   GLN  49           HA       GLN  49   5.943   0.980  -6.599
  409   1HB   GLN  49          2HB       GLN  49   5.953   0.736  -3.578
  410   2HB   GLN  49          3HB       GLN  49   5.625  -0.578  -4.730
  411   1HG   GLN  49          2HG       GLN  49   8.289   0.917  -4.546
  412   2HG   GLN  49          3HG       GLN  49   7.918  -0.582  -3.724
  413   1HE2  GLN  49          1HE       GLN  49   9.932  -1.235  -5.085
  414   2HE2  GLN  49          2HE       GLN  49   9.566  -1.854  -6.685
  415    H    ALA  50           H        ALA  50   4.682   3.655  -5.337
  416    HA   ALA  50           HA       ALA  50   2.162   2.853  -4.330
  417   1HB   ALA  50          1HB       ALA  50   3.056   5.056  -3.912
  418   2HB   ALA  50          2HB       ALA  50   2.935   5.477  -5.641
  419   3HB   ALA  50          3HB       ALA  50   1.471   5.185  -4.658
  420    H    GLY  51           H        GLY  51   0.076   2.842  -5.294
  421   1HA   GLY  51          2HA       GLY  51  -1.457   2.258  -6.898
  422   2HA   GLY  51          3HA       GLY  51  -0.508   3.213  -8.046
  423    H    GLY  52           H        GLY  52   1.161   0.607  -6.363
  424   1HA   GLY  52          2HA       GLY  52   1.025  -1.210  -8.659
  425   2HA   GLY  52          3HA       GLY  52   2.567  -0.404  -8.256
  426    H    ASP  53           H        ASP  53   3.180  -2.818  -7.867
  427    HA   ASP  53           HA       ASP  53   1.960  -3.938  -5.423
  428   1HB   ASP  53          2HB       ASP  53   2.774  -5.057  -7.880
  429   2HB   ASP  53          3HB       ASP  53   3.986  -5.600  -6.724
  430    H    ALA  54           H        ALA  54   2.897  -2.817  -3.710
  431    HA   ALA  54           HA       ALA  54   5.859  -2.551  -3.738
  432   1HB   ALA  54          1HB       ALA  54   4.060  -1.819  -1.430
  433   2HB   ALA  54          2HB       ALA  54   5.658  -1.183  -1.879
  434   3HB   ALA  54          3HB       ALA  54   4.230  -0.755  -2.854
  435    H    THR  55           H        THR  55   3.630  -4.979  -2.964
  436    HA   THR  55           HA       THR  55   4.497  -5.913  -0.487
  437    HB   THR  55           HB       THR  55   2.968  -6.909  -2.753
  438    HG1  THR  55          1HG       THR  55   3.092  -7.590   0.005
  439   1HG2  THR  55          1HG       THR  55   4.669  -8.672  -3.029
  440   2HG2  THR  55          2HG       THR  55   4.551  -9.064  -1.292
  441   3HG2  THR  55          3HG       THR  55   3.161  -9.310  -2.369
  442    H    GLU  56           H        GLU  56   6.075  -6.253  -3.649
  443    HA   GLU  56           HA       GLU  56   7.926  -8.259  -2.971
  444   1HB   GLU  56          2HB       GLU  56   8.182  -5.842  -4.800
  445   2HB   GLU  56          3HB       GLU  56   9.317  -7.208  -4.777
  446   1HG   GLU  56          2HG       GLU  56   7.574  -8.772  -5.420
  447   2HG   GLU  56          3HG       GLU  56   6.325  -7.528  -5.314
  448    H    ASN  57           H        ASN  57   8.254  -4.669  -2.658
  449    HA   ASN  57           HA       ASN  57  10.854  -4.783  -1.428
  450   1HB   ASN  57          2HB       ASN  57   8.675  -2.720  -1.709
  451   2HB   ASN  57          3HB       ASN  57   9.803  -2.508  -0.379
  452   1HD2  ASN  57          1HD       ASN  57  12.132  -2.265  -0.822
  453   2HD2  ASN  57          2HD       ASN  57  12.589  -1.718  -2.427
  454    H    PHE  58           H        PHE  58   7.567  -4.531  -0.059
  455    HA   PHE  58           HA       PHE  58   8.340  -4.337   2.647
  456   1HB   PHE  58          2HB       PHE  58   6.158  -3.783   1.654
  457   2HB   PHE  58          3HB       PHE  58   5.826  -5.492   1.407
  458    HD1  PHE  58          1HD       PHE  58   5.321  -6.966   3.320
  459    HD2  PHE  58          2HD       PHE  58   5.936  -2.740   3.832
  460    HE1  PHE  58          1HE       PHE  58   4.213  -7.065   5.519
  461    HE2  PHE  58          2HE       PHE  58   4.882  -2.851   6.079
  462    HZ   PHE  58           HZ       PHE  58   4.023  -5.003   6.936
  463    H    GLU  59           H        GLU  59   8.118  -7.205   0.565
  464    HA   GLU  59           HA       GLU  59   8.469  -9.080   2.803
  465   1HB   GLU  59          2HB       GLU  59   8.051  -9.186  -0.188
  466   2HB   GLU  59          3HB       GLU  59   8.766 -10.574   0.598
  467   1HG   GLU  59          2HG       GLU  59   6.322  -9.429   1.914
  468   2HG   GLU  59          3HG       GLU  59   6.087 -10.230   0.355
  469    H    ASP  60           H        ASP  60  10.403  -7.483   0.281
  470    HA   ASP  60           HA       ASP  60  12.587  -9.254   0.263
  471   1HB   ASP  60          2HB       ASP  60  11.907  -6.938  -1.126
  472   2HB   ASP  60          3HB       ASP  60  13.237  -6.366  -0.152
  473    H    VAL  61           H        VAL  61  12.029  -6.221   2.019
  474    HA   VAL  61           HA       VAL  61  14.444  -6.425   3.606
  475    HB   VAL  61           HB       VAL  61  13.178  -4.317   3.084
  476   1HG1  VAL  61          1HG       VAL  61  11.288  -3.673   4.421
  477   2HG1  VAL  61          2HG       VAL  61  10.880  -5.147   3.523
  478   3HG1  VAL  61          3HG       VAL  61  11.263  -5.234   5.260
  479   1HG2  VAL  61          1HG       VAL  61  14.856  -4.253   4.818
  480   2HG2  VAL  61          2HG       VAL  61  13.458  -3.287   5.328
  481   3HG2  VAL  61          3HG       VAL  61  13.717  -4.904   6.020
  482    H    GLY  62           H        GLY  62  11.066  -7.606   3.987
  483   1HA   GLY  62          2HA       GLY  62  10.437  -9.455   5.226
  484   2HA   GLY  62          3HA       GLY  62  12.061  -9.534   5.950
  485    H    HIS  63           HN       HIS  63   9.367  -7.163   5.738
  486    HA   HIS  63           HA       HIS  63  10.125  -5.581   7.768
  487   1HB   HIS  63          2HB       HIS  63   7.460  -6.181   6.521
  488   2HB   HIS  63          3HB       HIS  63   7.395  -5.297   8.028
  489    HD1  HIS  63           HND      HIS  63   8.897  -4.914   4.557
  490    HD2  HIS  63           HD       HIS  63   7.862  -2.702   7.959
  491    HE1  HIS  63           HE       HIS  63   9.134  -2.492   3.897
  492    H    SER  64           H        SER  64   9.357  -5.124   9.918
  493    HA   SER  64           HA       SER  64   9.750  -7.208  11.703
  494   1HB   SER  64          2HB       SER  64   8.123  -4.947  12.706
  495   2HB   SER  64          3HB       SER  64   9.721  -5.497  13.223
  496    HG   SER  64           HG       SER  64  10.631  -4.111  11.842
  497    H    THR  65           H        THR  65   8.218  -8.378  13.197
  498    HA   THR  65           HA       THR  65   5.877  -9.221  11.948
  499    HB   THR  65           HB       THR  65   6.886  -9.294  14.819
  500    HG1  THR  65          1HG       THR  65   7.395 -11.453  14.023
  501   1HG2  THR  65          1HG       THR  65   5.365 -11.257  15.076
  502   2HG2  THR  65          2HG       THR  65   4.506  -9.721  14.903
  503   3HG2  THR  65          3HG       THR  65   4.609 -10.831  13.515
  504    H    ASP  66           H        ASP  66   6.243  -6.906  14.726
  505    HA   ASP  66           HA       ASP  66   3.474  -6.308  14.882
  506   1HB   ASP  66          2HB       ASP  66   5.691  -5.671  16.344
  507   2HB   ASP  66          3HB       ASP  66   5.449  -4.141  15.499
  508    H    ALA  67           H        ALA  67   5.984  -5.307  12.662
  509    HA   ALA  67           HA       ALA  67   4.611  -2.989  11.650
  510   1HB   ALA  67          1HB       ALA  67   6.270  -2.892   9.937
  511   2HB   ALA  67          2HB       ALA  67   7.062  -3.201  11.494
  512   3HB   ALA  67          3HB       ALA  67   6.855  -4.515  10.313
  513    H    ARG  68           H        ARG  68   4.654  -6.516  10.859
  514    HA   ARG  68           HA       ARG  68   2.921  -6.157   8.560
  515   1HB   ARG  68          2HB       ARG  68   4.031  -8.434  10.175
  516   2HB   ARG  68          3HB       ARG  68   2.568  -8.751   9.226
  517   1HG   ARG  68          2HG       ARG  68   3.558  -8.246   7.213
  518   2HG   ARG  68          3HG       ARG  68   4.827  -7.223   7.933
  519   1HD   ARG  68          2HD       ARG  68   6.027  -9.118   8.753
  520   2HD   ARG  68          3HD       ARG  68   4.728 -10.233   8.255
  521    HE   ARG  68           HE       ARG  68   5.369  -8.914   5.941
  522   1HH1  ARG  68          2HH       ARG  68   7.327 -10.750   8.237
  523   2HH1  ARG  68          1HH       ARG  68   8.358 -11.426   7.014
  524   1HH2  ARG  68          2HH       ARG  68   6.722  -9.793   4.330
  525   2HH2  ARG  68          1HH       ARG  68   7.861 -10.967   4.669
  526    H    GLU  69           H        GLU  69   2.235  -5.801  11.915
  527    HA   GLU  69           HA       GLU  69  -0.637  -6.573  11.455
  528   1HB   GLU  69          2HB       GLU  69   1.145  -6.149  13.875
  529   2HB   GLU  69          3HB       GLU  69  -0.610  -6.106  14.037
  530   1HG   GLU  69          2HG       GLU  69   0.437  -8.426  12.480
  531   2HG   GLU  69          3HG       GLU  69   0.916  -8.391  14.178
  532    H    LEU  70           H        LEU  70   1.314  -3.598  12.493
  533    HA   LEU  70           HA       LEU  70  -1.050  -2.159  12.923
  534   1HB   LEU  70          2HB       LEU  70   0.331  -0.473  13.389
  535   2HB   LEU  70          3HB       LEU  70   1.480  -1.763  13.467
  536    HG   LEU  70           HG       LEU  70   2.516   0.072  12.519
  537   1HD1  LEU  70          1HD       LEU  70   3.673  -1.080  10.952
  538   2HD1  LEU  70          2HD       LEU  70   2.678  -2.417  11.578
  539   3HD1  LEU  70          3HD       LEU  70   2.231  -1.614  10.087
  540   1HD2  LEU  70          1HD       LEU  70   0.214   0.833  11.533
  541   2HD2  LEU  70          2HD       LEU  70   1.763   1.378  10.836
  542   3HD2  LEU  70          3HD       LEU  70   0.843   0.086  10.049
  543    H    SER  71           H        SER  71   0.756  -2.871  10.075
  544    HA   SER  71           HA       SER  71  -0.392  -1.127   8.196
  545   1HB   SER  71          2HB       SER  71   0.142  -4.021   7.475
  546   2HB   SER  71          3HB       SER  71   0.323  -2.537   6.501
  547    HG   SER  71           HG       SER  71   2.041  -3.592   8.361
  548    H    LYS  72           H        LYS  72  -2.026  -3.649   9.943
  549    HA   LYS  72           HA       LYS  72  -4.111  -4.167   8.087
  550   1HB   LYS  72          2HB       LYS  72  -3.355  -5.401  10.236
  551   2HB   LYS  72          3HB       LYS  72  -4.332  -4.211  11.126
  552   1HG   LYS  72          2HG       LYS  72  -6.348  -4.909   9.908
  553   2HG   LYS  72          3HG       LYS  72  -5.369  -5.913   8.818
  554   1HD   LYS  72          2HD       LYS  72  -4.610  -7.120  11.057
  555   2HD   LYS  72          3HD       LYS  72  -6.094  -6.387  11.707
  556   1HE   LYS  72          2HE       LYS  72  -7.031  -7.344   9.329
  557   2HE   LYS  72          3HE       LYS  72  -5.692  -8.477   9.576
  558   1HZ   LYS  72          1HZ       LYS  72  -7.725  -9.313  10.520
  559   2HZ   LYS  72          2HZ       LYS  72  -6.655  -9.004  11.737
  560   3HZ   LYS  72          3HZ       LYS  72  -7.910  -7.972  11.455
  561    H    THR  73           H        THR  73  -3.434  -1.336  10.035
  562    HA   THR  73           HA       THR  73  -6.124  -0.239   9.668
  563    HB   THR  73           HB       THR  73  -4.562   0.066  11.715
  564    HG1  THR  73          1HG       THR  73  -5.923   2.183  10.421
  565   1HG2  THR  73          1HG       THR  73  -3.111   1.941  11.737
  566   2HG2  THR  73          2HG       THR  73  -2.644   1.046  10.281
  567   3HG2  THR  73          3HG       THR  73  -3.651   2.497  10.144
  568    H    PHE  74           H        PHE  74  -3.268  -0.439   7.793
  569    HA   PHE  74           HA       PHE  74  -3.710   2.071   6.286
  570   1HB   PHE  74          2HB       PHE  74  -1.764  -0.240   5.986
  571   2HB   PHE  74          3HB       PHE  74  -1.830   1.163   4.925
  572    HD1  PHE  74          1HD       PHE  74  -2.412   2.328   8.253
  573    HD2  PHE  74          2HD       PHE  74   0.615   0.873   5.551
  574    HE1  PHE  74          1HE       PHE  74  -0.654   3.256   9.720
  575    HE2  PHE  74          2HE       PHE  74   2.342   1.938   6.919
  576    HZ   PHE  74           HZ       PHE  74   1.718   3.033   9.057
  577    H    ILE  75           H        ILE  75  -4.659  -1.354   6.209
  578    HA   ILE  75           HA       ILE  75  -5.175  -1.430   3.431
  579    HB   ILE  75           HB       ILE  75  -5.507  -3.135   5.664
  580   1HG1  ILE  75          2HG       ILE  75  -6.316  -3.708   2.806
  581   2HG1  ILE  75          3HG       ILE  75  -4.654  -3.425   3.284
  582   1HG2  ILE  75          1HG       ILE  75  -8.151  -2.886   4.162
  583   2HG2  ILE  75          2HG       ILE  75  -7.705  -4.187   5.280
  584   3HG2  ILE  75          3HG       ILE  75  -7.884  -2.547   5.900
  585   1HD1  ILE  75          1HD       ILE  75  -6.435  -5.706   4.170
  586   2HD1  ILE  75          2HD       ILE  75  -4.851  -5.755   3.376
  587   3HD1  ILE  75          3HD       ILE  75  -4.951  -5.259   5.057
  588    H    ILE  76           H        ILE  76  -6.416  -0.186   2.273
  589    HA   ILE  76           HA       ILE  76  -8.789   1.072   3.588
  590    HB   ILE  76           HB       ILE  76  -8.730   2.797   1.930
  591   1HG1  ILE  76          2HG       ILE  76  -6.304   2.716   0.585
  592   2HG1  ILE  76          3HG       ILE  76  -6.706   1.035   0.603
  593   1HG2  ILE  76          1HG       ILE  76  -6.012   2.475   3.182
  594   2HG2  ILE  76          2HG       ILE  76  -6.831   3.996   2.730
  595   3HG2  ILE  76          3HG       ILE  76  -7.464   2.995   4.047
  596   1HD1  ILE  76          1HD       ILE  76  -8.549   3.312  -0.247
  597   2HD1  ILE  76          2HD       ILE  76  -7.515   2.381  -1.348
  598   3HD1  ILE  76          3HD       ILE  76  -8.820   1.573  -0.495
  599    H    GLY  77           H        GLY  77  -8.124  -1.669   1.886
  600   1HA   GLY  77          2HA       GLY  77 -10.687  -2.338   1.438
  601   2HA   GLY  77          3HA       GLY  77 -10.294  -1.456  -0.057
  602    H    GLU  78           H        GLU  78 -10.658  -3.718  -1.036
  603    HA   GLU  78           HA       GLU  78  -8.017  -5.000  -1.133
  604   1HB   GLU  78          2HB       GLU  78  -9.099  -7.199  -1.446
  605   2HB   GLU  78          3HB       GLU  78  -9.262  -6.558   0.189
  606   1HG   GLU  78          2HG       GLU  78 -11.540  -6.181  -0.002
  607   2HG   GLU  78          3HG       GLU  78 -11.483  -5.958  -1.754
  608    H    LEU  79           H        LEU  79  -7.903  -6.361  -3.211
  609    HA   LEU  79           HA       LEU  79  -8.523  -4.745  -5.508
  610   1HB   LEU  79          2HB       LEU  79  -7.326  -7.460  -4.831
  611   2HB   LEU  79          3HB       LEU  79  -7.846  -7.149  -6.478
  612    HG   LEU  79           HG       LEU  79  -6.299  -5.540  -6.881
  613   1HD1  LEU  79          1HD       LEU  79  -5.920  -5.068  -3.916
  614   2HD1  LEU  79          2HD       LEU  79  -4.912  -4.391  -5.212
  615   3HD1  LEU  79          3HD       LEU  79  -6.611  -3.962  -5.147
  616   1HD2  LEU  79          1HD       LEU  79  -4.613  -6.829  -4.790
  617   2HD2  LEU  79          2HD       LEU  79  -5.267  -7.871  -6.084
  618   3HD2  LEU  79          3HD       LEU  79  -4.218  -6.491  -6.479
  619    H    HIS  80           H        HIS  80 -10.145  -4.973  -6.931
  620    HA   HIS  80           HA       HIS  80 -12.626  -5.876  -6.107
  621   1HB   HIS  80          2HB       HIS  80 -11.416  -5.055  -8.686
  622   2HB   HIS  80          3HB       HIS  80 -12.759  -6.171  -8.877
  623    HD1  HIS  80           HD1      HIS  80 -14.638  -4.519  -9.643
  624    HD2  HIS  80           HD2      HIS  80 -12.580  -3.436  -6.144
  625    HE1  HIS  80           HE1      HIS  80 -15.887  -2.504  -8.645
  626    HA   PRO  81           HA       PRO  81 -12.640 -10.142  -6.450
  627   1HB   PRO  81          2HB       PRO  81 -15.338 -10.713  -6.645
  628   2HB   PRO  81          3HB       PRO  81 -14.572 -10.038  -5.176
  629   1HG   PRO  81          2HG       PRO  81 -16.133  -8.594  -7.311
  630   2HG   PRO  81          3HG       PRO  81 -16.154  -8.354  -5.534
  631   1HD   PRO  81          2HD       PRO  81 -14.698  -6.794  -7.328
  632   2HD   PRO  81          3HD       PRO  81 -14.283  -7.006  -5.604
  633    H    ASP  82           H        ASP  82 -11.479 -10.148  -8.326
  634    HA   ASP  82           HA       ASP  82 -12.157 -11.827 -10.390
  635   1HB   ASP  82          2HB       ASP  82 -13.041  -9.022 -10.990
  636   2HB   ASP  82          3HB       ASP  82 -12.056  -9.786 -12.225
  637    H    ASP  83           H        ASP  83 -10.355  -8.889  -9.375
  638    HA   ASP  83           HA       ASP  83  -8.301  -9.055 -11.242
  639   1HB   ASP  83          2HB       ASP  83  -7.761  -8.125  -8.415
  640   2HB   ASP  83          3HB       ASP  83  -7.101  -7.527  -9.913
  641    H    ARG  84           H        ARG  84  -8.929 -11.002  -8.513
  642    HA   ARG  84           HA       ARG  84  -6.168 -12.037  -8.302
  643   1HB   ARG  84          2HB       ARG  84  -7.749 -11.144  -6.414
  644   2HB   ARG  84          3HB       ARG  84  -8.556 -12.698  -6.566
  645   1HG   ARG  84          2HG       ARG  84  -5.582 -12.882  -6.333
  646   2HG   ARG  84          3HG       ARG  84  -6.328 -12.075  -4.964
  647   1HD   ARG  84          2HD       ARG  84  -7.009 -14.010  -4.067
  648   2HD   ARG  84          3HD       ARG  84  -7.848 -14.464  -5.540
  649    HE   ARG  84           HE       ARG  84  -6.078 -15.689  -6.271
  650   1HH1  ARG  84          2HH       ARG  84  -5.015 -13.771  -3.483
  651   2HH1  ARG  84          1HH       ARG  84  -3.553 -14.621  -3.208
  652   1HH2  ARG  84          2HH       ARG  84  -4.126 -16.913  -5.907
  653   2HH2  ARG  84          1HH       ARG  84  -3.023 -16.460  -4.657
  654    H    SER  85           H        SER  85  -8.673 -12.734 -10.255
  655    HA   SER  85           HA       SER  85  -9.604 -14.513 -11.260
  656   1HB   SER  85          2HB       SER  85  -6.804 -15.582 -10.767
  657   2HB   SER  85          3HB       SER  85  -7.970 -16.290 -11.902
  658    HG   SER  85           HG       SER  85  -7.207 -13.555 -11.989
  659    H    LYS  86           H        LYS  86 -10.309 -14.439  -8.504
  660    HA   LYS  86           HA       LYS  86 -11.018 -17.219  -8.008
  661   1HB   LYS  86          2HB       LYS  86  -8.571 -16.115  -6.825
  662   2HB   LYS  86          3HB       LYS  86  -9.690 -16.582  -5.559
  663   1HG   LYS  86          2HG       LYS  86  -9.087 -18.497  -7.834
  664   2HG   LYS  86          3HG       LYS  86  -7.963 -18.301  -6.485
  665   1HD   LYS  86          2HD       LYS  86  -9.775 -18.839  -4.884
  666   2HD   LYS  86          3HD       LYS  86 -10.900 -19.088  -6.246
  667   1HE   LYS  86          2HE       LYS  86  -9.323 -20.831  -7.151
  668   2HE   LYS  86          3HE       LYS  86  -8.275 -20.572  -5.748
  669   1HZ   LYS  86          1HZ       LYS  86 -10.337 -21.166  -4.413
  670   2HZ   LYS  86          2HZ       LYS  86 -10.949 -21.775  -5.814
  671   3HZ   LYS  86          3HZ       LYS  86  -9.558 -22.390  -5.187
  672    H    LEU  87           H        LEU  87 -10.726 -13.938  -6.581
  673    HA   LEU  87           HA       LEU  87 -12.733 -14.260  -4.573
  674   1HB   LEU  87          2HB       LEU  87 -11.533 -11.918  -6.061
  675   2HB   LEU  87          3HB       LEU  87 -12.923 -11.704  -5.002
  676    HG   LEU  87           HG       LEU  87 -10.975 -13.171  -3.494
  677   1HD1  LEU  87          1HD       LEU  87  -9.089 -12.370  -4.521
  678   2HD1  LEU  87          2HD       LEU  87  -9.867 -10.858  -5.093
  679   3HD1  LEU  87          3HD       LEU  87  -9.378 -11.039  -3.413
  680   1HD2  LEU  87          1HD       LEU  87 -11.182 -11.095  -2.061
  681   2HD2  LEU  87          2HD       LEU  87 -12.109 -10.354  -3.366
  682   3HD2  LEU  87          3HD       LEU  87 -12.738 -11.792  -2.535
  683    H    SER  88           H        SER  88 -14.554 -15.235  -5.346
  684    HA   SER  88           HA       SER  88 -16.511 -15.591  -6.326
  685   1HB   SER  88          2HB       SER  88 -17.027 -13.232  -5.706
  686   2HB   SER  88          3HB       SER  88 -16.431 -12.734  -7.297
  687    HG   SER  88           HG       SER  88 -18.835 -13.739  -6.610
  688    H    LYS  89           H        LYS  89 -17.606 -15.426  -8.596
  689    HA   LYS  89           HA       LYS  89 -15.835 -15.283 -10.862
  690   1HB   LYS  89          2HB       LYS  89 -15.119 -17.464 -10.027
  691   2HB   LYS  89          3HB       LYS  89 -16.794 -18.047  -9.997
  692   1HG   LYS  89          2HG       LYS  89 -16.960 -17.829 -12.423
  693   2HG   LYS  89          3HG       LYS  89 -15.381 -17.032 -12.507
  694   1HD   LYS  89          2HD       LYS  89 -14.309 -19.013 -12.599
  695   2HD   LYS  89          3HD       LYS  89 -15.089 -19.562 -11.116
  696   1HE   LYS  89          2HE       LYS  89 -15.612 -21.102 -12.911
  697   2HE   LYS  89          3HE       LYS  89 -17.083 -20.270 -12.379
  698   1HZ   LYS  89          1HZ       LYS  89 -15.497 -19.467 -14.736
  699   2HZ   LYS  89          2HZ       LYS  89 -16.842 -20.413 -14.806
  700   3HZ   LYS  89          3HZ       LYS  89 -16.956 -18.858 -14.279
  701    HA   PRO  90           HA       PRO  90 -20.312 -14.565 -11.577
  702   1HB   PRO  90          2HB       PRO  90 -20.017 -12.284 -13.116
  703   2HB   PRO  90          3HB       PRO  90 -20.080 -12.293 -11.332
  704   1HG   PRO  90          2HG       PRO  90 -17.683 -12.026 -13.122
  705   2HG   PRO  90          3HG       PRO  90 -17.996 -11.275 -11.529
  706   1HD   PRO  90          2HD       PRO  90 -16.420 -13.549 -12.014
  707   2HD   PRO  90          3HD       PRO  90 -17.087 -13.083 -10.421
  708    H    MET  91           H        MET  91 -21.348 -14.082 -13.932
  709    HA   MET  91           HA       MET  91 -19.750 -15.139 -16.121
  710   1HB   MET  91          2HB       MET  91 -20.729 -17.160 -14.840
  711   2HB   MET  91          3HB       MET  91 -22.324 -16.564 -15.303
  712   1HG   MET  91          2HG       MET  91 -20.828 -16.544 -17.702
  713   2HG   MET  91          3HG       MET  91 -20.284 -17.990 -16.859
  714   1HE   MET  91          1HE       MET  91 -23.314 -16.003 -18.272
  715   2HE   MET  91          2HE       MET  91 -22.428 -16.873 -19.547
  716   3HE   MET  91          3HE       MET  91 -24.107 -17.320 -19.172
  717    H    GLU  92           H        GLU  92 -20.307 -13.660 -17.757
  718    HA   GLU  92           HA       GLU  92 -23.160 -13.004 -18.017
  719   1HB   GLU  92          2HB       GLU  92 -22.629 -10.708 -18.669
  720   2HB   GLU  92          3HB       GLU  92 -22.260 -11.009 -16.974
  721   1HG   GLU  92          2HG       GLU  92 -19.947 -10.881 -17.292
  722   2HG   GLU  92          3HG       GLU  92 -20.036 -11.303 -19.003
  723    H    THR  93           H        THR  93 -23.442 -12.029 -20.355
  724    HA   THR  93           HA       THR  93 -21.493 -12.968 -22.253
  725    HB   THR  93           HB       THR  93 -22.889 -15.001 -21.719
  726    HG1  THR  93          1HG       THR  93 -23.160 -15.478 -23.926
  727   1HG2  THR  93          1HG       THR  93 -25.138 -15.202 -22.249
  728   2HG2  THR  93          2HG       THR  93 -25.105 -13.535 -21.643
  729   3HG2  THR  93          3HG       THR  93 -25.111 -13.844 -23.388
  730    H    LEU  94           H        LEU  94 -22.866 -12.592 -24.518
  731    HA   LEU  94           HA       LEU  94 -23.336  -9.685 -24.512
  732   1HB   LEU  94          2HB       LEU  94 -21.988 -10.854 -26.286
  733   2HB   LEU  94          3HB       LEU  94 -23.421 -11.810 -26.696
  734    HG   LEU  94           HG       LEU  94 -24.587  -9.600 -27.293
  735   1HD1  LEU  94          1HD       LEU  94 -21.709  -8.568 -27.243
  736   2HD1  LEU  94          2HD       LEU  94 -23.156  -7.684 -27.780
  737   3HD1  LEU  94          3HD       LEU  94 -22.964  -8.103 -26.071
  738   1HD2  LEU  94          1HD       LEU  94 -22.104 -10.464 -28.823
  739   2HD2  LEU  94          2HD       LEU  94 -23.727 -11.179 -28.945
  740   3HD2  LEU  94          3HD       LEU  94 -23.459  -9.512 -29.480
  741    HHA  HEM  95          MHG       HEM  95  12.000  -0.316   8.880
  742    HHB  HEM  95          MHD       HEM  95   5.612  -0.023   9.491
  743    HHC  HEM  95          MHA       HEM  95   5.012  -0.195   3.093
  744    HHD  HEM  95          MHB       HEM  95  11.440   0.047   2.480
  745   1HMA  HEM  95          1HM       HEM  95   8.037  -0.446  12.423
  746   2HMA  HEM  95          2HM       HEM  95   7.057   0.850  11.718
  747   3HMA  HEM  95          3HM       HEM  95   6.580  -0.843  11.505
  748   1HAA  HEM  95          1HP       HEM  95  11.167  -1.494  10.830
  749   2HAA  HEM  95          2HP       HEM  95  10.152  -0.934  12.142
  750   1HBA  HEM  95          3HP       HEM  95  11.205   1.120  12.310
  751   2HBA  HEM  95          4HP       HEM  95  11.597   1.192  10.598
  752   1HMB  HEM  95          1HM       HEM  95   3.613  -1.018   8.689
  753   2HMB  HEM  95          2HM       HEM  95   3.290   0.736   8.692
  754   3HMB  HEM  95          3HM       HEM  95   2.351  -0.367   7.637
  755    HAB  HEM  95          AHT       HEM  95   2.750   0.396   4.181
  756   1HBB  HEM  95          CHV       HEM  95   2.584  -2.277   5.590
  757   2HBB  HEM  95          THV       HEM  95   1.277  -1.443   4.558
  758   1HMC  HEM  95          1HM       HEM  95   5.550  -1.033   1.128
  759   2HMC  HEM  95          2HM       HEM  95   6.108   0.396   0.241
  760   3HMC  HEM  95          3HM       HEM  95   6.887  -1.200   0.004
  761    HAC  HEM  95          AHT       HEM  95  10.642  -0.171   0.425
  762   1HBC  HEM  95          THV       HEM  95   9.715   0.478  -1.650
  763   2HBC  HEM  95          CHV       HEM  95   8.024   0.646  -0.918
  764   1HMD  HEM  95          1HM       HEM  95  14.098  -0.779   3.571
  765   2HMD  HEM  95          2HM       HEM  95  13.462   0.809   3.083
  766   3HMD  HEM  95          3HM       HEM  95  14.646   0.709   4.372
  767   1HAD  HEM  95          1HP       HEM  95  13.886   0.787   7.915
  768   2HAD  HEM  95          2HP       HEM  95  14.855   0.461   6.502
  769   1HBD  HEM  95          3HP       HEM  95  13.889  -2.084   7.332
  770   2HBD  HEM  95          4HP       HEM  95  14.325  -1.236   8.816
  Start of MODEL    4
    1   1H    ASP   1           H1       ASP   1 -18.436  -0.542  10.144
    2   2H    ASP   1           H2       ASP   1 -17.046   0.048   9.495
    3   3H    ASP   1           H3       ASP   1 -18.335   1.057   9.635
    4    HA   ASP   1           HA       ASP   1 -19.423   0.250   7.896
    5   1HB   ASP   1          2HB       ASP   1 -16.466  -0.103   7.449
    6   2HB   ASP   1          3HB       ASP   1 -17.627  -0.500   6.153
    7    H    LYS   2           H        LYS   2 -19.952  -1.594   6.445
    8    HA   LYS   2           HA       LYS   2 -19.469  -4.220   7.818
    9   1HB   LYS   2          2HB       LYS   2 -21.932  -3.249   6.307
   10   2HB   LYS   2          3HB       LYS   2 -21.632  -4.945   6.727
   11   1HG   LYS   2          2HG       LYS   2 -21.522  -4.360   9.127
   12   2HG   LYS   2          3HG       LYS   2 -21.798  -2.658   8.730
   13   1HD   LYS   2          2HD       LYS   2 -23.958  -3.762   7.469
   14   2HD   LYS   2          3HD       LYS   2 -23.699  -4.976   8.726
   15   1HE   LYS   2          2HE       LYS   2 -25.181  -3.437   9.723
   16   2HE   LYS   2          3HE       LYS   2 -23.600  -3.000  10.392
   17   1HZ   LYS   2          1HZ       LYS   2 -24.909  -1.669   8.097
   18   2HZ   LYS   2          2HZ       LYS   2 -24.871  -1.078   9.630
   19   3HZ   LYS   2          3HZ       LYS   2 -23.476  -1.225   8.770
   20    H    ASP   3           H        ASP   3 -19.905  -2.491   4.702
   21    HA   ASP   3           HA       ASP   3 -18.915  -4.735   3.173
   22   1HB   ASP   3          2HB       ASP   3 -20.415  -2.478   2.592
   23   2HB   ASP   3          3HB       ASP   3 -18.822  -1.968   2.037
   24    H    VAL   4           H        VAL   4 -17.026  -3.730   1.501
   25    HA   VAL   4           HA       VAL   4 -14.806  -2.930   3.317
   26    HB   VAL   4           HB       VAL   4 -14.507  -4.491   0.735
   27   1HG1  VAL   4          1HG       VAL   4 -12.308  -4.391   1.230
   28   2HG1  VAL   4          2HG       VAL   4 -12.672  -3.350   2.627
   29   3HG1  VAL   4          3HG       VAL   4 -12.591  -5.102   2.819
   30   1HG2  VAL   4          1HG       VAL   4 -15.212  -5.569   3.460
   31   2HG2  VAL   4          2HG       VAL   4 -15.905  -5.959   1.871
   32   3HG2  VAL   4          3HG       VAL   4 -14.284  -6.532   2.283
   33    H    LYS   5           H        LYS   5 -13.496  -2.812   0.484
   34    HA   LYS   5           HA       LYS   5 -14.537  -0.142  -0.243
   35   1HB   LYS   5          2HB       LYS   5 -11.992  -0.756   0.886
   36   2HB   LYS   5          3HB       LYS   5 -11.756  -0.008  -0.696
   37   1HG   LYS   5          2HG       LYS   5 -13.475   1.152   1.559
   38   2HG   LYS   5          3HG       LYS   5 -11.839   1.670   1.123
   39   1HD   LYS   5          2HD       LYS   5 -12.872   3.192  -0.130
   40   2HD   LYS   5          3HD       LYS   5 -12.965   1.862  -1.301
   41   1HE   LYS   5          2HE       LYS   5 -15.263   1.720   0.420
   42   2HE   LYS   5          3HE       LYS   5 -15.061   3.394  -0.123
   43   1HZ   LYS   5          1HZ       LYS   5 -16.366   2.184  -1.708
   44   2HZ   LYS   5          2HZ       LYS   5 -14.915   2.550  -2.403
   45   3HZ   LYS   5          3HZ       LYS   5 -15.210   1.031  -1.900
   46    H    TYR   6           H        TYR   6 -12.713  -2.979  -1.286
   47    HA   TYR   6           HA       TYR   6 -12.095  -3.746  -3.311
   48   1HB   TYR   6          2HB       TYR   6 -15.073  -3.255  -3.374
   49   2HB   TYR   6          3HB       TYR   6 -14.227  -4.022  -4.704
   50    HD1  TYR   6           HD1      TYR   6 -15.744  -4.645  -1.484
   51    HD2  TYR   6           HD2      TYR   6 -12.802  -6.066  -4.288
   52    HE1  TYR   6           HE1      TYR   6 -15.909  -6.902  -0.503
   53    HE2  TYR   6           HE2      TYR   6 -12.951  -8.331  -3.318
   54    HH   TYR   6           HH       TYR   6 -15.322  -9.166  -0.784
   55    H    TYR   7           H        TYR   7 -10.545  -2.200  -4.262
   56    HA   TYR   7           HA       TYR   7 -11.789  -0.199  -6.006
   57   1HB   TYR   7          2HB       TYR   7  -9.229  -0.515  -4.410
   58   2HB   TYR   7          3HB       TYR   7  -9.258   0.498  -5.797
   59    HD1  TYR   7           HD1      TYR   7  -9.463   0.692  -2.374
   60    HD2  TYR   7           HD2      TYR   7 -11.655   1.987  -5.850
   61    HE1  TYR   7           HE1      TYR   7 -10.376   2.635  -1.100
   62    HE2  TYR   7           HE2      TYR   7 -12.536   3.914  -4.606
   63    HH   TYR   7           HH       TYR   7 -12.263   5.202  -2.626
   64    H    THR   8           H        THR   8 -10.735   0.120  -8.104
   65    HA   THR   8           HA       THR   8 -10.110  -2.478  -9.345
   66    HB   THR   8           HB       THR   8 -10.261  -0.970 -11.438
   67    HG1  THR   8          1HG       THR   8 -11.419   1.015 -10.939
   68   1HG2  THR   8          1HG       THR   8 -12.654  -1.050  -9.570
   69   2HG2  THR   8          2HG       THR   8 -12.728  -0.855 -11.332
   70   3HG2  THR   8          3HG       THR   8 -12.122  -2.375 -10.648
   71    H    LEU   9           H        LEU   9  -8.177  -2.680 -10.715
   72    HA   LEU   9           HA       LEU   9  -5.854  -1.565  -9.560
   73   1HB   LEU   9          2HB       LEU   9  -6.116  -2.559 -12.421
   74   2HB   LEU   9          3HB       LEU   9  -4.638  -2.322 -11.495
   75    HG   LEU   9           HG       LEU   9  -4.974  -4.599 -11.397
   76   1HD1  LEU   9          1HD       LEU   9  -5.343  -5.134  -9.080
   77   2HD1  LEU   9          2HD       LEU   9  -4.548  -3.550  -9.142
   78   3HD1  LEU   9          3HD       LEU   9  -6.291  -3.665  -8.807
   79   1HD2  LEU   9          1HD       LEU   9  -6.926  -5.762 -11.359
   80   2HD2  LEU   9          2HD       LEU   9  -7.781  -4.604 -10.339
   81   3HD2  LEU   9          3HD       LEU   9  -7.545  -4.285 -12.081
   82    H    GLU  10           H        GLU  10  -7.757  -0.419 -12.416
   83    HA   GLU  10           HA       GLU  10  -5.976   1.756 -12.934
   84   1HB   GLU  10          2HB       GLU  10  -8.724   1.013 -13.799
   85   2HB   GLU  10          3HB       GLU  10  -8.322   2.735 -13.834
   86   1HG   GLU  10          2HG       GLU  10  -6.094   1.954 -15.012
   87   2HG   GLU  10          3HG       GLU  10  -7.005   0.483 -15.360
   88    H    GLU  11           H        GLU  11  -8.237   1.349 -10.305
   89    HA   GLU  11           HA       GLU  11  -8.315   4.221  -9.795
   90   1HB   GLU  11          2HB       GLU  11 -10.235   2.731  -9.359
   91   2HB   GLU  11          3HB       GLU  11  -9.303   1.902  -8.105
   92   1HG   GLU  11          2HG       GLU  11 -10.823   3.522  -7.145
   93   2HG   GLU  11          3HG       GLU  11  -9.163   4.006  -6.838
   94    H    ILE  12           H        ILE  12  -6.515   1.328  -8.639
   95    HA   ILE  12           HA       ILE  12  -5.378   2.863  -6.437
   96    HB   ILE  12           HB       ILE  12  -4.661   0.121  -7.514
   97   1HG1  ILE  12          2HG       ILE  12  -6.283   0.416  -5.016
   98   2HG1  ILE  12          3HG       ILE  12  -7.098   0.910  -6.449
   99   1HG2  ILE  12          1HG       ILE  12  -2.950   0.250  -6.035
  100   2HG2  ILE  12          2HG       ILE  12  -3.618   1.694  -5.239
  101   3HG2  ILE  12          3HG       ILE  12  -4.156   0.071  -4.778
  102   1HD1  ILE  12          1HD       ILE  12  -6.426  -1.300  -7.537
  103   2HD1  ILE  12          2HD       ILE  12  -5.758  -1.790  -5.996
  104   3HD1  ILE  12          3HD       ILE  12  -7.512  -1.471  -6.157
  105    H    LYS  13           H        LYS  13  -4.422   1.858  -9.647
  106    HA   LYS  13           HA       LYS  13  -1.680   2.806  -9.481
  107   1HB   LYS  13          2HB       LYS  13  -1.292   1.742 -11.465
  108   2HB   LYS  13          3HB       LYS  13  -2.534   0.748 -10.722
  109   1HG   LYS  13          2HG       LYS  13  -4.145   2.338 -12.149
  110   2HG   LYS  13          3HG       LYS  13  -2.703   2.549 -13.141
  111   1HD   LYS  13          2HD       LYS  13  -3.793  -0.187 -12.368
  112   2HD   LYS  13          3HD       LYS  13  -4.275   0.650 -13.845
  113   1HE   LYS  13          2HE       LYS  13  -2.219   0.405 -14.847
  114   2HE   LYS  13          3HE       LYS  13  -1.343   0.280 -13.310
  115   1HZ   LYS  13          1HZ       LYS  13  -1.583  -1.839 -14.555
  116   2HZ   LYS  13          2HZ       LYS  13  -2.140  -1.898 -13.009
  117   3HZ   LYS  13          3HZ       LYS  13  -3.203  -1.799 -14.265
  118    H    LYS  14           H        LYS  14  -4.175   4.666  -9.246
  119    HA   LYS  14           HA       LYS  14  -3.077   6.720 -11.101
  120   1HB   LYS  14          2HB       LYS  14  -5.286   7.611 -11.423
  121   2HB   LYS  14          3HB       LYS  14  -5.283   5.905 -11.882
  122   1HG   LYS  14          2HG       LYS  14  -6.481   5.249 -10.034
  123   2HG   LYS  14          3HG       LYS  14  -6.121   6.647  -9.048
  124   1HD   LYS  14          2HD       LYS  14  -7.682   7.011 -11.602
  125   2HD   LYS  14          3HD       LYS  14  -8.497   6.435 -10.133
  126   1HE   LYS  14          2HE       LYS  14  -7.848   8.293  -8.840
  127   2HE   LYS  14          3HE       LYS  14  -6.674   8.851 -10.047
  128   1HZ   LYS  14          1HZ       LYS  14  -8.767  10.104 -10.052
  129   2HZ   LYS  14          2HZ       LYS  14  -8.481   9.377 -11.504
  130   3HZ   LYS  14          3HZ       LYS  14  -9.589   8.733 -10.462
  131    H    HIS  15           H        HIS  15  -2.703   5.890  -8.117
  132    HA   HIS  15           HA       HIS  15  -3.466   8.482  -6.876
  133   1HB   HIS  15          2HB       HIS  15  -2.849   5.749  -5.771
  134   2HB   HIS  15          3HB       HIS  15  -2.645   7.197  -4.774
  135    HD1  HIS  15           HD1      HIS  15  -4.901   8.907  -4.810
  136    HD2  HIS  15           HD2      HIS  15  -5.340   4.872  -5.858
  137    HE1  HIS  15           HE1      HIS  15  -7.376   8.325  -4.457
  138    H    ASN  16           H        ASN  16  -0.791   6.891  -5.524
  139    HA   ASN  16           HA       ASN  16   1.276   7.744  -5.164
  140   1HB   ASN  16          2HB       ASN  16   2.703   7.943  -7.256
  141   2HB   ASN  16          3HB       ASN  16   1.925   6.402  -6.980
  142   1HD2  ASN  16          1HD       ASN  16   0.173   5.721  -8.375
  143   2HD2  ASN  16          2HD       ASN  16  -0.099   6.566  -9.898
  144    H    HIS  17           H        HIS  17  -0.637   9.713  -4.806
  145    HA   HIS  17           HA       HIS  17   0.724  12.153  -5.862
  146   1HB   HIS  17          2HB       HIS  17  -2.161  11.544  -5.206
  147   2HB   HIS  17          3HB       HIS  17  -1.567  13.200  -5.179
  148    HD1  HIS  17           HD1      HIS  17  -0.341  13.999  -7.646
  149    HD2  HIS  17           HD2      HIS  17  -2.877  10.645  -7.556
  150    HE1  HIS  17           HE1      HIS  17  -1.090  13.590 -10.046
  151    H    SER  18           H        SER  18   0.586  14.008  -4.342
  152    HA   SER  18           HA       SER  18   1.591  13.225  -1.738
  153   1HB   SER  18          2HB       SER  18   2.454  15.071  -3.312
  154   2HB   SER  18          3HB       SER  18   1.076  16.041  -2.772
  155    HG   SER  18           HG       SER  18   1.981  15.383  -0.562
  156    H    LYS  19           H        LYS  19  -0.790  12.256  -1.525
  157    HA   LYS  19           HA       LYS  19  -2.170  13.493   0.545
  158   1HB   LYS  19          2HB       LYS  19  -2.997  15.175  -1.051
  159   2HB   LYS  19          3HB       LYS  19  -3.536  13.898  -2.142
  160   1HG   LYS  19          2HG       LYS  19  -5.146  13.174  -0.194
  161   2HG   LYS  19          3HG       LYS  19  -4.658  14.681   0.590
  162   1HD   LYS  19          2HD       LYS  19  -6.676  15.125  -0.632
  163   2HD   LYS  19          3HD       LYS  19  -5.364  15.804  -1.628
  164   1HE   LYS  19          2HE       LYS  19  -5.422  13.152  -2.455
  165   2HE   LYS  19          3HE       LYS  19  -7.118  13.398  -2.077
  166   1HZ   LYS  19          1HZ       LYS  19  -6.314  13.924  -4.405
  167   2HZ   LYS  19          2HZ       LYS  19  -7.270  15.057  -3.689
  168   3HZ   LYS  19          3HZ       LYS  19  -5.641  15.288  -3.781
  169    H    SER  20           H        SER  20  -2.316  11.256  -2.283
  170    HA   SER  20           HA       SER  20  -3.651   9.266  -0.520
  171   1HB   SER  20          2HB       SER  20  -4.349   9.959  -3.380
  172   2HB   SER  20          3HB       SER  20  -4.962   8.548  -2.473
  173    HG   SER  20           HG       SER  20  -6.223   9.832  -1.330
  174    H    THR  21           H        THR  21  -2.114   7.706  -0.356
  175    HA   THR  21           HA       THR  21  -0.541   6.910  -2.759
  176    HB   THR  21           HB       THR  21   0.385   7.367   0.099
  177    HG1  THR  21          1HG       THR  21   0.292   9.108  -1.469
  178   1HG2  THR  21          1HG       THR  21   1.368   5.344  -1.703
  179   2HG2  THR  21          2HG       THR  21   2.563   6.646  -1.613
  180   3HG2  THR  21          3HG       THR  21   1.990   5.861  -0.128
  181    H    TRP  22           H        TRP  22  -1.723   5.135  -3.241
  182    HA   TRP  22           HA       TRP  22  -2.232   3.198  -1.070
  183   1HB   TRP  22          2HB       TRP  22  -3.323   3.464  -3.897
  184   2HB   TRP  22          3HB       TRP  22  -3.702   2.110  -2.816
  185    HD1  TRP  22           HD1      TRP  22  -3.712   4.751  -0.507
  186    HE1  TRP  22           HE1      TRP  22  -5.893   5.882  -0.152
  187    HE3  TRP  22           HE3      TRP  22  -6.116   2.689  -4.441
  188    HZ2  TRP  22           HZ2      TRP  22  -8.537   5.939  -1.545
  189    HZ3  TRP  22           HZ3      TRP  22  -8.480   3.257  -4.919
  190    HH2  TRP  22           HH2      TRP  22  -9.640   4.925  -3.579
  191    H    LEU  23           H        LEU  23  -1.990   0.880  -1.989
  192    HA   LEU  23           HA       LEU  23  -0.194   0.390  -4.139
  193   1HB   LEU  23          2HB       LEU  23   1.758  -0.407  -2.851
  194   2HB   LEU  23          3HB       LEU  23   1.504   1.303  -2.658
  195    HG   LEU  23           HG       LEU  23   0.293   0.820  -0.446
  196   1HD1  LEU  23          1HD       LEU  23   1.283  -1.338   0.552
  197   2HD1  LEU  23          2HD       LEU  23  -0.106  -1.528  -0.497
  198   3HD1  LEU  23          3HD       LEU  23   1.508  -1.828  -1.160
  199   1HD2  LEU  23          1HD       LEU  23   2.868   0.132   0.372
  200   2HD2  LEU  23          2HD       LEU  23   3.162   0.843  -1.207
  201   3HD2  LEU  23          3HD       LEU  23   2.285   1.775   0.000
  202    H    ILE  24           H        ILE  24   0.607  -2.049  -3.793
  203    HA   ILE  24           HA       ILE  24  -1.732  -3.525  -2.739
  204    HB   ILE  24           HB       ILE  24   0.071  -4.055  -5.154
  205   1HG1  ILE  24          2HG       ILE  24  -2.903  -3.472  -5.106
  206   2HG1  ILE  24          3HG       ILE  24  -1.668  -2.249  -5.393
  207   1HG2  ILE  24          1HG       ILE  24  -1.180  -6.061  -3.687
  208   2HG2  ILE  24          2HG       ILE  24  -2.316  -5.742  -5.008
  209   3HG2  ILE  24          3HG       ILE  24  -0.635  -6.160  -5.365
  210   1HD1  ILE  24          1HD       ILE  24  -2.542  -4.444  -7.223
  211   2HD1  ILE  24          2HD       ILE  24  -2.137  -2.748  -7.559
  212   3HD1  ILE  24          3HD       ILE  24  -0.841  -3.922  -7.284
  213    H    LEU  25           H        LEU  25  -0.697  -4.008  -0.681
  214    HA   LEU  25           HA       LEU  25   1.829  -5.534  -0.880
  215   1HB   LEU  25          2HB       LEU  25   0.561  -3.835   1.237
  216   2HB   LEU  25          3HB       LEU  25   1.505  -5.220   1.788
  217    HG   LEU  25           HG       LEU  25   2.605  -3.136  -0.104
  218   1HD1  LEU  25          1HD       LEU  25   3.425  -3.411   2.754
  219   2HD1  LEU  25          2HD       LEU  25   3.440  -1.979   1.690
  220   3HD1  LEU  25          3HD       LEU  25   1.911  -2.540   2.392
  221   1HD2  LEU  25          1HD       LEU  25   3.942  -5.331   1.465
  222   2HD2  LEU  25          2HD       LEU  25   3.703  -5.189  -0.288
  223   3HD2  LEU  25          3HD       LEU  25   4.737  -4.027   0.513
  224    H    HIS  26           H        HIS  26   0.875  -7.376  -1.653
  225    HA   HIS  26           HA       HIS  26   0.330  -9.557  -1.286
  226   1HB   HIS  26          2HB       HIS  26  -0.769  -8.952   1.483
  227   2HB   HIS  26          3HB       HIS  26  -0.188 -10.461   0.845
  228    HD1  HIS  26           HD1      HIS  26   2.661 -10.385   0.308
  229    HD2  HIS  26           HD2      HIS  26   0.921  -7.576   2.919
  230    HE1  HIS  26           HE1      HIS  26   4.562  -9.398   1.713
  231    H    HIS  27           H        HIS  27  -1.240  -8.887  -3.004
  232    HA   HIS  27           HA       HIS  27  -3.283  -8.434  -3.901
  233   1HB   HIS  27          2HB       HIS  27  -3.965 -10.835  -2.163
  234   2HB   HIS  27          3HB       HIS  27  -4.856 -10.311  -3.592
  235    HD1  HIS  27           HD1      HIS  27  -3.832 -10.970  -5.956
  236    HD2  HIS  27           HD2      HIS  27  -1.532 -12.005  -2.581
  237    HE1  HIS  27           HE1      HIS  27  -1.968 -12.518  -6.780
  238    H    LYS  28           H        LYS  28  -3.122  -6.545  -1.985
  239    HA   LYS  28           HA       LYS  28  -5.879  -6.229  -1.019
  240   1HB   LYS  28          2HB       LYS  28  -3.447  -6.685   0.646
  241   2HB   LYS  28          3HB       LYS  28  -4.458  -5.311   1.155
  242   1HG   LYS  28          2HG       LYS  28  -6.115  -6.669   1.912
  243   2HG   LYS  28          3HG       LYS  28  -5.969  -7.729   0.513
  244   1HD   LYS  28          2HD       LYS  28  -3.736  -8.531   1.768
  245   2HD   LYS  28          3HD       LYS  28  -4.613  -7.991   3.190
  246   1HE   LYS  28          2HE       LYS  28  -5.933  -9.655   1.032
  247   2HE   LYS  28          3HE       LYS  28  -4.982 -10.439   2.305
  248   1HZ   LYS  28          1HZ       LYS  28  -6.962  -8.507   3.148
  249   2HZ   LYS  28          2HZ       LYS  28  -7.573  -9.782   2.416
  250   3HZ   LYS  28          3HZ       LYS  28  -6.633 -10.009   3.792
  251    H    VAL  29           H        VAL  29  -6.000  -3.679  -0.181
  252    HA   VAL  29           HA       VAL  29  -4.111  -2.117  -1.791
  253    HB   VAL  29           HB       VAL  29  -7.078  -2.065  -1.395
  254   1HG1  VAL  29          1HG       VAL  29  -6.146   0.192  -1.072
  255   2HG1  VAL  29          2HG       VAL  29  -5.499   0.131  -2.716
  256   3HG1  VAL  29          3HG       VAL  29  -7.263   0.054  -2.425
  257   1HG2  VAL  29          1HG       VAL  29  -6.783  -1.619  -3.984
  258   2HG2  VAL  29          2HG       VAL  29  -5.343  -2.632  -3.698
  259   3HG2  VAL  29          3HG       VAL  29  -6.983  -3.203  -3.275
  260    H    TYR  30           H        TYR  30  -2.856  -1.060  -0.303
  261    HA   TYR  30           HA       TYR  30  -4.007  -0.414   2.327
  262   1HB   TYR  30          2HB       TYR  30  -1.196  -0.604   1.187
  263   2HB   TYR  30          3HB       TYR  30  -1.604  -0.098   2.798
  264    HD1  TYR  30           HD1      TYR  30  -1.859  -1.643   4.557
  265    HD2  TYR  30           HD2      TYR  30  -2.075  -3.004   0.488
  266    HE1  TYR  30           HE1      TYR  30  -1.908  -4.006   5.328
  267    HE2  TYR  30           HE2      TYR  30  -2.105  -5.300   1.274
  268    HH   TYR  30           HH       TYR  30  -1.507  -6.215   4.681
  269    H    ASP  31           H        ASP  31  -3.246   1.753   3.140
  270    HA   ASP  31           HA       ASP  31  -2.722   3.780   1.071
  271   1HB   ASP  31          2HB       ASP  31  -5.121   3.925   1.537
  272   2HB   ASP  31          3HB       ASP  31  -4.789   3.952   3.287
  273    H    LEU  32           H        LEU  32  -0.735   4.341   1.632
  274    HA   LEU  32           HA       LEU  32  -0.118   4.627   4.530
  275   1HB   LEU  32          2HB       LEU  32   2.074   4.677   2.518
  276   2HB   LEU  32          3HB       LEU  32   2.005   4.004   4.142
  277    HG   LEU  32           HG       LEU  32   1.014   2.765   1.575
  278   1HD1  LEU  32          1HD       LEU  32   3.365   2.543   2.031
  279   2HD1  LEU  32          2HD       LEU  32   3.044   1.992   3.703
  280   3HD1  LEU  32          3HD       LEU  32   2.598   0.986   2.320
  281   1HD2  LEU  32          1HD       LEU  32  -0.575   1.744   2.742
  282   2HD2  LEU  32          2HD       LEU  32   0.705   0.809   3.523
  283   3HD2  LEU  32          3HD       LEU  32   0.054   2.280   4.301
  284    H    THR  33           H        THR  33  -1.559   6.491   2.527
  285    HA   THR  33           HA       THR  33   0.124   8.695   1.931
  286    HB   THR  33           HB       THR  33  -2.567   8.035   1.682
  287    HG1  THR  33          1HG       THR  33  -1.265  10.430   1.017
  288   1HG2  THR  33          1HG       THR  33  -3.794   9.948   2.276
  289   2HG2  THR  33          2HG       THR  33  -3.050   9.365   3.725
  290   3HG2  THR  33          3HG       THR  33  -2.304  10.761   2.881
  291    H    LYS  34           H        LYS  34  -1.684   8.027   4.920
  292    HA   LYS  34           HA       LYS  34  -0.589  10.515   6.042
  293   1HB   LYS  34          2HB       LYS  34  -2.953   9.134   6.399
  294   2HB   LYS  34          3HB       LYS  34  -2.061   8.616   7.831
  295   1HG   LYS  34          2HG       LYS  34  -2.132  11.547   7.029
  296   2HG   LYS  34          3HG       LYS  34  -3.547  10.826   7.786
  297   1HD   LYS  34          2HD       LYS  34  -2.366  10.240   9.775
  298   2HD   LYS  34          3HD       LYS  34  -0.794  10.619   9.067
  299   1HE   LYS  34          2HE       LYS  34  -1.285  12.967   8.938
  300   2HE   LYS  34          3HE       LYS  34  -2.944  12.688   9.504
  301   1HZ   LYS  34          1HZ       LYS  34  -2.063  13.034  11.513
  302   2HZ   LYS  34          2HZ       LYS  34  -1.411  11.523  11.402
  303   3HZ   LYS  34          3HZ       LYS  34  -0.507  12.830  11.003
  304    H    PHE  35           H        PHE  35   0.700   7.571   5.430
  305    HA   PHE  35           HA       PHE  35   2.289   7.471   7.908
  306   1HB   PHE  35          2HB       PHE  35   0.855   5.543   7.252
  307   2HB   PHE  35          3HB       PHE  35   1.772   5.410   5.770
  308    HD1  PHE  35          1HD       PHE  35   2.634   5.848   9.431
  309    HD2  PHE  35          2HD       PHE  35   3.387   3.735   5.741
  310    HE1  PHE  35          1HE       PHE  35   4.411   4.539  10.530
  311    HE2  PHE  35          2HE       PHE  35   4.986   2.324   6.857
  312    HZ   PHE  35           HZ       PHE  35   5.650   2.836   9.259
  313    H    LEU  36           H        LEU  36   2.394   8.314   4.610
  314    HA   LEU  36           HA       LEU  36   4.940   7.542   3.727
  315   1HB   LEU  36          2HB       LEU  36   3.200  10.092   3.430
  316   2HB   LEU  36          3HB       LEU  36   4.812  10.060   2.703
  317    HG   LEU  36           HG       LEU  36   2.390   8.388   1.960
  318   1HD1  LEU  36          1HD       LEU  36   2.684   9.541  -0.184
  319   2HD1  LEU  36          2HD       LEU  36   2.487  10.720   1.127
  320   3HD1  LEU  36          3HD       LEU  36   4.100  10.398   0.438
  321   1HD2  LEU  36          1HD       LEU  36   3.994   7.553   0.153
  322   2HD2  LEU  36          2HD       LEU  36   5.300   8.178   1.185
  323   3HD2  LEU  36          3HD       LEU  36   4.187   6.936   1.816
  324    H    GLU  37           H        GLU  37   4.580  10.864   5.086
  325    HA   GLU  37           HA       GLU  37   7.366  10.823   5.774
  326   1HB   GLU  37          2HB       GLU  37   6.745  12.929   6.980
  327   2HB   GLU  37          3HB       GLU  37   6.334  12.907   5.270
  328   1HG   GLU  37          2HG       GLU  37   4.086  12.935   5.605
  329   2HG   GLU  37          3HG       GLU  37   4.144  11.927   7.044
  330    H    GLU  38           H        GLU  38   4.681   9.347   7.262
  331    HA   GLU  38           HA       GLU  38   5.786   9.489   9.995
  332   1HB   GLU  38          2HB       GLU  38   3.178   9.306   8.798
  333   2HB   GLU  38          3HB       GLU  38   3.396   7.880   9.795
  334   1HG   GLU  38          2HG       GLU  38   4.164  10.527  11.003
  335   2HG   GLU  38          3HG       GLU  38   2.458  10.255  10.685
  336    H    HIS  39           HN       HIS  39   6.603   7.714   7.345
  337    HA   HIS  39           HA       HIS  39   6.559   5.136   8.628
  338   1HB   HIS  39          2HB       HIS  39   5.956   5.070   6.371
  339   2HB   HIS  39          3HB       HIS  39   7.294   6.045   5.885
  340    HD1  HIS  39           HND      HIS  39   8.930   4.608   4.515
  341    HD2  HIS  39           HD       HIS  39   6.995   2.400   7.481
  342    HE1  HIS  39           HE       HIS  39   9.681   2.297   4.210
  343    HA   PRO  40           HA       PRO  40  10.683   5.950  10.150
  344   1HB   PRO  40          2HB       PRO  40  11.100   3.515  11.414
  345   2HB   PRO  40          3HB       PRO  40  10.150   4.874  12.080
  346   1HG   PRO  40          2HG       PRO  40   9.184   2.347  10.855
  347   2HG   PRO  40          3HG       PRO  40   8.411   3.350  12.110
  348   1HD   PRO  40          2HD       PRO  40   7.800   3.279   9.359
  349   2HD   PRO  40          3HD       PRO  40   7.259   4.522  10.532
  350    H    GLY  41           H        GLY  41  11.530   6.090   8.009
  351   1HA   GLY  41          2HA       GLY  41  13.742   4.666   7.421
  352   2HA   GLY  41          3HA       GLY  41  12.485   3.677   6.646
  353    H    GLY  42           H        GLY  42  10.821   5.077   5.352
  354   1HA   GLY  42          2HA       GLY  42  11.968   7.435   4.052
  355   2HA   GLY  42          3HA       GLY  42  11.806   6.001   3.024
  356    H    GLU  43           H        GLU  43  10.392   7.995   2.391
  357    HA   GLU  43           HA       GLU  43   7.524   7.203   2.620
  358   1HB   GLU  43          2HB       GLU  43   7.200   9.617   1.776
  359   2HB   GLU  43          3HB       GLU  43   7.702   9.397   3.449
  360   1HG   GLU  43          2HG       GLU  43   9.843  10.187   3.134
  361   2HG   GLU  43          3HG       GLU  43   9.851   9.895   1.403
  362    H    GLU  44           H        GLU  44  10.039   8.319   0.491
  363    HA   GLU  44           HA       GLU  44   8.517   8.386  -1.968
  364   1HB   GLU  44          2HB       GLU  44  10.483   8.508  -3.180
  365   2HB   GLU  44          3HB       GLU  44  10.882   9.297  -1.663
  366   1HG   GLU  44          2HG       GLU  44  11.685   6.438  -2.427
  367   2HG   GLU  44          3HG       GLU  44  12.714   7.844  -2.534
  368    H    VAL  45           H        VAL  45  10.132   5.868  -0.200
  369    HA   VAL  45           HA       VAL  45   9.898   3.854  -2.260
  370    HB   VAL  45           HB       VAL  45   9.935   2.308  -0.211
  371   1HG1  VAL  45          1HG       VAL  45  12.195   4.003  -1.207
  372   2HG1  VAL  45          2HG       VAL  45  12.472   2.778   0.050
  373   3HG1  VAL  45          3HG       VAL  45  11.824   2.303  -1.533
  374   1HG2  VAL  45          1HG       VAL  45   9.540   4.524   1.329
  375   2HG2  VAL  45          2HG       VAL  45  10.237   2.987   1.869
  376   3HG2  VAL  45          3HG       VAL  45  11.298   4.328   1.411
  377    H    LEU  46           H        LEU  46   7.556   5.051   0.548
  378    HA   LEU  46           HA       LEU  46   5.805   2.909  -0.401
  379   1HB   LEU  46          2HB       LEU  46   5.103   5.599   0.603
  380   2HB   LEU  46          3HB       LEU  46   4.189   4.110   0.839
  381    HG   LEU  46           HG       LEU  46   6.662   5.181   2.212
  382   1HD1  LEU  46          1HD       LEU  46   4.710   3.413   3.579
  383   2HD1  LEU  46          2HD       LEU  46   5.631   4.790   4.172
  384   3HD1  LEU  46          3HD       LEU  46   4.218   5.075   3.149
  385   1HD2  LEU  46          1HD       LEU  46   6.927   2.778   3.263
  386   2HD2  LEU  46          2HD       LEU  46   6.270   2.234   1.710
  387   3HD2  LEU  46          3HD       LEU  46   7.771   3.170   1.792
  388    H    ARG  47           H        ARG  47   6.732   5.912  -2.005
  389    HA   ARG  47           HA       ARG  47   4.362   5.916  -3.719
  390   1HB   ARG  47          2HB       ARG  47   5.961   7.953  -2.864
  391   2HB   ARG  47          3HB       ARG  47   6.699   7.605  -4.433
  392   1HG   ARG  47          2HG       ARG  47   4.120   7.615  -5.235
  393   2HG   ARG  47          3HG       ARG  47   3.929   8.612  -3.786
  394   1HD   ARG  47          2HD       ARG  47   5.730   9.084  -6.186
  395   2HD   ARG  47          3HD       ARG  47   4.330  10.057  -5.696
  396    HE   ARG  47           HE       ARG  47   5.996  10.169  -3.515
  397   1HH1  ARG  47          2HH       ARG  47   6.368  10.928  -6.932
  398   2HH1  ARG  47          1HH       ARG  47   7.627  12.096  -6.720
  399   1HH2  ARG  47          2HH       ARG  47   7.683  11.742  -3.170
  400   2HH2  ARG  47          1HH       ARG  47   8.375  12.577  -4.505
  401    H    GLU  48           H        GLU  48   7.596   4.510  -3.842
  402    HA   GLU  48           HA       GLU  48   7.770   4.629  -6.755
  403   1HB   GLU  48          2HB       GLU  48   9.342   3.426  -4.508
  404   2HB   GLU  48          3HB       GLU  48   9.381   2.548  -6.030
  405   1HG   GLU  48          2HG       GLU  48   9.868   5.034  -6.987
  406   2HG   GLU  48          3HG       GLU  48  10.574   5.183  -5.373
  407    H    GLN  49           H        GLN  49   6.515   2.293  -4.412
  408    HA   GLN  49           HA       GLN  49   5.647   0.486  -6.594
  409   1HB   GLN  49          2HB       GLN  49   5.884   0.259  -3.566
  410   2HB   GLN  49          3HB       GLN  49   5.174  -0.972  -4.631
  411   1HG   GLN  49          2HG       GLN  49   7.431  -1.497  -3.999
  412   2HG   GLN  49          3HG       GLN  49   7.208  -1.371  -5.757
  413   1HE2  GLN  49          1HE       GLN  49   9.253  -0.797  -6.492
  414   2HE2  GLN  49          2HE       GLN  49  10.126   0.590  -5.850
  415    H    ALA  50           H        ALA  50   4.527   3.157  -4.960
  416    HA   ALA  50           HA       ALA  50   1.959   2.566  -4.146
  417   1HB   ALA  50          1HB       ALA  50   3.166   4.966  -5.457
  418   2HB   ALA  50          2HB       ALA  50   1.434   4.946  -5.034
  419   3HB   ALA  50          3HB       ALA  50   2.647   4.734  -3.766
  420    H    GLY  51           H        GLY  51  -0.055   2.435  -5.087
  421   1HA   GLY  51          2HA       GLY  51  -1.586   1.744  -6.644
  422   2HA   GLY  51          3HA       GLY  51  -0.673   2.745  -7.786
  423    H    GLY  52           H        GLY  52   1.131   0.163  -6.215
  424   1HA   GLY  52          2HA       GLY  52   0.953  -1.646  -8.512
  425   2HA   GLY  52          3HA       GLY  52   2.464  -0.747  -8.193
  426    H    ASP  53           H        ASP  53   3.091  -3.231  -7.950
  427    HA   ASP  53           HA       ASP  53   2.204  -4.418  -5.413
  428   1HB   ASP  53          2HB       ASP  53   2.487  -5.709  -7.563
  429   2HB   ASP  53          3HB       ASP  53   4.237  -5.443  -7.416
  430    H    ALA  54           H        ALA  54   3.205  -3.830  -3.574
  431    HA   ALA  54           HA       ALA  54   6.118  -3.154  -3.737
  432   1HB   ALA  54          1HB       ALA  54   4.505  -2.503  -1.312
  433   2HB   ALA  54          2HB       ALA  54   5.874  -1.636  -2.045
  434   3HB   ALA  54          3HB       ALA  54   4.237  -1.503  -2.743
  435    H    THR  55           H        THR  55   4.139  -5.762  -3.042
  436    HA   THR  55           HA       THR  55   5.118  -6.602  -0.512
  437    HB   THR  55           HB       THR  55   3.838  -7.870  -2.951
  438    HG1  THR  55          1HG       THR  55   3.136  -7.671  -0.208
  439   1HG2  THR  55          1HG       THR  55   5.260  -9.625  -2.282
  440   2HG2  THR  55          2HG       THR  55   4.890  -9.370  -0.565
  441   3HG2  THR  55          3HG       THR  55   3.629  -9.974  -1.693
  442    H    GLU  56           H        GLU  56   6.550  -6.727  -3.776
  443    HA   GLU  56           HA       GLU  56   8.614  -8.560  -3.051
  444   1HB   GLU  56          2HB       GLU  56   8.286  -6.420  -5.160
  445   2HB   GLU  56          3HB       GLU  56   9.896  -7.102  -4.863
  446   1HG   GLU  56          2HG       GLU  56   8.853  -9.419  -5.070
  447   2HG   GLU  56          3HG       GLU  56   7.393  -8.627  -5.678
  448    H    ASN  57           H        ASN  57   8.306  -5.031  -2.461
  449    HA   ASN  57           HA       ASN  57  11.082  -4.786  -1.570
  450   1HB   ASN  57          2HB       ASN  57   8.621  -2.992  -1.556
  451   2HB   ASN  57          3HB       ASN  57  10.014  -2.615  -0.545
  452   1HD2  ASN  57          1HD       ASN  57  12.175  -2.428  -1.600
  453   2HD2  ASN  57          2HD       ASN  57  12.173  -1.833  -3.254
  454    H    PHE  58           H        PHE  58   8.062  -4.228   0.030
  455    HA   PHE  58           HA       PHE  58   8.674  -4.567   2.724
  456   1HB   PHE  58          2HB       PHE  58   6.369  -4.422   1.731
  457   2HB   PHE  58          3HB       PHE  58   6.347  -6.187   1.701
  458    HD1  PHE  58          1HD       PHE  58   6.316  -7.445   3.942
  459    HD2  PHE  58          2HD       PHE  58   6.138  -3.148   3.722
  460    HE1  PHE  58          1HE       PHE  58   5.470  -7.353   6.267
  461    HE2  PHE  58          2HE       PHE  58   5.303  -3.060   6.055
  462    HZ   PHE  58           HZ       PHE  58   4.956  -5.162   7.331
  463    H    GLU  59           H        GLU  59   8.584  -7.486   0.522
  464    HA   GLU  59           HA       GLU  59   9.387  -9.250   2.716
  465   1HB   GLU  59          2HB       GLU  59   8.787  -9.519  -0.239
  466   2HB   GLU  59          3HB       GLU  59   9.739 -10.739   0.539
  467   1HG   GLU  59          2HG       GLU  59   7.478 -10.213   2.262
  468   2HG   GLU  59          3HG       GLU  59   6.887 -10.437   0.616
  469    H    ASP  60           H        ASP  60  11.001  -7.605  -0.046
  470    HA   ASP  60           HA       ASP  60  13.432  -8.981  -0.067
  471   1HB   ASP  60          2HB       ASP  60  12.452  -6.508  -1.131
  472   2HB   ASP  60          3HB       ASP  60  13.868  -6.086  -0.221
  473    H    VAL  61           H        VAL  61  12.148  -6.618   2.146
  474    HA   VAL  61           HA       VAL  61  14.476  -6.936   3.964
  475    HB   VAL  61           HB       VAL  61  12.183  -4.929   3.992
  476   1HG1  VAL  61          1HG       VAL  61  13.498  -3.566   5.520
  477   2HG1  VAL  61          2HG       VAL  61  13.331  -5.191   6.199
  478   3HG1  VAL  61          3HG       VAL  61  14.858  -4.711   5.435
  479   1HG2  VAL  61          1HG       VAL  61  14.942  -3.990   3.213
  480   2HG2  VAL  61          2HG       VAL  61  13.921  -4.726   1.974
  481   3HG2  VAL  61          3HG       VAL  61  13.348  -3.305   2.844
  482    H    GLY  62           H        GLY  62  11.040  -7.572   3.921
  483   1HA   GLY  62          2HA       GLY  62  10.433  -9.654   4.943
  484   2HA   GLY  62          3HA       GLY  62  11.701  -9.403   6.161
  485    H    HIS  63           HN       HIS  63  11.373  -6.659   6.611
  486    HA   HIS  63           HA       HIS  63  10.545  -5.371   8.155
  487   1HB   HIS  63          2HB       HIS  63   8.003  -6.208   6.770
  488   2HB   HIS  63          3HB       HIS  63   7.879  -5.247   8.214
  489    HD1  HIS  63           HND      HIS  63   9.331  -4.963   4.697
  490    HD2  HIS  63           HD       HIS  63   8.154  -2.668   8.004
  491    HE1  HIS  63           HE       HIS  63   9.282  -2.554   3.904
  492    H    SER  64           H        SER  64   9.329  -5.251  10.263
  493    HA   SER  64           HA       SER  64   9.183  -7.917  11.566
  494   1HB   SER  64          2HB       SER  64   9.742  -5.094  12.445
  495   2HB   SER  64          3HB       SER  64   9.022  -6.207  13.611
  496    HG   SER  64           HG       SER  64  10.760  -7.581  13.361
  497    H    THR  65           H        THR  65   7.427  -7.977  13.391
  498    HA   THR  65           HA       THR  65   4.944  -7.817  12.146
  499    HB   THR  65           HB       THR  65   5.727  -7.996  15.076
  500    HG1  THR  65          1HG       THR  65   5.474  -9.953  13.036
  501   1HG2  THR  65          1HG       THR  65   3.329  -9.350  13.818
  502   2HG2  THR  65          2HG       THR  65   3.676  -8.997  15.531
  503   3HG2  THR  65          3HG       THR  65   3.204  -7.694  14.445
  504    H    ASP  66           H        ASP  66   6.627  -5.482  14.312
  505    HA   ASP  66           HA       ASP  66   4.448  -3.882  15.025
  506   1HB   ASP  66          2HB       ASP  66   7.326  -3.729  15.066
  507   2HB   ASP  66          3HB       ASP  66   6.779  -2.254  14.289
  508    H    ALA  67           H        ALA  67   6.074  -4.222  11.959
  509    HA   ALA  67           HA       ALA  67   4.750  -1.901  10.724
  510   1HB   ALA  67          1HB       ALA  67   5.885  -3.349   8.693
  511   2HB   ALA  67          2HB       ALA  67   6.732  -2.152   9.675
  512   3HB   ALA  67          3HB       ALA  67   6.927  -3.831  10.069
  513    H    ARG  68           H        ARG  68   4.701  -5.493  10.511
  514    HA   ARG  68           HA       ARG  68   2.764  -5.848   8.573
  515   1HB   ARG  68          2HB       ARG  68   3.903  -7.647   9.525
  516   2HB   ARG  68          3HB       ARG  68   3.134  -7.420  11.104
  517   1HG   ARG  68          2HG       ARG  68   1.342  -7.787   8.701
  518   2HG   ARG  68          3HG       ARG  68   2.221  -9.186   9.320
  519   1HD   ARG  68          2HD       ARG  68   1.334  -8.585  11.653
  520   2HD   ARG  68          3HD       ARG  68   0.263  -7.442  10.887
  521    HE   ARG  68           HE       ARG  68  -1.048  -9.087  10.048
  522   1HH1  ARG  68          2HH       ARG  68   1.932 -10.478  11.288
  523   2HH1  ARG  68          1HH       ARG  68   1.438 -12.129  11.177
  524   1HH2  ARG  68          2HH       ARG  68  -1.773 -11.307   9.859
  525   2HH2  ARG  68          1HH       ARG  68  -0.738 -12.602  10.336
  526    H    GLU  69           H        GLU  69   2.360  -4.886  12.015
  527    HA   GLU  69           HA       GLU  69  -0.461  -5.204  12.246
  528   1HB   GLU  69          2HB       GLU  69   1.768  -4.270  13.921
  529   2HB   GLU  69          3HB       GLU  69   0.410  -3.155  14.034
  530   1HG   GLU  69          2HG       GLU  69  -1.060  -5.293  14.299
  531   2HG   GLU  69          3HG       GLU  69   0.459  -6.121  14.654
  532    H    LEU  70           H        LEU  70   1.582  -2.238  11.653
  533    HA   LEU  70           HA       LEU  70  -0.582  -0.499  11.335
  534   1HB   LEU  70          2HB       LEU  70   2.303  -0.652  10.496
  535   2HB   LEU  70          3HB       LEU  70   1.271   0.455   9.645
  536    HG   LEU  70           HG       LEU  70   2.225   1.825  11.149
  537   1HD1  LEU  70          1HD       LEU  70  -0.328   1.819  11.238
  538   2HD1  LEU  70          2HD       LEU  70  -0.153   0.991  12.814
  539   3HD1  LEU  70          3HD       LEU  70   0.522   2.622  12.567
  540   1HD2  LEU  70          1HD       LEU  70   1.868  -0.364  13.210
  541   2HD2  LEU  70          2HD       LEU  70   3.371   0.148  12.420
  542   3HD2  LEU  70          3HD       LEU  70   2.545   1.256  13.540
  543    H    SER  71           H        SER  71   0.888  -2.783   8.925
  544    HA   SER  71           HA       SER  71  -0.667  -2.206   6.624
  545   1HB   SER  71          2HB       SER  71  -0.462  -5.031   7.306
  546   2HB   SER  71          3HB       SER  71   0.095  -4.117   5.888
  547    HG   SER  71           HG       SER  71   1.899  -4.756   6.830
  548    H    LYS  72           H        LYS  72  -1.772  -3.847   9.592
  549    HA   LYS  72           HA       LYS  72  -4.337  -4.400   8.435
  550   1HB   LYS  72          2HB       LYS  72  -3.136  -5.266  10.658
  551   2HB   LYS  72          3HB       LYS  72  -3.955  -3.876  11.378
  552   1HG   LYS  72          2HG       LYS  72  -5.975  -5.052   9.821
  553   2HG   LYS  72          3HG       LYS  72  -5.025  -6.447  10.317
  554   1HD   LYS  72          2HD       LYS  72  -5.390  -4.783  12.652
  555   2HD   LYS  72          3HD       LYS  72  -6.952  -4.897  11.840
  556   1HE   LYS  72          2HE       LYS  72  -5.181  -7.314  12.353
  557   2HE   LYS  72          3HE       LYS  72  -6.302  -6.716  13.585
  558   1HZ   LYS  72          1HZ       LYS  72  -7.138  -8.508  12.041
  559   2HZ   LYS  72          2HZ       LYS  72  -8.116  -7.202  12.248
  560   3HZ   LYS  72          3HZ       LYS  72  -7.230  -7.351  10.870
  561    H    THR  73           H        THR  73  -3.095  -1.536  10.224
  562    HA   THR  73           HA       THR  73  -5.763  -0.290  10.154
  563    HB   THR  73           HB       THR  73  -3.837  -0.167  11.978
  564    HG1  THR  73          1HG       THR  73  -5.350   0.943  12.794
  565   1HG2  THR  73          1HG       THR  73  -2.302   1.132  10.401
  566   2HG2  THR  73          2HG       THR  73  -3.429   2.490  10.586
  567   3HG2  THR  73          3HG       THR  73  -2.594   1.833  12.005
  568    H    PHE  74           H        PHE  74  -3.394  -0.751   7.860
  569    HA   PHE  74           HA       PHE  74  -3.833   1.864   6.494
  570   1HB   PHE  74          2HB       PHE  74  -1.879  -0.433   6.261
  571   2HB   PHE  74          3HB       PHE  74  -1.966   0.850   5.048
  572    HD1  PHE  74          1HD       PHE  74   0.490   0.480   5.791
  573    HD2  PHE  74          2HD       PHE  74  -2.534   2.460   8.154
  574    HE1  PHE  74          1HE       PHE  74   2.223   1.736   6.964
  575    HE2  PHE  74          2HE       PHE  74  -0.770   3.576   9.468
  576    HZ   PHE  74           HZ       PHE  74   1.601   3.140   8.931
  577    H    ILE  75           H        ILE  75  -4.607  -1.600   6.254
  578    HA   ILE  75           HA       ILE  75  -5.219  -1.610   3.500
  579    HB   ILE  75           HB       ILE  75  -5.340  -3.379   5.708
  580   1HG1  ILE  75          2HG       ILE  75  -6.145  -4.089   2.896
  581   2HG1  ILE  75          3HG       ILE  75  -4.510  -3.531   3.237
  582   1HG2  ILE  75          1HG       ILE  75  -7.448  -4.634   5.278
  583   2HG2  ILE  75          2HG       ILE  75  -7.703  -3.072   6.052
  584   3HG2  ILE  75          3HG       ILE  75  -8.040  -3.272   4.312
  585   1HD1  ILE  75          1HD       ILE  75  -5.842  -5.979   4.434
  586   2HD1  ILE  75          2HD       ILE  75  -4.406  -5.868   3.399
  587   3HD1  ILE  75          3HD       ILE  75  -4.326  -5.276   5.053
  588    H    ILE  76           H        ILE  76  -6.359  -0.089   2.581
  589    HA   ILE  76           HA       ILE  76  -8.751   0.982   3.977
  590    HB   ILE  76           HB       ILE  76  -8.937   2.371   1.878
  591   1HG1  ILE  76          2HG       ILE  76  -6.043   1.791   1.253
  592   2HG1  ILE  76          3HG       ILE  76  -7.209   0.605   0.729
  593   1HG2  ILE  76          1HG       ILE  76  -8.001   3.204   3.985
  594   2HG2  ILE  76          2HG       ILE  76  -6.418   2.537   3.573
  595   3HG2  ILE  76          3HG       ILE  76  -7.110   3.880   2.618
  596   1HD1  ILE  76          1HD       ILE  76  -8.368   2.043  -0.634
  597   2HD1  ILE  76          2HD       ILE  76  -7.677   3.503   0.118
  598   3HD1  ILE  76          3HD       ILE  76  -6.673   2.432  -0.906
  599    H    GLY  77           H        GLY  77  -7.859  -1.472   1.584
  600   1HA   GLY  77          2HA       GLY  77 -10.514  -2.484   1.373
  601   2HA   GLY  77          3HA       GLY  77 -10.120  -1.467  -0.031
  602    H    GLU  78           H        GLU  78 -10.198  -3.478  -1.372
  603    HA   GLU  78           HA       GLU  78  -7.642  -4.848  -1.420
  604   1HB   GLU  78          2HB       GLU  78 -10.267  -6.400  -1.176
  605   2HB   GLU  78          3HB       GLU  78  -8.673  -7.095  -1.560
  606   1HG   GLU  78          2HG       GLU  78  -7.821  -6.100   0.590
  607   2HG   GLU  78          3HG       GLU  78  -9.482  -5.668   1.000
  608    H    LEU  79           H        LEU  79  -7.718  -6.351  -3.553
  609    HA   LEU  79           HA       LEU  79  -8.411  -4.584  -5.690
  610   1HB   LEU  79          2HB       LEU  79  -7.683  -7.557  -5.598
  611   2HB   LEU  79          3HB       LEU  79  -7.937  -6.678  -7.082
  612    HG   LEU  79           HG       LEU  79  -5.805  -6.189  -7.135
  613   1HD1  LEU  79          1HD       LEU  79  -4.825  -4.438  -5.810
  614   2HD1  LEU  79          2HD       LEU  79  -6.477  -4.008  -6.234
  615   3HD1  LEU  79          3HD       LEU  79  -6.089  -4.619  -4.595
  616   1HD2  LEU  79          1HD       LEU  79  -5.760  -7.528  -4.468
  617   2HD2  LEU  79          2HD       LEU  79  -4.788  -7.821  -5.930
  618   3HD2  LEU  79          3HD       LEU  79  -4.389  -6.482  -4.845
  619    H    HIS  80           H        HIS  80  -9.980  -4.734  -7.219
  620    HA   HIS  80           HA       HIS  80 -12.551  -5.197  -6.494
  621   1HB   HIS  80          2HB       HIS  80 -11.149  -4.625  -8.973
  622   2HB   HIS  80          3HB       HIS  80 -12.384  -5.830  -9.304
  623    HD1  HIS  80           HD1      HIS  80 -14.127  -4.243 -10.520
  624    HD2  HIS  80           HD2      HIS  80 -12.774  -2.936  -6.772
  625    HE1  HIS  80           HE1      HIS  80 -15.594  -2.242  -9.865
  626    HA   PRO  81           HA       PRO  81 -13.439  -9.332  -6.377
  627   1HB   PRO  81          2HB       PRO  81 -16.012  -9.584  -7.443
  628   2HB   PRO  81          3HB       PRO  81 -15.619  -8.935  -5.824
  629   1HG   PRO  81          2HG       PRO  81 -16.364  -7.450  -8.313
  630   2HG   PRO  81          3HG       PRO  81 -16.635  -7.004  -6.602
  631   1HD   PRO  81          2HD       PRO  81 -14.625  -6.028  -8.303
  632   2HD   PRO  81          3HD       PRO  81 -14.636  -5.865  -6.520
  633    H    ASP  82           H        ASP  82 -14.384  -8.111  -9.621
  634    HA   ASP  82           HA       ASP  82 -14.120 -10.585 -10.992
  635   1HB   ASP  82          2HB       ASP  82 -15.175  -8.274 -11.667
  636   2HB   ASP  82          3HB       ASP  82 -13.556  -7.869 -12.229
  637    H    ASP  83           H        ASP  83 -11.792  -8.329  -9.741
  638    HA   ASP  83           HA       ASP  83  -9.543  -9.601 -11.185
  639   1HB   ASP  83          2HB       ASP  83 -10.001  -6.844  -9.976
  640   2HB   ASP  83          3HB       ASP  83  -8.381  -7.420 -10.330
  641    H    ARG  84           H        ARG  84 -11.048 -10.620  -8.765
  642    HA   ARG  84           HA       ARG  84  -8.866 -10.433  -6.749
  643   1HB   ARG  84          2HB       ARG  84 -11.322 -10.012  -6.205
  644   2HB   ARG  84          3HB       ARG  84 -11.583 -11.750  -6.391
  645   1HG   ARG  84          2HG       ARG  84 -10.063 -12.217  -4.559
  646   2HG   ARG  84          3HG       ARG  84  -9.464 -10.548  -4.557
  647   1HD   ARG  84          2HD       ARG  84 -11.059  -9.873  -3.164
  648   2HD   ARG  84          3HD       ARG  84 -12.330 -10.440  -4.237
  649    HE   ARG  84           HE       ARG  84 -11.283 -11.716  -1.855
  650   1HH1  ARG  84          2HH       ARG  84 -13.037 -12.257  -4.874
  651   2HH1  ARG  84          1HH       ARG  84 -13.822 -13.707  -4.367
  652   1HH2  ARG  84          2HH       ARG  84 -12.281 -13.693  -1.151
  653   2HH2  ARG  84          1HH       ARG  84 -13.367 -14.549  -2.186
  654    H    SER  85           H        SER  85 -10.659 -12.846  -8.676
  655    HA   SER  85           HA       SER  85  -8.413 -14.724  -8.325
  656   1HB   SER  85          2HB       SER  85  -9.941 -16.515  -7.453
  657   2HB   SER  85          3HB       SER  85  -9.600 -15.201  -6.323
  658    HG   SER  85           HG       SER  85 -11.854 -15.918  -6.566
  659    H    LYS  86           H        LYS  86  -9.439 -13.302 -10.617
  660    HA   LYS  86           HA       LYS  86  -9.913 -15.656 -12.277
  661   1HB   LYS  86          2HB       LYS  86 -12.146 -14.159 -11.370
  662   2HB   LYS  86          3HB       LYS  86 -11.894 -13.610 -13.017
  663   1HG   LYS  86          2HG       LYS  86 -11.568 -16.288 -13.433
  664   2HG   LYS  86          3HG       LYS  86 -12.552 -16.354 -11.959
  665   1HD   LYS  86          2HD       LYS  86 -14.217 -14.857 -13.090
  666   2HD   LYS  86          3HD       LYS  86 -13.234 -14.935 -14.572
  667   1HE   LYS  86          2HE       LYS  86 -13.651 -17.218 -14.911
  668   2HE   LYS  86          3HE       LYS  86 -14.056 -17.503 -13.211
  669   1HZ   LYS  86          1HZ       LYS  86 -15.730 -15.953 -15.080
  670   2HZ   LYS  86          2HZ       LYS  86 -16.011 -17.516 -14.630
  671   3HZ   LYS  86          3HZ       LYS  86 -16.088 -16.307 -13.515
  672    H    LEU  87           H        LEU  87  -7.705 -13.875 -12.034
  673    HA   LEU  87           HA       LEU  87  -7.885 -11.932 -14.235
  674   1HB   LEU  87          2HB       LEU  87  -5.591 -12.717 -12.396
  675   2HB   LEU  87          3HB       LEU  87  -5.588 -11.361 -13.521
  676    HG   LEU  87           HG       LEU  87  -7.940 -11.291 -11.719
  677   1HD1  LEU  87          1HD       LEU  87  -6.613 -10.653  -9.706
  678   2HD1  LEU  87          2HD       LEU  87  -6.436 -12.362 -10.127
  679   3HD1  LEU  87          3HD       LEU  87  -5.141 -11.202 -10.519
  680   1HD2  LEU  87          1HD       LEU  87  -7.163  -8.982 -11.415
  681   2HD2  LEU  87          2HD       LEU  87  -5.648  -9.345 -12.249
  682   3HD2  LEU  87          3HD       LEU  87  -7.195  -9.404 -13.129
  683    H    SER  88           H        SER  88  -8.404 -14.117 -15.612
  684    HA   SER  88           HA       SER  88  -5.955 -14.569 -17.094
  685   1HB   SER  88          2HB       SER  88  -6.148 -16.333 -15.103
  686   2HB   SER  88          3HB       SER  88  -7.361 -17.081 -16.160
  687    HG   SER  88           HG       SER  88  -4.608 -16.734 -16.495
  688    H    LYS  89           H        LYS  89  -6.475 -15.307 -19.226
  689    HA   LYS  89           HA       LYS  89  -9.161 -14.628 -20.033
  690   1HB   LYS  89          2HB       LYS  89  -8.411 -14.919 -22.278
  691   2HB   LYS  89          3HB       LYS  89  -7.168 -14.091 -21.359
  692   1HG   LYS  89          2HG       LYS  89  -5.775 -15.549 -22.395
  693   2HG   LYS  89          3HG       LYS  89  -6.248 -16.645 -21.098
  694   1HD   LYS  89          2HD       LYS  89  -8.186 -17.383 -22.670
  695   2HD   LYS  89          3HD       LYS  89  -7.370 -16.478 -23.940
  696   1HE   LYS  89          2HE       LYS  89  -6.016 -18.635 -22.264
  697   2HE   LYS  89          3HE       LYS  89  -6.889 -18.997 -23.760
  698   1HZ   LYS  89          1HZ       LYS  89  -4.574 -17.179 -23.559
  699   2HZ   LYS  89          2HZ       LYS  89  -4.542 -18.710 -24.164
  700   3HZ   LYS  89          3HZ       LYS  89  -5.396 -17.539 -24.940
  701    HA   PRO  90           HA       PRO  90 -10.480 -18.880 -19.335
  702   1HB   PRO  90          2HB       PRO  90 -13.209 -18.471 -19.632
  703   2HB   PRO  90          3HB       PRO  90 -12.282 -18.112 -18.152
  704   1HG   PRO  90          2HG       PRO  90 -13.346 -16.219 -20.205
  705   2HG   PRO  90          3HG       PRO  90 -13.031 -15.961 -18.462
  706   1HD   PRO  90          2HD       PRO  90 -11.368 -15.199 -20.656
  707   2HD   PRO  90          3HD       PRO  90 -10.968 -15.128 -18.919
  708    H    MET  91           H        MET  91 -12.418 -20.191 -20.689
  709    HA   MET  91           HA       MET  91 -11.507 -20.001 -23.507
  710   1HB   MET  91          2HB       MET  91 -11.069 -22.053 -21.899
  711   2HB   MET  91          3HB       MET  91 -12.734 -22.485 -22.268
  712   1HG   MET  91          2HG       MET  91 -10.850 -21.775 -24.525
  713   2HG   MET  91          3HG       MET  91 -10.627 -23.297 -23.691
  714   1HE   MET  91          1HE       MET  91 -13.484 -21.637 -26.427
  715   2HE   MET  91          2HE       MET  91 -11.707 -21.712 -26.501
  716   3HE   MET  91          3HE       MET  91 -12.682 -22.933 -27.338
  717    H    GLU  92           H        GLU  92 -13.051 -18.704 -24.514
  718    HA   GLU  92           HA       GLU  92 -15.836 -19.636 -24.280
  719   1HB   GLU  92          2HB       GLU  92 -15.036 -17.276 -23.049
  720   2HB   GLU  92          3HB       GLU  92 -15.462 -16.708 -24.654
  721   1HG   GLU  92          2HG       GLU  92 -17.591 -18.425 -24.052
  722   2HG   GLU  92          3HG       GLU  92 -17.152 -17.816 -22.457
  723    H    THR  93           H        THR  93 -17.131 -18.745 -26.233
  724    HA   THR  93           HA       THR  93 -15.614 -17.978 -28.555
  725    HB   THR  93           HB       THR  93 -16.801 -20.785 -28.297
  726    HG1  THR  93          1HG       THR  93 -14.270 -19.711 -28.376
  727   1HG2  THR  93          1HG       THR  93 -15.889 -21.006 -30.712
  728   2HG2  THR  93          2HG       THR  93 -17.464 -20.246 -30.476
  729   3HG2  THR  93          3HG       THR  93 -16.028 -19.237 -30.787
  730    H    LEU  94           H        LEU  94 -17.060 -17.355 -30.233
  731    HA   LEU  94           HA       LEU  94 -19.550 -16.214 -29.388
  732   1HB   LEU  94          2HB       LEU  94 -18.005 -15.302 -31.130
  733   2HB   LEU  94          3HB       LEU  94 -18.368 -16.684 -32.166
  734    HG   LEU  94           HG       LEU  94 -20.765 -15.184 -31.194
  735   1HD1  LEU  94          1HD       LEU  94 -19.056 -13.362 -31.571
  736   2HD1  LEU  94          2HD       LEU  94 -18.982 -13.877 -33.275
  737   3HD1  LEU  94          3HD       LEU  94 -20.503 -13.271 -32.578
  738   1HD2  LEU  94          1HD       LEU  94 -19.779 -16.193 -33.914
  739   2HD2  LEU  94          2HD       LEU  94 -21.050 -16.907 -32.900
  740   3HD2  LEU  94          3HD       LEU  94 -21.317 -15.338 -33.673
  741    HHA  HEM  95          MHG       HEM  95  11.821   0.164   8.813
  742    HHB  HEM  95          MHD       HEM  95   5.430   0.063   9.380
  743    HHC  HEM  95          MHA       HEM  95   4.904  -0.683   3.028
  744    HHD  HEM  95          MHB       HEM  95  11.250   0.163   2.389
  745   1HMA  HEM  95          1HM       HEM  95   7.871   0.127  12.351
  746   2HMA  HEM  95          2HM       HEM  95   6.515   0.831  11.471
  747   3HMA  HEM  95          3HM       HEM  95   6.712  -0.927  11.564
  748   1HAA  HEM  95          1HP       HEM  95   9.960  -0.140  12.135
  749   2HAA  HEM  95          2HP       HEM  95  11.156   0.593  11.084
  750   1HBA  HEM  95          3HP       HEM  95  11.812  -1.658  11.970
  751   2HBA  HEM  95          4HP       HEM  95  11.816  -1.577  10.215
  752   1HMB  HEM  95          1HM       HEM  95   3.456  -1.143   8.712
  753   2HMB  HEM  95          2HM       HEM  95   3.151   0.568   8.509
  754   3HMB  HEM  95          3HM       HEM  95   2.181  -0.646   7.588
  755    HAB  HEM  95          AHT       HEM  95   2.808  -0.598   3.812
  756   1HBB  HEM  95          CHV       HEM  95   2.393  -2.622   5.907
  757   2HBB  HEM  95          THV       HEM  95   1.119  -2.022   4.690
  758   1HMC  HEM  95          1HM       HEM  95   5.519  -1.571   1.139
  759   2HMC  HEM  95          2HM       HEM  95   5.874  -0.107   0.203
  760   3HMC  HEM  95          3HM       HEM  95   6.829  -1.613  -0.007
  761    HAC  HEM  95          AHT       HEM  95  10.471  -0.201   0.363
  762   1HBC  HEM  95          THV       HEM  95   9.495   0.335  -1.699
  763   2HBC  HEM  95          CHV       HEM  95   7.782   0.155  -1.035
  764   1HMD  HEM  95          1HM       HEM  95  14.538   0.473   4.248
  765   2HMD  HEM  95          2HM       HEM  95  13.441   0.015   2.941
  766   3HMD  HEM  95          3HM       HEM  95  13.479   1.697   3.515
  767   1HAD  HEM  95          1HP       HEM  95  13.620   1.091   7.943
  768   2HAD  HEM  95          2HP       HEM  95  14.356   1.510   6.413
  769   1HBD  HEM  95          3HP       HEM  95  15.813  -0.095   7.311
  770   2HBD  HEM  95          4HP       HEM  95  14.874  -1.007   6.124
  Start of MODEL    5
    1   1H    ASP   1           H1       ASP   1  -8.386  -0.445  10.020
    2   2H    ASP   1           H2       ASP   1  -7.559   0.395   8.935
    3   3H    ASP   1           H3       ASP   1  -7.902   1.149  10.367
    4    HA   ASP   1           HA       ASP   1 -10.147   1.485   9.645
    5   1HB   ASP   1          2HB       ASP   1  -7.771   2.172   8.280
    6   2HB   ASP   1          3HB       ASP   1  -8.791   1.621   6.977
    7    H    LYS   2           H        LYS   2 -11.836  -0.333   9.402
    8    HA   LYS   2           HA       LYS   2 -10.621  -2.756   8.109
    9   1HB   LYS   2          2HB       LYS   2 -12.202  -4.069   9.510
   10   2HB   LYS   2          3HB       LYS   2 -10.767  -3.461  10.314
   11   1HG   LYS   2          2HG       LYS   2 -11.940  -1.926  11.616
   12   2HG   LYS   2          3HG       LYS   2 -13.263  -1.786  10.468
   13   1HD   LYS   2          2HD       LYS   2 -13.372  -4.494  11.246
   14   2HD   LYS   2          3HD       LYS   2 -12.968  -3.643  12.732
   15   1HE   LYS   2          2HE       LYS   2 -15.073  -2.341  11.043
   16   2HE   LYS   2          3HE       LYS   2 -15.494  -3.954  11.609
   17   1HZ   LYS   2          1HZ       LYS   2 -14.915  -3.183  13.869
   18   2HZ   LYS   2          2HZ       LYS   2 -14.759  -1.647  13.284
   19   3HZ   LYS   2          3HZ       LYS   2 -16.212  -2.415  13.214
   20    H    ASP   3           H        ASP   3 -11.457  -3.026   6.163
   21    HA   ASP   3           HA       ASP   3 -14.191  -3.381   5.674
   22   1HB   ASP   3          2HB       ASP   3 -13.256  -0.558   5.636
   23   2HB   ASP   3          3HB       ASP   3 -13.879  -1.062   4.076
   24    H    VAL   4           H        VAL   4 -14.496  -3.126   3.147
   25    HA   VAL   4           HA       VAL   4 -11.978  -3.763   1.741
   26    HB   VAL   4           HB       VAL   4 -14.439  -5.501   1.385
   27   1HG1  VAL   4          1HG       VAL   4 -12.728  -6.988   0.385
   28   2HG1  VAL   4          2HG       VAL   4 -12.785  -5.411  -0.432
   29   3HG1  VAL   4          3HG       VAL   4 -11.504  -5.758   0.761
   30   1HG2  VAL   4          1HG       VAL   4 -13.682  -5.833   3.737
   31   2HG2  VAL   4          2HG       VAL   4 -13.206  -7.213   2.747
   32   3HG2  VAL   4          3HG       VAL   4 -12.000  -5.984   3.178
   33    H    LYS   5           H        LYS   5 -12.194  -1.634   0.821
   34    HA   LYS   5           HA       LYS   5 -14.629  -1.114  -0.770
   35   1HB   LYS   5          2HB       LYS   5 -12.169   0.462   0.026
   36   2HB   LYS   5          3HB       LYS   5 -13.030   0.910  -1.453
   37   1HG   LYS   5          2HG       LYS   5 -15.188   0.876  -0.040
   38   2HG   LYS   5          3HG       LYS   5 -14.105   0.902   1.365
   39   1HD   LYS   5          2HD       LYS   5 -14.297   3.194   1.046
   40   2HD   LYS   5          3HD       LYS   5 -12.989   2.891  -0.102
   41   1HE   LYS   5          2HE       LYS   5 -14.983   2.378  -1.783
   42   2HE   LYS   5          3HE       LYS   5 -15.965   3.278  -0.618
   43   1HZ   LYS   5          1HZ       LYS   5 -13.512   4.412  -1.743
   44   2HZ   LYS   5          2HZ       LYS   5 -14.914   4.520  -2.556
   45   3HZ   LYS   5          3HZ       LYS   5 -14.762   5.215  -1.065
   46    H    TYR   6           H        TYR   6 -14.149  -3.223  -1.880
   47    HA   TYR   6           HA       TYR   6 -12.406  -4.053  -3.601
   48   1HB   TYR   6          2HB       TYR   6 -15.321  -3.521  -4.275
   49   2HB   TYR   6          3HB       TYR   6 -14.267  -4.627  -5.130
   50    HD1  TYR   6           HD1      TYR   6 -13.168  -6.569  -3.806
   51    HD2  TYR   6           HD2      TYR   6 -16.564  -4.296  -2.420
   52    HE1  TYR   6           HE1      TYR   6 -13.761  -8.404  -2.246
   53    HE2  TYR   6           HE2      TYR   6 -17.156  -6.112  -0.858
   54    HH   TYR   6           HH       TYR   6 -16.244  -8.058   0.225
   55    H    TYR   7           H        TYR   7 -10.933  -2.508  -4.460
   56    HA   TYR   7           HA       TYR   7 -11.966  -0.440  -6.265
   57   1HB   TYR   7          2HB       TYR   7  -9.385  -0.919  -4.696
   58   2HB   TYR   7          3HB       TYR   7  -9.446   0.159  -6.017
   59    HD1  TYR   7           HD1      TYR   7  -9.377   0.156  -2.666
   60    HD2  TYR   7           HD2      TYR   7 -11.924   1.664  -5.791
   61    HE1  TYR   7           HE1      TYR   7 -10.158   1.947  -1.163
   62    HE2  TYR   7           HE2      TYR   7 -12.632   3.521  -4.341
   63    HH   TYR   7           HH       TYR   7 -10.888   4.234  -1.398
   64    H    THR   8           H        THR   8 -10.693  -0.046  -8.268
   65    HA   THR   8           HA       THR   8 -10.066  -2.668  -9.536
   66    HB   THR   8           HB       THR   8 -10.462  -1.050 -11.610
   67    HG1  THR   8          1HG       THR   8 -12.194   0.175  -9.760
   68   1HG2  THR   8          1HG       THR   8 -12.711  -1.950  -9.773
   69   2HG2  THR   8          2HG       THR   8 -12.874  -1.600 -11.511
   70   3HG2  THR   8          3HG       THR   8 -11.877  -2.973 -10.972
   71    H    LEU   9           H        LEU   9  -8.114  -2.868 -10.634
   72    HA   LEU   9           HA       LEU   9  -5.855  -1.725  -9.771
   73   1HB   LEU   9          2HB       LEU   9  -6.187  -2.357 -12.720
   74   2HB   LEU   9          3HB       LEU   9  -4.689  -2.247 -11.810
   75    HG   LEU   9           HG       LEU   9  -4.986  -4.529 -11.913
   76   1HD1  LEU   9          1HD       LEU   9  -6.486  -3.808  -9.381
   77   2HD1  LEU   9          2HD       LEU   9  -5.655  -5.328  -9.682
   78   3HD1  LEU   9          3HD       LEU   9  -4.711  -3.827  -9.536
   79   1HD2  LEU   9          1HD       LEU   9  -7.617  -5.071 -11.041
   80   2HD2  LEU   9          2HD       LEU   9  -7.776  -3.852 -12.302
   81   3HD2  LEU   9          3HD       LEU   9  -6.934  -5.375 -12.633
   82    H    GLU  10           H        GLU  10  -7.641  -0.396 -12.546
   83    HA   GLU  10           HA       GLU  10  -6.005   1.812 -13.076
   84   1HB   GLU  10          2HB       GLU  10  -8.523   0.837 -13.956
   85   2HB   GLU  10          3HB       GLU  10  -8.842   2.468 -13.355
   86   1HG   GLU  10          2HG       GLU  10  -6.762   3.195 -14.716
   87   2HG   GLU  10          3HG       GLU  10  -6.857   1.605 -15.486
   88    H    GLU  11           H        GLU  11  -8.784   1.606 -10.777
   89    HA   GLU  11           HA       GLU  11  -8.731   4.284  -9.883
   90   1HB   GLU  11          2HB       GLU  11 -10.569   2.708  -9.373
   91   2HB   GLU  11          3HB       GLU  11  -9.490   1.731  -8.384
   92   1HG   GLU  11          2HG       GLU  11 -10.784   3.116  -6.941
   93   2HG   GLU  11          3HG       GLU  11  -9.101   3.599  -6.847
   94    H    ILE  12           H        ILE  12  -6.984   1.353  -8.624
   95    HA   ILE  12           HA       ILE  12  -5.709   2.815  -6.550
   96    HB   ILE  12           HB       ILE  12  -4.889   0.290  -8.015
   97   1HG1  ILE  12          2HG       ILE  12  -5.911   0.064  -5.266
   98   2HG1  ILE  12          3HG       ILE  12  -7.045   0.903  -6.273
   99   1HG2  ILE  12          1HG       ILE  12  -3.826   0.110  -5.428
  100   2HG2  ILE  12          2HG       ILE  12  -2.973   0.391  -6.937
  101   3HG2  ILE  12          3HG       ILE  12  -3.505   1.775  -5.910
  102   1HD1  ILE  12          1HD       ILE  12  -5.766  -1.786  -6.781
  103   2HD1  ILE  12          2HD       ILE  12  -7.518  -1.450  -6.495
  104   3HD1  ILE  12          3HD       ILE  12  -6.719  -0.960  -7.989
  105    H    LYS  13           H        LYS  13  -4.981   2.404  -9.954
  106    HA   LYS  13           HA       LYS  13  -2.366   3.757  -9.752
  107   1HB   LYS  13          2HB       LYS  13  -3.926   2.564 -12.062
  108   2HB   LYS  13          3HB       LYS  13  -2.317   3.295 -12.220
  109   1HG   LYS  13          2HG       LYS  13  -1.254   1.641 -10.945
  110   2HG   LYS  13          3HG       LYS  13  -2.732   1.111 -10.156
  111   1HD   LYS  13          2HD       LYS  13  -2.924  -0.533 -11.614
  112   2HD   LYS  13          3HD       LYS  13  -3.255   0.651 -12.873
  113   1HE   LYS  13          2HE       LYS  13  -0.421   0.652 -12.523
  114   2HE   LYS  13          3HE       LYS  13  -0.913  -1.040 -12.412
  115   1HZ   LYS  13          1HZ       LYS  13  -2.300  -0.191 -14.535
  116   2HZ   LYS  13          2HZ       LYS  13  -0.944   0.728 -14.675
  117   3HZ   LYS  13          3HZ       LYS  13  -0.826  -0.915 -14.629
  118    H    LYS  14           H        LYS  14  -5.136   5.024  -9.165
  119    HA   LYS  14           HA       LYS  14  -4.894   7.314 -11.030
  120   1HB   LYS  14          2HB       LYS  14  -7.100   5.945 -10.644
  121   2HB   LYS  14          3HB       LYS  14  -7.113   6.740  -9.062
  122   1HG   LYS  14          2HG       LYS  14  -6.711   8.901 -10.656
  123   2HG   LYS  14          3HG       LYS  14  -7.519   7.872 -11.821
  124   1HD   LYS  14          2HD       LYS  14  -9.544   8.077 -10.790
  125   2HD   LYS  14          3HD       LYS  14  -8.881   7.912  -9.165
  126   1HE   LYS  14          2HE       LYS  14  -8.818  10.117  -8.815
  127   2HE   LYS  14          3HE       LYS  14  -7.900  10.388 -10.296
  128   1HZ   LYS  14          1HZ       LYS  14 -10.808  10.350  -9.974
  129   2HZ   LYS  14          2HZ       LYS  14  -9.852  11.537 -10.613
  130   3HZ   LYS  14          3HZ       LYS  14 -10.111  10.146 -11.452
  131    H    HIS  15           H        HIS  15  -4.003   6.250  -7.853
  132    HA   HIS  15           HA       HIS  15  -4.140   8.974  -6.723
  133   1HB   HIS  15          2HB       HIS  15  -3.306   6.290  -5.589
  134   2HB   HIS  15          3HB       HIS  15  -3.216   7.824  -4.716
  135    HD1  HIS  15           HD1      HIS  15  -5.713   9.130  -4.373
  136    HD2  HIS  15           HD2      HIS  15  -5.652   5.118  -5.675
  137    HE1  HIS  15           HE1      HIS  15  -8.025   8.187  -3.937
  138    H    ASN  16           H        ASN  16  -1.435   7.377  -5.554
  139    HA   ASN  16           HA       ASN  16   0.756   7.909  -5.676
  140   1HB   ASN  16          2HB       ASN  16   1.841   7.489  -7.888
  141   2HB   ASN  16          3HB       ASN  16   0.793   6.195  -7.338
  142   1HD2  ASN  16          1HD       ASN  16  -1.272   5.827  -8.366
  143   2HD2  ASN  16          2HD       ASN  16  -1.574   6.549  -9.952
  144    H    HIS  17           H        HIS  17  -0.625  10.221  -5.289
  145    HA   HIS  17           HA       HIS  17   0.593  12.124  -7.262
  146   1HB   HIS  17          2HB       HIS  17  -1.962  12.212  -5.661
  147   2HB   HIS  17          3HB       HIS  17  -1.190  13.684  -6.260
  148    HD1  HIS  17           HD1      HIS  17  -0.771  13.708  -9.056
  149    HD2  HIS  17           HD2      HIS  17  -3.524  10.975  -7.426
  150    HE1  HIS  17           HE1      HIS  17  -2.266  12.925 -10.975
  151    H    SER  18           H        SER  18  -0.478  12.179  -3.861
  152    HA   SER  18           HA       SER  18   2.008  12.548  -2.623
  153   1HB   SER  18          2HB       SER  18   2.533  14.583  -3.633
  154   2HB   SER  18          3HB       SER  18   0.836  15.052  -3.821
  155    HG   SER  18           HG       SER  18   2.331  15.072  -1.407
  156    H    LYS  19           H        LYS  19  -1.352  13.722  -2.756
  157    HA   LYS  19           HA       LYS  19  -1.560  13.506   0.195
  158   1HB   LYS  19          2HB       LYS  19  -3.686  14.635  -0.050
  159   2HB   LYS  19          3HB       LYS  19  -2.433  15.517  -0.912
  160   1HG   LYS  19          2HG       LYS  19  -3.646  15.414  -2.821
  161   2HG   LYS  19          3HG       LYS  19  -3.539  13.656  -2.793
  162   1HD   LYS  19          2HD       LYS  19  -5.497  13.770  -1.064
  163   2HD   LYS  19          3HD       LYS  19  -5.741  15.416  -1.672
  164   1HE   LYS  19          2HE       LYS  19  -5.364  13.205  -3.679
  165   2HE   LYS  19          3HE       LYS  19  -6.861  13.157  -2.748
  166   1HZ   LYS  19          1HZ       LYS  19  -6.685  14.503  -4.958
  167   2HZ   LYS  19          2HZ       LYS  19  -7.616  15.033  -3.713
  168   3HZ   LYS  19          3HZ       LYS  19  -6.129  15.695  -3.967
  169    H    SER  20           H        SER  20  -1.553  11.239  -2.075
  170    HA   SER  20           HA       SER  20  -3.297   9.421  -0.668
  171   1HB   SER  20          2HB       SER  20  -4.142  10.694  -3.213
  172   2HB   SER  20          3HB       SER  20  -4.106   8.926  -3.223
  173    HG   SER  20           HG       SER  20  -5.496   8.896  -1.478
  174    H    THR  21           H        THR  21  -1.751   7.902  -0.447
  175    HA   THR  21           HA       THR  21  -0.188   6.985  -2.804
  176    HB   THR  21           HB       THR  21   0.640   7.312   0.102
  177    HG1  THR  21          1HG       THR  21   1.559   8.449  -2.330
  178   1HG2  THR  21          1HG       THR  21   2.439   6.016  -0.242
  179   2HG2  THR  21          2HG       THR  21   1.545   5.260  -1.530
  180   3HG2  THR  21          3HG       THR  21   2.693   6.555  -1.916
  181    H    TRP  22           H        TRP  22  -1.514   5.339  -3.344
  182    HA   TRP  22           HA       TRP  22  -2.227   3.365  -1.245
  183   1HB   TRP  22          2HB       TRP  22  -3.178   3.912  -4.078
  184   2HB   TRP  22          3HB       TRP  22  -3.556   2.409  -3.235
  185    HD1  TRP  22           HD1      TRP  22  -3.608   4.986  -0.640
  186    HE1  TRP  22           HE1      TRP  22  -5.860   5.797  -0.122
  187    HE3  TRP  22           HE3      TRP  22  -5.992   2.746  -4.508
  188    HZ2  TRP  22           HZ2      TRP  22  -8.578   5.553  -1.308
  189    HZ3  TRP  22           HZ3      TRP  22  -8.448   3.035  -4.808
  190    HH2  TRP  22           HH2      TRP  22  -9.701   4.477  -3.311
  191    H    LEU  23           H        LEU  23  -1.988   1.064  -2.066
  192    HA   LEU  23           HA       LEU  23  -0.169   0.411  -4.129
  193   1HB   LEU  23          2HB       LEU  23   1.716  -0.413  -2.630
  194   2HB   LEU  23          3HB       LEU  23   1.613   1.303  -2.933
  195    HG   LEU  23           HG       LEU  23   0.326   1.446  -0.629
  196   1HD1  LEU  23          1HD       LEU  23   0.769  -0.277   0.925
  197   2HD1  LEU  23          2HD       LEU  23   0.122  -1.120  -0.503
  198   3HD1  LEU  23          3HD       LEU  23   1.857  -1.080  -0.231
  199   1HD2  LEU  23          1HD       LEU  23   2.312   2.392  -0.188
  200   2HD2  LEU  23          2HD       LEU  23   2.963   0.780   0.227
  201   3HD2  LEU  23          3HD       LEU  23   3.144   1.420  -1.391
  202    H    ILE  24           H        ILE  24   0.438  -1.953  -3.908
  203    HA   ILE  24           HA       ILE  24  -1.878  -3.365  -2.751
  204    HB   ILE  24           HB       ILE  24  -0.213  -4.089  -5.203
  205   1HG1  ILE  24          2HG       ILE  24  -3.139  -3.349  -5.166
  206   2HG1  ILE  24          3HG       ILE  24  -1.940  -2.074  -5.265
  207   1HG2  ILE  24          1HG       ILE  24  -1.857  -5.889  -5.516
  208   2HG2  ILE  24          2HG       ILE  24  -1.115  -6.058  -3.926
  209   3HG2  ILE  24          3HG       ILE  24  -2.741  -5.363  -4.063
  210   1HD1  ILE  24          1HD       ILE  24  -2.259  -4.332  -7.264
  211   2HD1  ILE  24          2HD       ILE  24  -2.625  -2.608  -7.498
  212   3HD1  ILE  24          3HD       ILE  24  -0.944  -3.128  -7.274
  213    H    LEU  25           H        LEU  25  -1.041  -4.177  -0.856
  214    HA   LEU  25           HA       LEU  25   1.591  -5.541  -0.934
  215   1HB   LEU  25          2HB       LEU  25   0.224  -3.911   1.177
  216   2HB   LEU  25          3HB       LEU  25   1.331  -5.195   1.672
  217    HG   LEU  25           HG       LEU  25   2.076  -3.087  -0.364
  218   1HD1  LEU  25          1HD       LEU  25   3.080  -1.845   1.450
  219   2HD1  LEU  25          2HD       LEU  25   1.433  -2.225   1.983
  220   3HD1  LEU  25          3HD       LEU  25   2.803  -3.193   2.584
  221   1HD2  LEU  25          1HD       LEU  25   4.341  -3.912   0.949
  222   2HD2  LEU  25          2HD       LEU  25   3.399  -5.417   0.819
  223   3HD2  LEU  25          3HD       LEU  25   3.757  -4.425  -0.619
  224    H    HIS  26           H        HIS  26   0.510  -7.361  -1.749
  225    HA   HIS  26           HA       HIS  26  -0.092  -9.540  -1.394
  226   1HB   HIS  26          2HB       HIS  26  -1.140  -8.917   1.397
  227   2HB   HIS  26          3HB       HIS  26  -0.620 -10.443   0.739
  228    HD1  HIS  26           HD1      HIS  26   2.210 -10.342   0.024
  229    HD2  HIS  26           HD2      HIS  26   0.631  -7.635   2.837
  230    HE1  HIS  26           HE1      HIS  26   4.194  -9.402   1.348
  231    H    HIS  27           H        HIS  27  -1.652  -8.841  -3.087
  232    HA   HIS  27           HA       HIS  27  -3.686  -8.345  -3.961
  233   1HB   HIS  27          2HB       HIS  27  -4.656 -10.633  -2.220
  234   2HB   HIS  27          3HB       HIS  27  -5.172 -10.202  -3.848
  235    HD1  HIS  27           HD1      HIS  27  -2.187 -11.738  -1.979
  236    HD2  HIS  27           HD2      HIS  27  -3.802 -11.370  -5.847
  237    HE1  HIS  27           HE1      HIS  27  -0.769 -13.232  -3.512
  238    H    LYS  28           H        LYS  28  -3.373  -6.463  -2.064
  239    HA   LYS  28           HA       LYS  28  -6.067  -6.019  -1.014
  240   1HB   LYS  28          2HB       LYS  28  -3.654  -6.656   0.612
  241   2HB   LYS  28          3HB       LYS  28  -4.646  -5.289   1.157
  242   1HG   LYS  28          2HG       LYS  28  -6.235  -6.621   1.976
  243   2HG   LYS  28          3HG       LYS  28  -6.346  -7.526   0.490
  244   1HD   LYS  28          2HD       LYS  28  -5.042  -9.247   1.214
  245   2HD   LYS  28          3HD       LYS  28  -3.940  -8.186   2.111
  246   1HE   LYS  28          2HE       LYS  28  -4.993  -9.261   3.857
  247   2HE   LYS  28          3HE       LYS  28  -5.941  -7.781   3.703
  248   1HZ   LYS  28          1HZ       LYS  28  -6.699 -10.500   3.042
  249   2HZ   LYS  28          2HZ       LYS  28  -7.602  -9.287   3.697
  250   3HZ   LYS  28          3HZ       LYS  28  -7.332  -9.297   2.087
  251    H    VAL  29           H        VAL  29  -6.266  -3.711  -0.283
  252    HA   VAL  29           HA       VAL  29  -4.369  -2.001  -1.780
  253    HB   VAL  29           HB       VAL  29  -7.309  -2.188  -1.505
  254   1HG1  VAL  29          1HG       VAL  29  -7.181   0.368  -2.486
  255   2HG1  VAL  29          2HG       VAL  29  -7.530  -0.119  -0.833
  256   3HG1  VAL  29          3HG       VAL  29  -5.880   0.392  -1.309
  257   1HG2  VAL  29          1HG       VAL  29  -6.903  -2.906  -3.542
  258   2HG2  VAL  29          2HG       VAL  29  -7.068  -1.200  -3.905
  259   3HG2  VAL  29          3HG       VAL  29  -5.440  -1.909  -3.753
  260    H    TYR  30           H        TYR  30  -3.087  -0.963  -0.393
  261    HA   TYR  30           HA       TYR  30  -4.041  -0.266   2.307
  262   1HB   TYR  30          2HB       TYR  30  -1.404  -0.846   0.962
  263   2HB   TYR  30          3HB       TYR  30  -1.508  -0.127   2.541
  264    HD1  TYR  30           HD1      TYR  30  -2.289  -3.178   0.572
  265    HD2  TYR  30           HD2      TYR  30  -1.964  -1.449   4.471
  266    HE1  TYR  30           HE1      TYR  30  -2.368  -5.402   1.594
  267    HE2  TYR  30           HE2      TYR  30  -2.056  -3.733   5.501
  268    HH   TYR  30           HH       TYR  30  -1.978  -6.663   3.488
  269    H    ASP  31           H        ASP  31  -3.145   1.787   3.102
  270    HA   ASP  31           HA       ASP  31  -2.506   3.786   1.020
  271   1HB   ASP  31          2HB       ASP  31  -4.882   3.983   1.560
  272   2HB   ASP  31          3HB       ASP  31  -4.501   4.071   3.290
  273    H    LEU  32           H        LEU  32  -0.517   4.354   1.557
  274    HA   LEU  32           HA       LEU  32   0.120   4.584   4.462
  275   1HB   LEU  32          2HB       LEU  32   2.251   4.580   2.389
  276   2HB   LEU  32          3HB       LEU  32   2.248   3.961   4.040
  277    HG   LEU  32           HG       LEU  32   1.109   2.628   1.598
  278   1HD1  LEU  32          1HD       LEU  32   3.485   2.390   1.806
  279   2HD1  LEU  32          2HD       LEU  32   3.386   2.055   3.540
  280   3HD1  LEU  32          3HD       LEU  32   2.781   0.861   2.385
  281   1HD2  LEU  32          1HD       LEU  32   0.349   2.273   4.396
  282   2HD2  LEU  32          2HD       LEU  32  -0.386   1.661   2.916
  283   3HD2  LEU  32          3HD       LEU  32   0.953   0.769   3.640
  284    H    THR  33           H        THR  33  -1.329   6.473   2.575
  285    HA   THR  33           HA       THR  33   0.429   8.675   1.942
  286    HB   THR  33           HB       THR  33  -2.306   8.072   1.575
  287    HG1  THR  33          1HG       THR  33  -0.583  10.237   0.936
  288   1HG2  THR  33          1HG       THR  33  -3.361  10.216   2.010
  289   2HG2  THR  33          2HG       THR  33  -2.920   9.410   3.522
  290   3HG2  THR  33          3HG       THR  33  -1.902  10.747   2.887
  291    H    LYS  34           H        LYS  34  -1.457   7.854   4.836
  292    HA   LYS  34           HA       LYS  34  -0.415  10.332   6.070
  293   1HB   LYS  34          2HB       LYS  34  -2.805   8.970   6.313
  294   2HB   LYS  34          3HB       LYS  34  -1.943   8.366   7.721
  295   1HG   LYS  34          2HG       LYS  34  -1.631  11.297   7.426
  296   2HG   LYS  34          3HG       LYS  34  -3.318  10.819   7.345
  297   1HD   LYS  34          2HD       LYS  34  -2.728   9.374   9.498
  298   2HD   LYS  34          3HD       LYS  34  -1.354  10.482   9.640
  299   1HE   LYS  34          2HE       LYS  34  -4.237  11.388   9.236
  300   2HE   LYS  34          3HE       LYS  34  -3.584  11.079  10.849
  301   1HZ   LYS  34          1HZ       LYS  34  -3.455  13.431   9.631
  302   2HZ   LYS  34          2HZ       LYS  34  -2.395  12.948  10.795
  303   3HZ   LYS  34          3HZ       LYS  34  -1.984  12.821   9.207
  304    H    PHE  35           H        PHE  35   0.855   7.390   5.451
  305    HA   PHE  35           HA       PHE  35   2.291   7.129   8.000
  306   1HB   PHE  35          2HB       PHE  35   1.023   5.189   7.053
  307   2HB   PHE  35          3HB       PHE  35   2.014   5.288   5.628
  308    HD1  PHE  35          1HD       PHE  35   2.626   5.153   9.349
  309    HD2  PHE  35          2HD       PHE  35   3.720   3.659   5.451
  310    HE1  PHE  35          1HE       PHE  35   4.364   3.705  10.365
  311    HE2  PHE  35          2HE       PHE  35   5.225   2.050   6.488
  312    HZ   PHE  35           HZ       PHE  35   5.687   2.203   8.964
  313    H    LEU  36           H        LEU  36   2.552   8.211   4.662
  314    HA   LEU  36           HA       LEU  36   5.207   7.708   4.099
  315   1HB   LEU  36          2HB       LEU  36   3.411  10.131   3.566
  316   2HB   LEU  36          3HB       LEU  36   5.066   9.993   2.953
  317    HG   LEU  36           HG       LEU  36   2.558   8.603   2.143
  318   1HD1  LEU  36          1HD       LEU  36   4.234  10.404   0.953
  319   2HD1  LEU  36          2HD       LEU  36   4.798   8.873   0.246
  320   3HD1  LEU  36          3HD       LEU  36   3.088   9.347   0.116
  321   1HD2  LEU  36          1HD       LEU  36   5.268   7.285   1.897
  322   2HD2  LEU  36          2HD       LEU  36   3.831   6.695   2.817
  323   3HD2  LEU  36          3HD       LEU  36   3.788   6.785   1.073
  324    H    GLU  37           H        GLU  37   3.979  10.510   5.957
  325    HA   GLU  37           HA       GLU  37   6.713  11.124   6.741
  326   1HB   GLU  37          2HB       GLU  37   3.979  12.325   7.251
  327   2HB   GLU  37          3HB       GLU  37   5.314  12.787   8.304
  328   1HG   GLU  37          2HG       GLU  37   5.486  14.396   6.674
  329   2HG   GLU  37          3HG       GLU  37   6.676  13.215   6.136
  330    H    GLU  38           H        GLU  38   5.192   8.527   7.645
  331    HA   GLU  38           HA       GLU  38   5.830   8.759  10.531
  332   1HB   GLU  38          2HB       GLU  38   3.425   8.337   9.901
  333   2HB   GLU  38          3HB       GLU  38   3.991   6.872   9.090
  334   1HG   GLU  38          2HG       GLU  38   4.567   5.779  11.034
  335   2HG   GLU  38          3HG       GLU  38   4.814   7.270  11.934
  336    H    HIS  39           HN       HIS  39   6.379   6.987   7.572
  337    HA   HIS  39           HA       HIS  39   7.242   4.605   8.550
  338   1HB   HIS  39          2HB       HIS  39   7.025   5.743   6.057
  339   2HB   HIS  39          3HB       HIS  39   8.736   5.821   6.273
  340    HD1  HIS  39           HND      HIS  39   8.619   4.320   4.039
  341    HD2  HIS  39           HD       HIS  39   7.477   2.454   7.609
  342    HE1  HIS  39           HE       HIS  39   8.899   1.876   3.666
  343    HA   PRO  40           HA       PRO  40  10.951   5.757  10.711
  344   1HB   PRO  40          2HB       PRO  40  12.436   3.383  10.648
  345   2HB   PRO  40          3HB       PRO  40  10.993   3.684  11.645
  346   1HG   PRO  40          2HG       PRO  40  11.248   2.076   9.174
  347   2HG   PRO  40          3HG       PRO  40  10.031   2.018  10.515
  348   1HD   PRO  40          2HD       PRO  40   9.764   3.162   7.934
  349   2HD   PRO  40          3HD       PRO  40   8.588   3.180   9.311
  350    H    GLY  41           H        GLY  41  11.191   7.080   8.471
  351   1HA   GLY  41          2HA       GLY  41  12.966   8.107   7.403
  352   2HA   GLY  41          3HA       GLY  41  13.883   6.599   7.417
  353    H    GLY  42           H        GLY  42  10.664   5.291   6.321
  354   1HA   GLY  42          2HA       GLY  42  11.757   5.858   3.646
  355   2HA   GLY  42          3HA       GLY  42  10.505   4.731   4.114
  356    H    GLU  43           H        GLU  43   9.762   6.195   2.132
  357    HA   GLU  43           HA       GLU  43   7.347   7.335   2.746
  358   1HB   GLU  43          2HB       GLU  43   8.210   9.179   3.834
  359   2HB   GLU  43          3HB       GLU  43   9.578   9.370   2.755
  360   1HG   GLU  43          2HG       GLU  43   6.876   9.662   1.496
  361   2HG   GLU  43          3HG       GLU  43   7.258  10.859   2.730
  362    H    GLU  44           H        GLU  44  10.190   8.163   0.872
  363    HA   GLU  44           HA       GLU  44   8.787   8.517  -1.640
  364   1HB   GLU  44          2HB       GLU  44  11.044   9.439  -1.306
  365   2HB   GLU  44          3HB       GLU  44  11.722   7.806  -1.239
  366   1HG   GLU  44          2HG       GLU  44  12.178   8.474  -3.438
  367   2HG   GLU  44          3HG       GLU  44  10.771   7.488  -3.659
  368    H    VAL  45           H        VAL  45  10.459   5.661  -0.152
  369    HA   VAL  45           HA       VAL  45  10.328   4.138  -2.536
  370    HB   VAL  45           HB       VAL  45  11.659   3.787  -0.299
  371   1HG1  VAL  45          1HG       VAL  45   9.528   3.707   1.033
  372   2HG1  VAL  45          2HG       VAL  45   9.233   2.093   0.321
  373   3HG1  VAL  45          3HG       VAL  45  10.655   2.376   1.340
  374   1HG2  VAL  45          1HG       VAL  45  10.573   1.888  -2.275
  375   2HG2  VAL  45          2HG       VAL  45  12.238   2.262  -1.788
  376   3HG2  VAL  45          3HG       VAL  45  11.255   1.165  -0.794
  377    H    LEU  46           H        LEU  46   7.833   5.074   0.187
  378    HA   LEU  46           HA       LEU  46   6.177   2.908  -0.815
  379   1HB   LEU  46          2HB       LEU  46   5.282   5.561   0.229
  380   2HB   LEU  46          3HB       LEU  46   4.527   3.970   0.459
  381    HG   LEU  46           HG       LEU  46   7.021   5.150   1.766
  382   1HD1  LEU  46          1HD       LEU  46   5.493   3.890   3.703
  383   2HD1  LEU  46          2HD       LEU  46   5.570   5.601   3.322
  384   3HD1  LEU  46          3HD       LEU  46   4.325   4.564   2.573
  385   1HD2  LEU  46          1HD       LEU  46   7.177   2.523   0.990
  386   2HD2  LEU  46          2HD       LEU  46   7.934   3.288   2.366
  387   3HD2  LEU  46          3HD       LEU  46   6.434   2.378   2.578
  388    H    ARG  47           H        ARG  47   6.910   6.106  -2.110
  389    HA   ARG  47           HA       ARG  47   4.635   6.097  -3.910
  390   1HB   ARG  47          2HB       ARG  47   5.761   8.149  -3.003
  391   2HB   ARG  47          3HB       ARG  47   7.162   7.769  -4.017
  392   1HG   ARG  47          2HG       ARG  47   6.173   8.639  -5.831
  393   2HG   ARG  47          3HG       ARG  47   4.738   7.628  -5.638
  394   1HD   ARG  47          2HD       ARG  47   3.734   9.155  -4.066
  395   2HD   ARG  47          3HD       ARG  47   5.169  10.186  -4.061
  396    HE   ARG  47           HE       ARG  47   3.057  10.105  -6.064
  397   1HH1  ARG  47          2HH       ARG  47   6.507  10.776  -5.584
  398   2HH1  ARG  47          1HH       ARG  47   6.641  11.836  -6.928
  399   1HH2  ARG  47          2HH       ARG  47   3.192  11.441  -7.853
  400   2HH2  ARG  47          1HH       ARG  47   4.675  12.255  -8.270
  401    H    GLU  48           H        GLU  48   7.951   4.814  -3.985
  402    HA   GLU  48           HA       GLU  48   8.113   4.650  -6.853
  403   1HB   GLU  48          2HB       GLU  48   9.603   3.528  -4.482
  404   2HB   GLU  48          3HB       GLU  48   9.763   2.689  -6.007
  405   1HG   GLU  48          2HG       GLU  48  10.144   5.230  -6.901
  406   2HG   GLU  48          3HG       GLU  48  10.729   5.413  -5.245
  407    H    GLN  49           H        GLN  49   6.292   2.877  -4.534
  408    HA   GLN  49           HA       GLN  49   5.663   0.833  -6.631
  409   1HB   GLN  49          2HB       GLN  49   5.620   0.616  -3.618
  410   2HB   GLN  49          3HB       GLN  49   5.247  -0.683  -4.782
  411   1HG   GLN  49          2HG       GLN  49   7.985   0.671  -4.767
  412   2HG   GLN  49          3HG       GLN  49   7.617  -0.628  -3.667
  413   1HE2  GLN  49          1HE       GLN  49   9.552  -1.462  -5.024
  414   2HE2  GLN  49          2HE       GLN  49   9.084  -2.450  -6.381
  415    H    ALA  50           H        ALA  50   4.536   3.610  -5.396
  416    HA   ALA  50           HA       ALA  50   2.042   3.172  -4.333
  417   1HB   ALA  50          1HB       ALA  50   2.992   5.301  -6.273
  418   2HB   ALA  50          2HB       ALA  50   1.396   5.329  -5.468
  419   3HB   ALA  50          3HB       ALA  50   2.846   5.406  -4.490
  420    H    GLY  51           H        GLY  51  -0.017   2.883  -5.182
  421   1HA   GLY  51          2HA       GLY  51  -1.489   1.664  -6.341
  422   2HA   GLY  51          3HA       GLY  51  -1.048   2.693  -7.710
  423    H    GLY  52           H        GLY  52   1.209   0.375  -6.135
  424   1HA   GLY  52          2HA       GLY  52   1.179  -1.358  -8.534
  425   2HA   GLY  52          3HA       GLY  52   2.648  -0.523  -7.956
  426    H    ASP  53           H        ASP  53   3.260  -3.010  -7.861
  427    HA   ASP  53           HA       ASP  53   2.129  -4.316  -5.442
  428   1HB   ASP  53          2HB       ASP  53   2.241  -5.440  -7.750
  429   2HB   ASP  53          3HB       ASP  53   3.983  -5.570  -7.464
  430    H    ALA  54           H        ALA  54   3.223  -3.389  -3.741
  431    HA   ALA  54           HA       ALA  54   6.199  -3.201  -3.966
  432   1HB   ALA  54          1HB       ALA  54   6.114  -1.592  -2.382
  433   2HB   ALA  54          2HB       ALA  54   4.428  -1.412  -2.950
  434   3HB   ALA  54          3HB       ALA  54   4.774  -2.349  -1.496
  435    H    THR  55           H        THR  55   3.962  -5.552  -3.215
  436    HA   THR  55           HA       THR  55   4.637  -6.416  -0.638
  437    HB   THR  55           HB       THR  55   3.377  -7.542  -3.095
  438    HG1  THR  55          1HG       THR  55   2.859  -7.619  -0.317
  439   1HG2  THR  55          1HG       THR  55   4.548  -9.362  -0.974
  440   2HG2  THR  55          2HG       THR  55   3.207  -9.806  -2.068
  441   3HG2  THR  55          3HG       THR  55   4.798  -9.417  -2.738
  442    H    GLU  56           H        GLU  56   6.248  -6.986  -3.767
  443    HA   GLU  56           HA       GLU  56   8.117  -8.888  -2.885
  444   1HB   GLU  56          2HB       GLU  56   8.384  -6.594  -4.874
  445   2HB   GLU  56          3HB       GLU  56   9.641  -7.812  -4.601
  446   1HG   GLU  56          2HG       GLU  56   7.409  -9.409  -4.943
  447   2HG   GLU  56          3HG       GLU  56   7.037  -8.061  -6.020
  448    H    ASN  57           H        ASN  57   8.250  -5.289  -2.552
  449    HA   ASN  57           HA       ASN  57  10.874  -5.274  -1.366
  450   1HB   ASN  57          2HB       ASN  57   8.536  -3.302  -1.387
  451   2HB   ASN  57          3HB       ASN  57   9.956  -3.058  -0.383
  452   1HD2  ASN  57          1HD       ASN  57  11.756  -2.137  -1.267
  453   2HD2  ASN  57          2HD       ASN  57  11.939  -1.877  -2.995
  454    H    PHE  58           H        PHE  58   7.757  -4.504   0.108
  455    HA   PHE  58           HA       PHE  58   8.283  -4.737   2.789
  456   1HB   PHE  58          2HB       PHE  58   6.079  -4.378   2.072
  457   2HB   PHE  58          3HB       PHE  58   5.963  -5.970   1.307
  458    HD1  PHE  58          1HD       PHE  58   5.912  -8.056   2.756
  459    HD2  PHE  58          2HD       PHE  58   5.470  -4.073   4.372
  460    HE1  PHE  58          1HE       PHE  58   4.928  -9.002   4.808
  461    HE2  PHE  58          2HE       PHE  58   4.454  -5.031   6.422
  462    HZ   PHE  58           HZ       PHE  58   4.178  -7.500   6.612
  463    H    GLU  59           H        GLU  59   8.094  -7.617   0.685
  464    HA   GLU  59           HA       GLU  59   8.515  -9.519   2.834
  465   1HB   GLU  59          2HB       GLU  59   8.094  -9.549  -0.112
  466   2HB   GLU  59          3HB       GLU  59   9.201 -10.786   0.432
  467   1HG   GLU  59          2HG       GLU  59   6.519 -10.324   1.793
  468   2HG   GLU  59          3HG       GLU  59   6.706 -11.394   0.399
  469    H    ASP  60           H        ASP  60  10.582  -8.309   0.159
  470    HA   ASP  60           HA       ASP  60  12.912  -9.734   0.688
  471   1HB   ASP  60          2HB       ASP  60  12.193  -7.815  -1.158
  472   2HB   ASP  60          3HB       ASP  60  13.275  -6.877  -0.156
  473    H    VAL  61           H        VAL  61  11.996  -6.511   1.778
  474    HA   VAL  61           HA       VAL  61  14.080  -5.851   3.493
  475    HB   VAL  61           HB       VAL  61  11.097  -5.243   3.698
  476   1HG1  VAL  61          1HG       VAL  61  11.538  -4.686   5.851
  477   2HG1  VAL  61          2HG       VAL  61  13.286  -4.620   5.619
  478   3HG1  VAL  61          3HG       VAL  61  12.287  -3.239   5.169
  479   1HG2  VAL  61          1HG       VAL  61  11.949  -4.149   1.780
  480   2HG2  VAL  61          2HG       VAL  61  11.942  -2.910   3.028
  481   3HG2  VAL  61          3HG       VAL  61  13.467  -3.712   2.589
  482    H    GLY  62           H        GLY  62  11.160  -7.870   4.264
  483   1HA   GLY  62          2HA       GLY  62  11.379  -9.813   5.577
  484   2HA   GLY  62          3HA       GLY  62  12.981  -9.273   6.121
  485    H    HIS  63           HN       HIS  63  10.170  -7.169   5.946
  486    HA   HIS  63           HA       HIS  63  10.671  -5.634   7.968
  487   1HB   HIS  63          2HB       HIS  63   8.039  -6.509   6.781
  488   2HB   HIS  63          3HB       HIS  63   7.938  -5.558   8.239
  489    HD1  HIS  63           HND      HIS  63   9.261  -5.217   4.692
  490    HD2  HIS  63           HD       HIS  63   8.054  -2.934   7.996
  491    HE1  HIS  63           HE       HIS  63   9.192  -2.832   3.896
  492    H    SER  64           H        SER  64   9.758  -5.144  10.091
  493    HA   SER  64           HA       SER  64   9.876  -7.385  11.864
  494   1HB   SER  64          2HB       SER  64   9.315  -5.583  13.541
  495   2HB   SER  64          3HB       SER  64  10.708  -5.207  12.504
  496    HG   SER  64           HG       SER  64   8.319  -3.919  12.695
  497    H    THR  65           H        THR  65   8.059  -7.456  13.638
  498    HA   THR  65           HA       THR  65   5.617  -8.250  12.250
  499    HB   THR  65           HB       THR  65   6.767  -8.476  15.037
  500    HG1  THR  65          1HG       THR  65   7.405 -10.009  13.567
  501   1HG2  THR  65          1HG       THR  65   4.742  -9.743  15.685
  502   2HG2  THR  65          2HG       THR  65   4.406  -8.028  15.432
  503   3HG2  THR  65          3HG       THR  65   3.944  -9.209  14.180
  504    H    ASP  66           H        ASP  66   6.583  -5.745  14.686
  505    HA   ASP  66           HA       ASP  66   4.026  -4.662  15.122
  506   1HB   ASP  66          2HB       ASP  66   6.481  -4.111  16.050
  507   2HB   ASP  66          3HB       ASP  66   6.431  -2.859  14.810
  508    H    ALA  67           H        ALA  67   6.191  -4.446  12.366
  509    HA   ALA  67           HA       ALA  67   4.865  -2.245  11.061
  510   1HB   ALA  67          1HB       ALA  67   6.480  -2.513   9.527
  511   2HB   ALA  67          2HB       ALA  67   7.218  -3.658  10.622
  512   3HB   ALA  67          3HB       ALA  67   6.178  -4.233   9.305
  513    H    ARG  68           H        ARG  68   4.642  -5.850  10.810
  514    HA   ARG  68           HA       ARG  68   2.730  -6.077   8.818
  515   1HB   ARG  68          2HB       ARG  68   3.352  -7.747  11.156
  516   2HB   ARG  68          3HB       ARG  68   1.875  -8.059  10.220
  517   1HG   ARG  68          2HG       ARG  68   3.010  -8.220   8.187
  518   2HG   ARG  68          3HG       ARG  68   4.468  -7.395   8.810
  519   1HD   ARG  68          2HD       ARG  68   5.227  -9.523   8.761
  520   2HD   ARG  68          3HD       ARG  68   4.613  -9.430  10.427
  521    HE   ARG  68           HE       ARG  68   2.548 -10.302   8.649
  522   1HH1  ARG  68          2HH       ARG  68   5.544 -11.379  10.126
  523   2HH1  ARG  68          1HH       ARG  68   5.185 -13.068  10.082
  524   1HH2  ARG  68          2HH       ARG  68   1.996 -12.559   8.546
  525   2HH2  ARG  68          1HH       ARG  68   3.088 -13.754   9.149
  526    H    GLU  69           H        GLU  69   2.396  -4.772  12.226
  527    HA   GLU  69           HA       GLU  69  -0.482  -5.201  12.488
  528   1HB   GLU  69          2HB       GLU  69   1.585  -3.796  14.237
  529   2HB   GLU  69          3HB       GLU  69  -0.121  -3.641  14.514
  530   1HG   GLU  69          2HG       GLU  69   0.259  -6.408  14.197
  531   2HG   GLU  69          3HG       GLU  69   1.659  -5.872  15.134
  532    H    LEU  70           H        LEU  70   1.648  -2.215  12.007
  533    HA   LEU  70           HA       LEU  70  -0.503  -0.435  11.942
  534   1HB   LEU  70          2HB       LEU  70   2.115  -0.560  10.463
  535   2HB   LEU  70          3HB       LEU  70   1.094   0.848  10.535
  536    HG   LEU  70           HG       LEU  70   1.571  -0.005  13.238
  537   1HD1  LEU  70          1HD       LEU  70   4.179   0.888  12.780
  538   2HD1  LEU  70          2HD       LEU  70   3.697  -0.756  13.162
  539   3HD1  LEU  70          3HD       LEU  70   3.940  -0.268  11.469
  540   1HD2  LEU  70          1HD       LEU  70   2.358   2.265  13.487
  541   2HD2  LEU  70          2HD       LEU  70   2.567   2.439  11.731
  542   3HD2  LEU  70          3HD       LEU  70   0.940   2.260  12.425
  543    H    SER  71           H        SER  71   0.786  -2.629   9.348
  544    HA   SER  71           HA       SER  71  -0.779  -1.813   7.147
  545   1HB   SER  71          2HB       SER  71  -0.673  -4.699   7.565
  546   2HB   SER  71          3HB       SER  71  -0.073  -3.692   6.232
  547    HG   SER  71           HG       SER  71   1.678  -4.559   7.224
  548    H    LYS  72           H        LYS  72  -1.921  -3.289  10.071
  549    HA   LYS  72           HA       LYS  72  -4.458  -4.062   8.982
  550   1HB   LYS  72          2HB       LYS  72  -3.246  -4.688  11.237
  551   2HB   LYS  72          3HB       LYS  72  -3.975  -3.184  11.843
  552   1HG   LYS  72          2HG       LYS  72  -6.190  -4.172  10.817
  553   2HG   LYS  72          3HG       LYS  72  -5.297  -5.701  10.790
  554   1HD   LYS  72          2HD       LYS  72  -5.867  -5.977  12.976
  555   2HD   LYS  72          3HD       LYS  72  -4.794  -4.635  13.367
  556   1HE   LYS  72          2HE       LYS  72  -6.914  -4.064  14.283
  557   2HE   LYS  72          3HE       LYS  72  -6.718  -3.046  12.846
  558   1HZ   LYS  72          1HZ       LYS  72  -8.905  -4.311  13.202
  559   2HZ   LYS  72          2HZ       LYS  72  -8.248  -4.308  11.686
  560   3HZ   LYS  72          3HZ       LYS  72  -8.088  -5.628  12.652
  561    H    THR  73           H        THR  73  -3.250  -1.031  10.508
  562    HA   THR  73           HA       THR  73  -5.880   0.189  10.189
  563    HB   THR  73           HB       THR  73  -4.274   0.577  12.136
  564    HG1  THR  73          1HG       THR  73  -5.717   2.013  12.486
  565   1HG2  THR  73          1HG       THR  73  -2.324   1.382  10.790
  566   2HG2  THR  73          2HG       THR  73  -3.293   2.784  10.287
  567   3HG2  THR  73          3HG       THR  73  -2.873   2.547  11.990
  568    H    PHE  74           H        PHE  74  -3.555  -0.599   7.995
  569    HA   PHE  74           HA       PHE  74  -3.643   1.989   6.521
  570   1HB   PHE  74          2HB       PHE  74  -2.077  -0.565   6.302
  571   2HB   PHE  74          3HB       PHE  74  -1.961   0.721   5.096
  572    HD1  PHE  74          1HD       PHE  74   0.444   0.207   5.699
  573    HD2  PHE  74          2HD       PHE  74  -2.337   2.223   8.293
  574    HE1  PHE  74          1HE       PHE  74   2.319   1.330   6.862
  575    HE2  PHE  74          2HE       PHE  74  -0.468   3.118   9.624
  576    HZ   PHE  74           HZ       PHE  74   1.840   2.598   8.943
  577    H    ILE  75           H        ILE  75  -4.295  -1.534   6.039
  578    HA   ILE  75           HA       ILE  75  -5.183  -1.467   3.447
  579    HB   ILE  75           HB       ILE  75  -5.193  -3.269   5.592
  580   1HG1  ILE  75          2HG       ILE  75  -6.245  -3.927   2.840
  581   2HG1  ILE  75          3HG       ILE  75  -4.569  -3.461   3.083
  582   1HG2  ILE  75          1HG       ILE  75  -7.521  -2.908   6.126
  583   2HG2  ILE  75          2HG       ILE  75  -7.994  -3.084   4.413
  584   3HG2  ILE  75          3HG       ILE  75  -7.374  -4.468   5.320
  585   1HD1  ILE  75          1HD       ILE  75  -4.444  -5.239   4.937
  586   2HD1  ILE  75          2HD       ILE  75  -5.994  -5.842   4.328
  587   3HD1  ILE  75          3HD       ILE  75  -4.563  -5.847   3.290
  588    H    ILE  76           H        ILE  76  -6.400   0.020   2.580
  589    HA   ILE  76           HA       ILE  76  -8.756   1.077   4.070
  590    HB   ILE  76           HB       ILE  76  -8.849   2.615   2.061
  591   1HG1  ILE  76          2HG       ILE  76  -5.944   2.052   1.448
  592   2HG1  ILE  76          3HG       ILE  76  -7.068   0.881   0.896
  593   1HG2  ILE  76          1HG       ILE  76  -6.637   3.819   2.918
  594   2HG2  ILE  76          2HG       ILE  76  -8.101   3.748   3.882
  595   3HG2  ILE  76          3HG       ILE  76  -6.784   2.615   4.217
  596   1HD1  ILE  76          1HD       ILE  76  -8.458   2.568  -0.167
  597   2HD1  ILE  76          2HD       ILE  76  -7.341   3.818   0.390
  598   3HD1  ILE  76          3HD       ILE  76  -6.802   2.553  -0.781
  599    H    GLY  77           H        GLY  77  -7.912  -1.350   1.692
  600   1HA   GLY  77          2HA       GLY  77 -10.539  -2.257   1.607
  601   2HA   GLY  77          3HA       GLY  77 -10.254  -1.299   0.119
  602    H    GLU  78           H        GLU  78 -10.548  -3.438  -1.046
  603    HA   GLU  78           HA       GLU  78  -7.941  -4.773  -1.212
  604   1HB   GLU  78          2HB       GLU  78  -9.463  -6.138   0.225
  605   2HB   GLU  78          3HB       GLU  78 -10.563  -6.309  -1.175
  606   1HG   GLU  78          2HG       GLU  78  -9.124  -7.705  -2.313
  607   2HG   GLU  78          3HG       GLU  78  -7.712  -7.028  -1.554
  608    H    LEU  79           H        LEU  79  -7.944  -6.126  -3.355
  609    HA   LEU  79           HA       LEU  79  -8.690  -4.360  -5.476
  610   1HB   LEU  79          2HB       LEU  79  -7.479  -7.150  -5.192
  611   2HB   LEU  79          3HB       LEU  79  -8.084  -6.645  -6.762
  612    HG   LEU  79           HG       LEU  79  -5.817  -6.159  -6.812
  613   1HD1  LEU  79          1HD       LEU  79  -5.761  -3.896  -7.304
  614   2HD1  LEU  79          2HD       LEU  79  -7.473  -4.365  -7.547
  615   3HD1  LEU  79          3HD       LEU  79  -6.971  -3.495  -6.076
  616   1HD2  LEU  79          1HD       LEU  79  -4.788  -6.076  -4.784
  617   2HD2  LEU  79          2HD       LEU  79  -4.996  -4.330  -5.015
  618   3HD2  LEU  79          3HD       LEU  79  -6.109  -5.207  -3.985
  619    H    HIS  80           H        HIS  80  -9.951  -5.025  -7.361
  620    HA   HIS  80           HA       HIS  80 -12.568  -5.427  -6.497
  621   1HB   HIS  80          2HB       HIS  80 -11.305  -4.630  -8.882
  622   2HB   HIS  80          3HB       HIS  80 -12.156  -6.120  -9.329
  623    HD1  HIS  80           HD1      HIS  80 -13.875  -4.714 -10.854
  624    HD2  HIS  80           HD2      HIS  80 -13.569  -3.531  -6.848
  625    HE1  HIS  80           HE1      HIS  80 -15.771  -3.041 -10.429
  626    HA   PRO  81           HA       PRO  81 -12.981  -9.719  -6.432
  627   1HB   PRO  81          2HB       PRO  81 -15.630 -10.118  -7.270
  628   2HB   PRO  81          3HB       PRO  81 -15.149  -9.537  -5.647
  629   1HG   PRO  81          2HG       PRO  81 -16.312  -7.990  -7.916
  630   2HG   PRO  81          3HG       PRO  81 -16.324  -7.628  -6.162
  631   1HD   PRO  81          2HD       PRO  81 -14.632  -6.532  -8.172
  632   2HD   PRO  81          3HD       PRO  81 -14.522  -6.274  -6.406
  633    H    ASP  82           H        ASP  82 -13.952  -8.119  -9.447
  634    HA   ASP  82           HA       ASP  82 -13.933 -10.441 -11.046
  635   1HB   ASP  82          2HB       ASP  82 -13.214  -7.594 -11.873
  636   2HB   ASP  82          3HB       ASP  82 -13.710  -8.889 -12.956
  637    H    ASP  83           H        ASP  83 -11.411  -8.465  -9.648
  638    HA   ASP  83           HA       ASP  83  -9.319  -9.390 -11.423
  639   1HB   ASP  83          2HB       ASP  83  -8.890  -7.940  -8.810
  640   2HB   ASP  83          3HB       ASP  83  -7.884  -7.930 -10.256
  641    H    ARG  84           H        ARG  84 -10.986 -11.117  -9.336
  642    HA   ARG  84           HA       ARG  84  -8.635 -12.356  -8.011
  643   1HB   ARG  84          2HB       ARG  84 -10.586 -11.530  -6.669
  644   2HB   ARG  84          3HB       ARG  84 -11.616 -12.687  -7.508
  645   1HG   ARG  84          2HG       ARG  84  -9.208 -13.996  -6.440
  646   2HG   ARG  84          3HG       ARG  84 -10.021 -13.095  -5.181
  647   1HD   ARG  84          2HD       ARG  84 -11.593 -14.656  -4.976
  648   2HD   ARG  84          3HD       ARG  84 -12.059 -14.511  -6.678
  649    HE   ARG  84           HE       ARG  84  -9.805 -15.987  -6.840
  650   1HH1  ARG  84          2HH       ARG  84 -12.947 -16.274  -5.292
  651   2HH1  ARG  84          1HH       ARG  84 -13.010 -18.002  -5.296
  652   1HH2  ARG  84          2HH       ARG  84  -9.780 -18.323  -6.768
  653   2HH2  ARG  84          1HH       ARG  84 -11.144 -19.203  -6.171
  654    H    SER  85           H        SER  85 -10.890 -12.821 -10.577
  655    HA   SER  85           HA       SER  85  -9.793 -15.042 -11.785
  656   1HB   SER  85          2HB       SER  85 -11.531 -16.837 -11.006
  657   2HB   SER  85          3HB       SER  85 -10.074 -16.564 -10.074
  658    HG   SER  85           HG       SER  85 -12.674 -16.192  -9.376
  659    H    LYS  86           H        LYS  86 -11.065 -12.678 -12.571
  660    HA   LYS  86           HA       LYS  86 -13.255 -13.853 -14.199
  661   1HB   LYS  86          2HB       LYS  86 -13.966 -12.449 -12.052
  662   2HB   LYS  86          3HB       LYS  86 -13.586 -11.077 -13.101
  663   1HG   LYS  86          2HG       LYS  86 -15.375 -13.222 -14.193
  664   2HG   LYS  86          3HG       LYS  86 -16.022 -12.133 -12.958
  665   1HD   LYS  86          2HD       LYS  86 -15.351 -10.161 -14.346
  666   2HD   LYS  86          3HD       LYS  86 -14.796 -11.280 -15.604
  667   1HE   LYS  86          2HE       LYS  86 -17.215 -12.318 -15.290
  668   2HE   LYS  86          3HE       LYS  86 -17.593 -10.706 -14.654
  669   1HZ   LYS  86          1HZ       LYS  86 -16.909  -9.752 -16.695
  670   2HZ   LYS  86          2HZ       LYS  86 -16.282 -11.171 -17.248
  671   3HZ   LYS  86          3HZ       LYS  86 -17.919 -10.998 -17.080
  672    H    LEU  87           H        LEU  87 -10.962 -11.114 -13.739
  673    HA   LEU  87           HA       LEU  87 -11.146  -9.803 -16.139
  674   1HB   LEU  87          2HB       LEU  87  -8.663 -10.712 -14.620
  675   2HB   LEU  87          3HB       LEU  87  -8.605  -9.550 -15.938
  676    HG   LEU  87           HG       LEU  87 -10.210  -9.130 -13.394
  677   1HD1  LEU  87          1HD       LEU  87  -7.519  -7.915 -14.150
  678   2HD1  LEU  87          2HD       LEU  87  -8.413  -7.713 -12.641
  679   3HD1  LEU  87          3HD       LEU  87  -7.715  -9.290 -13.037
  680   1HD2  LEU  87          1HD       LEU  87  -9.678  -6.655 -14.447
  681   2HD2  LEU  87          2HD       LEU  87  -9.925  -7.607 -15.927
  682   3HD2  LEU  87          3HD       LEU  87 -11.184  -7.542 -14.668
  683    H    SER  88           H        SER  88 -10.074 -10.050 -18.169
  684    HA   SER  88           HA       SER  88  -9.424 -11.153 -20.035
  685   1HB   SER  88          2HB       SER  88  -7.549 -12.212 -19.569
  686   2HB   SER  88          3HB       SER  88  -8.068 -12.742 -17.991
  687    HG   SER  88           HG       SER  88  -8.874 -14.062 -20.369
  688    H    LYS  89           H        LYS  89 -11.357 -11.301 -21.128
  689    HA   LYS  89           HA       LYS  89 -12.562 -13.940 -21.021
  690   1HB   LYS  89          2HB       LYS  89 -13.808 -12.875 -19.241
  691   2HB   LYS  89          3HB       LYS  89 -14.114 -11.453 -20.259
  692   1HG   LYS  89          2HG       LYS  89 -15.310 -13.053 -21.864
  693   2HG   LYS  89          3HG       LYS  89 -15.201 -14.288 -20.613
  694   1HD   LYS  89          2HD       LYS  89 -16.828 -13.289 -19.346
  695   2HD   LYS  89          3HD       LYS  89 -16.289 -11.642 -19.734
  696   1HE   LYS  89          2HE       LYS  89 -17.696 -11.413 -21.475
  697   2HE   LYS  89          3HE       LYS  89 -17.261 -12.986 -22.136
  698   1HZ   LYS  89          1HZ       LYS  89 -19.380 -12.371 -20.215
  699   2HZ   LYS  89          2HZ       LYS  89 -19.453 -13.225 -21.618
  700   3HZ   LYS  89          3HZ       LYS  89 -18.744 -13.895 -20.298
  701    HA   PRO  90           HA       PRO  90 -12.644 -12.475 -25.266
  702   1HB   PRO  90          2HB       PRO  90 -13.640 -14.817 -26.414
  703   2HB   PRO  90          3HB       PRO  90 -11.931 -14.512 -26.003
  704   1HG   PRO  90          2HG       PRO  90 -13.899 -16.252 -24.603
  705   2HG   PRO  90          3HG       PRO  90 -12.111 -16.314 -24.599
  706   1HD   PRO  90          2HD       PRO  90 -13.826 -15.219 -22.587
  707   2HD   PRO  90          3HD       PRO  90 -12.038 -15.140 -22.660
  708    H    MET  91           H        MET  91 -14.344 -12.366 -27.078
  709    HA   MET  91           HA       MET  91 -17.120 -12.448 -26.141
  710   1HB   MET  91          2HB       MET  91 -17.389 -10.047 -26.958
  711   2HB   MET  91          3HB       MET  91 -16.563 -10.232 -25.415
  712   1HG   MET  91          2HG       MET  91 -14.520  -9.587 -26.238
  713   2HG   MET  91          3HG       MET  91 -14.825 -10.201 -27.864
  714   1HE   MET  91          1HE       MET  91 -16.929  -7.576 -29.608
  715   2HE   MET  91          2HE       MET  91 -15.565  -8.676 -29.914
  716   3HE   MET  91          3HE       MET  91 -17.034  -9.282 -29.120
  717    H    GLU  92           H        GLU  92 -18.532 -11.532 -28.140
  718    HA   GLU  92           HA       GLU  92 -17.231 -12.187 -30.667
  719   1HB   GLU  92          2HB       GLU  92 -18.451 -14.224 -29.445
  720   2HB   GLU  92          3HB       GLU  92 -19.917 -13.458 -30.043
  721   1HG   GLU  92          2HG       GLU  92 -17.655 -13.768 -32.013
  722   2HG   GLU  92          3HG       GLU  92 -18.377 -15.260 -31.426
  723    H    THR  93           H        THR  93 -18.084 -10.903 -32.326
  724    HA   THR  93           HA       THR  93 -20.480  -9.346 -31.707
  725    HB   THR  93           HB       THR  93 -18.362  -8.009 -31.222
  726    HG1  THR  93          1HG       THR  93 -20.049  -7.034 -33.262
  727   1HG2  THR  93          1HG       THR  93 -18.138  -7.513 -34.185
  728   2HG2  THR  93          2HG       THR  93 -16.964  -7.211 -32.893
  729   3HG2  THR  93          3HG       THR  93 -17.236  -8.862 -33.481
  730    H    LEU  94           H        LEU  94 -21.661  -8.917 -33.535
  731    HA   LEU  94           HA       LEU  94 -21.556 -10.716 -35.677
  732   1HB   LEU  94          2HB       LEU  94 -23.514  -9.777 -36.304
  733   2HB   LEU  94          3HB       LEU  94 -23.440  -9.076 -34.716
  734    HG   LEU  94           HG       LEU  94 -24.111  -7.351 -36.051
  735   1HD1  LEU  94          1HD       LEU  94 -21.224  -6.564 -36.249
  736   2HD1  LEU  94          2HD       LEU  94 -22.613  -5.647 -35.692
  737   3HD1  LEU  94          3HD       LEU  94 -21.915  -6.909 -34.658
  738   1HD2  LEU  94          1HD       LEU  94 -22.065  -7.298 -38.181
  739   2HD2  LEU  94          2HD       LEU  94 -23.093  -8.721 -38.200
  740   3HD2  LEU  94          3HD       LEU  94 -23.832  -7.112 -38.262
  741    HHA  HEM  95          MHG       HEM  95  11.936  -0.256   8.575
  742    HHB  HEM  95          MHD       HEM  95   5.605  -0.171   9.518
  743    HHC  HEM  95          MHA       HEM  95   4.772  -0.951   3.185
  744    HHD  HEM  95          MHB       HEM  95  11.043  -0.146   2.229
  745   1HMA  HEM  95          1HM       HEM  95   6.874  -1.170  11.514
  746   2HMA  HEM  95          2HM       HEM  95   8.218  -0.376  12.327
  747   3HMA  HEM  95          3HM       HEM  95   6.922   0.597  11.608
  748   1HAA  HEM  95          1HP       HEM  95  10.357  -0.314  11.980
  749   2HAA  HEM  95          2HP       HEM  95  11.466   0.274  10.764
  750   1HBA  HEM  95          3HP       HEM  95  11.425  -2.214   9.882
  751   2HBA  HEM  95          4HP       HEM  95  10.837  -2.567  11.506
  752   1HMB  HEM  95          1HM       HEM  95   3.620  -1.253   9.039
  753   2HMB  HEM  95          2HM       HEM  95   3.173   0.401   8.676
  754   3HMB  HEM  95          3HM       HEM  95   2.291  -0.960   7.901
  755    HAB  HEM  95          AHT       HEM  95   2.971  -1.371   4.032
  756   1HBB  HEM  95          CHV       HEM  95   2.434  -3.001   5.946
  757   2HBB  HEM  95          THV       HEM  95   1.102  -2.235   4.958
  758   1HMC  HEM  95          1HM       HEM  95   5.203  -1.817   1.305
  759   2HMC  HEM  95          2HM       HEM  95   5.595  -0.382   0.344
  760   3HMC  HEM  95          3HM       HEM  95   6.429  -1.958   0.083
  761    HAC  HEM  95          AHT       HEM  95  10.159  -0.459   0.285
  762   1HBC  HEM  95          THV       HEM  95   9.060   0.127  -1.697
  763   2HBC  HEM  95          CHV       HEM  95   7.409  -0.298  -0.995
  764   1HMD  HEM  95          1HM       HEM  95  12.988   1.100   2.765
  765   2HMD  HEM  95          2HM       HEM  95  14.301   0.799   3.912
  766   3HMD  HEM  95          3HM       HEM  95  13.599  -0.553   2.994
  767   1HAD  HEM  95          1HP       HEM  95  13.651   0.664   7.699
  768   2HAD  HEM  95          2HP       HEM  95  14.266   1.372   6.239
  769   1HBD  HEM  95          3HP       HEM  95  15.765  -0.293   5.996
  770   2HBD  HEM  95          4HP       HEM  95  14.489  -1.516   6.015
  Start of MODEL    6
    1   1H    ASP   1           H1       ASP   1  -7.875   5.169   8.455
    2   2H    ASP   1           H2       ASP   1  -6.272   4.899   8.179
    3   3H    ASP   1           H3       ASP   1  -7.004   6.253   7.538
    4    HA   ASP   1           HA       ASP   1  -8.252   5.009   6.035
    5   1HB   ASP   1          2HB       ASP   1  -5.323   4.333   6.282
    6   2HB   ASP   1          3HB       ASP   1  -6.271   3.955   4.840
    7    H    LYS   2           H        LYS   2  -9.726   3.145   6.112
    8    HA   LYS   2           HA       LYS   2  -8.705   0.754   7.358
    9   1HB   LYS   2          2HB       LYS   2 -10.269   0.748   9.270
   10   2HB   LYS   2          3HB       LYS   2  -9.036   1.981   9.426
   11   1HG   LYS   2          2HG       LYS   2 -10.506   3.697   9.379
   12   2HG   LYS   2          3HG       LYS   2 -11.500   2.993   8.106
   13   1HD   LYS   2          2HD       LYS   2 -12.932   1.982   9.538
   14   2HD   LYS   2          3HD       LYS   2 -11.677   1.573  10.725
   15   1HE   LYS   2          2HE       LYS   2 -11.632   3.760  11.641
   16   2HE   LYS   2          3HE       LYS   2 -12.619   4.428  10.331
   17   1HZ   LYS   2          1HZ       LYS   2 -14.481   3.209  11.114
   18   2HZ   LYS   2          2HZ       LYS   2 -13.591   2.387  12.228
   19   3HZ   LYS   2          3HZ       LYS   2 -13.847   4.003  12.408
   20    H    ASP   3           H        ASP   3 -10.577  -0.771   7.760
   21    HA   ASP   3           HA       ASP   3 -12.360  -1.949   7.052
   22   1HB   ASP   3          2HB       ASP   3 -13.507   0.422   7.279
   23   2HB   ASP   3          3HB       ASP   3 -13.511   0.377   5.508
   24    H    VAL   4           H        VAL   4 -13.583  -2.200   4.518
   25    HA   VAL   4           HA       VAL   4 -11.285  -2.190   2.668
   26    HB   VAL   4           HB       VAL   4 -13.071  -4.623   2.800
   27   1HG1  VAL   4          1HG       VAL   4 -10.114  -4.243   2.209
   28   2HG1  VAL   4          2HG       VAL   4 -11.132  -5.643   1.799
   29   3HG1  VAL   4          3HG       VAL   4 -11.382  -4.095   0.974
   30   1HG2  VAL   4          1HG       VAL   4 -10.637  -4.200   4.582
   31   2HG2  VAL   4          2HG       VAL   4 -12.312  -4.490   5.123
   32   3HG2  VAL   4          3HG       VAL   4 -11.435  -5.759   4.259
   33    H    LYS   5           H        LYS   5 -12.199  -0.519   1.459
   34    HA   LYS   5           HA       LYS   5 -15.029  -0.679   0.842
   35   1HB   LYS   5          2HB       LYS   5 -13.412   1.466   1.025
   36   2HB   LYS   5          3HB       LYS   5 -13.192   1.111  -0.690
   37   1HG   LYS   5          2HG       LYS   5 -15.965   0.963  -0.424
   38   2HG   LYS   5          3HG       LYS   5 -15.557   2.172   0.779
   39   1HD   LYS   5          2HD       LYS   5 -14.093   2.830  -1.598
   40   2HD   LYS   5          3HD       LYS   5 -15.701   2.407  -2.127
   41   1HE   LYS   5          2HE       LYS   5 -15.553   4.165   0.287
   42   2HE   LYS   5          3HE       LYS   5 -14.888   4.879  -1.186
   43   1HZ   LYS   5          1HZ       LYS   5 -17.509   3.611  -1.320
   44   2HZ   LYS   5          2HZ       LYS   5 -17.386   5.111  -0.650
   45   3HZ   LYS   5          3HZ       LYS   5 -16.899   4.861  -2.201
   46    H    TYR   6           H        TYR   6 -12.466  -2.375  -0.441
   47    HA   TYR   6           HA       TYR   6 -11.948  -3.485  -2.285
   48   1HB   TYR   6          2HB       TYR   6 -14.907  -3.439  -2.116
   49   2HB   TYR   6          3HB       TYR   6 -14.263  -3.719  -3.698
   50    HD1  TYR   6           HD1      TYR   6 -12.965  -4.818  -0.340
   51    HD2  TYR   6           HD2      TYR   6 -14.699  -5.988  -4.096
   52    HE1  TYR   6           HE1      TYR   6 -12.543  -7.206   0.216
   53    HE2  TYR   6           HE2      TYR   6 -14.337  -8.398  -3.497
   54    HH   TYR   6           HH       TYR   6 -12.187  -9.336  -1.299
   55    H    TYR   7           H        TYR   7 -10.559  -2.580  -3.935
   56    HA   TYR   7           HA       TYR   7 -11.792  -0.599  -5.663
   57   1HB   TYR   7          2HB       TYR   7  -9.245  -0.550  -3.996
   58   2HB   TYR   7          3HB       TYR   7  -9.330   0.223  -5.524
   59    HD1  TYR   7           HD1      TYR   7 -11.086   2.112  -5.888
   60    HD2  TYR   7           HD2      TYR   7 -10.322   0.365  -2.050
   61    HE1  TYR   7           HE1      TYR   7 -12.109   4.077  -4.823
   62    HE2  TYR   7           HE2      TYR   7 -11.301   2.335  -0.938
   63    HH   TYR   7           HH       TYR   7 -12.011   4.545  -1.287
   64    H    THR   8           H        THR   8 -10.445  -0.508  -7.692
   65    HA   THR   8           HA       THR   8  -9.645  -3.279  -8.454
   66    HB   THR   8           HB       THR   8 -10.085  -2.404 -10.761
   67    HG1  THR   8          1HG       THR   8 -11.399  -0.183  -9.749
   68   1HG2  THR   8          1HG       THR   8 -12.371  -2.091  -8.766
   69   2HG2  THR   8          2HG       THR   8 -12.581  -2.120 -10.529
   70   3HG2  THR   8          3HG       THR   8 -11.920  -3.539  -9.699
   71    H    LEU   9           H        LEU   9  -7.842  -3.285 -10.093
   72    HA   LEU   9           HA       LEU   9  -5.560  -1.937  -9.106
   73   1HB   LEU   9          2HB       LEU   9  -5.848  -2.921 -11.958
   74   2HB   LEU   9          3HB       LEU   9  -4.377  -2.555 -11.094
   75    HG   LEU   9           HG       LEU   9  -4.359  -4.806 -10.965
   76   1HD1  LEU   9          1HD       LEU   9  -4.742  -5.488  -8.708
   77   2HD1  LEU   9          2HD       LEU   9  -4.245  -3.789  -8.633
   78   3HD1  LEU   9          3HD       LEU   9  -5.961  -4.237  -8.430
   79   1HD2  LEU   9          1HD       LEU   9  -6.197  -6.247 -10.842
   80   2HD2  LEU   9          2HD       LEU   9  -7.261  -4.995 -10.209
   81   3HD2  LEU   9          3HD       LEU   9  -6.742  -4.914 -11.893
   82    H    GLU  10           H        GLU  10  -7.802  -1.031 -11.735
   83    HA   GLU  10           HA       GLU  10  -6.387   1.218 -12.712
   84   1HB   GLU  10          2HB       GLU  10  -9.307   0.421 -12.596
   85   2HB   GLU  10          3HB       GLU  10  -8.809   1.967 -13.309
   86   1HG   GLU  10          2HG       GLU  10  -7.489   0.923 -14.986
   87   2HG   GLU  10          3HG       GLU  10  -7.495  -0.637 -14.157
   88    H    GLU  11           H        GLU  11  -8.606   0.903  -9.842
   89    HA   GLU  11           HA       GLU  11  -8.634   3.734  -9.393
   90   1HB   GLU  11          2HB       GLU  11  -9.264   1.290  -7.697
   91   2HB   GLU  11          3HB       GLU  11  -9.382   2.936  -7.100
   92   1HG   GLU  11          2HG       GLU  11 -10.802   1.923  -9.579
   93   2HG   GLU  11          3HG       GLU  11 -11.531   1.976  -7.977
   94    H    ILE  12           H        ILE  12  -6.693   0.996  -8.017
   95    HA   ILE  12           HA       ILE  12  -5.350   2.736  -6.180
   96    HB   ILE  12           HB       ILE  12  -4.414   0.081  -7.309
   97   1HG1  ILE  12          2HG       ILE  12  -5.666   0.128  -4.607
   98   2HG1  ILE  12          3HG       ILE  12  -6.754   0.622  -5.842
   99   1HG2  ILE  12          1HG       ILE  12  -2.592   0.347  -6.019
  100   2HG2  ILE  12          2HG       ILE  12  -3.202   1.896  -5.379
  101   3HG2  ILE  12          3HG       ILE  12  -3.591   0.388  -4.575
  102   1HD1  ILE  12          1HD       ILE  12  -7.012  -1.747  -5.758
  103   2HD1  ILE  12          2HD       ILE  12  -6.040  -1.441  -7.192
  104   3HD1  ILE  12          3HD       ILE  12  -5.256  -2.020  -5.761
  105    H    LYS  13           H        LYS  13  -4.881   2.013  -9.561
  106    HA   LYS  13           HA       LYS  13  -2.260   3.294  -9.787
  107   1HB   LYS  13          2HB       LYS  13  -4.232   2.079 -11.729
  108   2HB   LYS  13          3HB       LYS  13  -2.724   2.846 -12.260
  109   1HG   LYS  13          2HG       LYS  13  -1.351   1.252 -11.254
  110   2HG   LYS  13          3HG       LYS  13  -2.506   0.905  -9.983
  111   1HD   LYS  13          2HD       LYS  13  -3.034  -0.938 -10.934
  112   2HD   LYS  13          3HD       LYS  13  -3.813  -0.062 -12.258
  113   1HE   LYS  13          2HE       LYS  13  -0.946  -1.078 -12.136
  114   2HE   LYS  13          3HE       LYS  13  -2.279  -1.745 -13.092
  115   1HZ   LYS  13          1HZ       LYS  13  -2.377   0.550 -14.120
  116   2HZ   LYS  13          2HZ       LYS  13  -0.883   0.802 -13.474
  117   3HZ   LYS  13          3HZ       LYS  13  -1.115  -0.415 -14.561
  118    H    LYS  14           H        LYS  14  -5.395   4.459  -9.455
  119    HA   LYS  14           HA       LYS  14  -5.057   6.899 -11.028
  120   1HB   LYS  14          2HB       LYS  14  -7.215   5.329 -10.033
  121   2HB   LYS  14          3HB       LYS  14  -7.299   6.831  -9.126
  122   1HG   LYS  14          2HG       LYS  14  -7.500   8.099 -11.170
  123   2HG   LYS  14          3HG       LYS  14  -7.098   6.673 -12.164
  124   1HD   LYS  14          2HD       LYS  14  -9.120   5.595 -11.733
  125   2HD   LYS  14          3HD       LYS  14  -9.442   6.512 -10.256
  126   1HE   LYS  14          2HE       LYS  14 -10.408   8.232 -11.316
  127   2HE   LYS  14          3HE       LYS  14  -9.213   8.247 -12.625
  128   1HZ   LYS  14          1HZ       LYS  14 -11.446   7.648 -13.373
  129   2HZ   LYS  14          2HZ       LYS  14 -10.365   6.436 -13.653
  130   3HZ   LYS  14          3HZ       LYS  14 -11.421   6.306 -12.398
  131    H    HIS  15           H        HIS  15  -4.190   5.837  -7.820
  132    HA   HIS  15           HA       HIS  15  -4.293   8.598  -6.760
  133   1HB   HIS  15          2HB       HIS  15  -3.520   5.948  -5.472
  134   2HB   HIS  15          3HB       HIS  15  -3.560   7.515  -4.649
  135    HD1  HIS  15           HD1      HIS  15  -6.010   8.596  -4.188
  136    HD2  HIS  15           HD2      HIS  15  -5.956   4.842  -6.061
  137    HE1  HIS  15           HE1      HIS  15  -8.422   7.758  -4.250
  138    H    ASN  16           H        ASN  16  -1.657   7.548  -5.249
  139    HA   ASN  16           HA       ASN  16   0.526   7.721  -5.412
  140   1HB   ASN  16          2HB       ASN  16   0.468   7.397  -8.389
  141   2HB   ASN  16          3HB       ASN  16   1.554   6.680  -7.193
  142   1HD2  ASN  16          1HD       ASN  16  -0.664   5.734  -9.381
  143   2HD2  ASN  16          2HD       ASN  16  -1.570   4.561  -8.412
  144    H    HIS  17           H        HIS  17  -0.868  10.128  -5.411
  145    HA   HIS  17           HA       HIS  17   0.650  11.848  -7.349
  146   1HB   HIS  17          2HB       HIS  17  -2.058  12.145  -6.045
  147   2HB   HIS  17          3HB       HIS  17  -1.188  13.535  -6.699
  148    HD1  HIS  17           HD1      HIS  17  -0.779  13.572  -9.387
  149    HD2  HIS  17           HD2      HIS  17  -3.212  10.485  -7.866
  150    HE1  HIS  17           HE1      HIS  17  -2.032  12.562 -11.372
  151    H    SER  18           H        SER  18  -0.827  12.401  -4.150
  152    HA   SER  18           HA       SER  18   1.654  12.930  -2.818
  153   1HB   SER  18          2HB       SER  18   1.133  14.968  -4.595
  154   2HB   SER  18          3HB       SER  18   0.298  15.573  -3.163
  155    HG   SER  18           HG       SER  18   2.762  15.833  -3.613
  156    H    LYS  19           H        LYS  19  -1.834  13.611  -3.066
  157    HA   LYS  19           HA       LYS  19  -2.059  13.454  -0.103
  158   1HB   LYS  19          2HB       LYS  19  -3.431  15.094  -2.173
  159   2HB   LYS  19          3HB       LYS  19  -4.534  14.267  -1.082
  160   1HG   LYS  19          2HG       LYS  19  -4.036  16.402  -0.108
  161   2HG   LYS  19          3HG       LYS  19  -3.288  15.145   0.874
  162   1HD   LYS  19          2HD       LYS  19  -1.313  15.857  -1.033
  163   2HD   LYS  19          3HD       LYS  19  -2.052  17.382  -0.590
  164   1HE   LYS  19          2HE       LYS  19  -1.214  17.340   1.532
  165   2HE   LYS  19          3HE       LYS  19  -1.515  15.613   1.730
  166   1HZ   LYS  19          1HZ       LYS  19   0.545  15.860  -0.112
  167   2HZ   LYS  19          2HZ       LYS  19   0.917  16.833   1.174
  168   3HZ   LYS  19          3HZ       LYS  19   0.594  15.228   1.373
  169    H    SER  20           H        SER  20  -1.665  11.277  -2.259
  170    HA   SER  20           HA       SER  20  -3.373   9.414  -1.008
  171   1HB   SER  20          2HB       SER  20  -4.613   8.646  -2.907
  172   2HB   SER  20          3HB       SER  20  -5.076  10.285  -2.440
  173    HG   SER  20           HG       SER  20  -4.803  10.642  -4.511
  174    H    THR  21           H        THR  21  -1.861   7.852  -0.732
  175    HA   THR  21           HA       THR  21  -0.174   6.996  -2.998
  176    HB   THR  21           HB       THR  21   0.702   7.754  -0.187
  177    HG1  THR  21          1HG       THR  21   1.483   8.466  -2.817
  178   1HG2  THR  21          1HG       THR  21   2.956   6.850  -1.569
  179   2HG2  THR  21          2HG       THR  21   2.102   6.014  -0.246
  180   3HG2  THR  21          3HG       THR  21   1.744   5.620  -1.936
  181    H    TRP  22           H        TRP  22  -1.589   5.325  -3.320
  182    HA   TRP  22           HA       TRP  22  -2.048   3.493  -1.050
  183   1HB   TRP  22          2HB       TRP  22  -3.098   3.592  -3.897
  184   2HB   TRP  22          3HB       TRP  22  -3.492   2.321  -2.733
  185    HD1  TRP  22           HD1      TRP  22  -3.466   5.483  -0.852
  186    HE1  TRP  22           HE1      TRP  22  -5.799   6.313  -0.430
  187    HE3  TRP  22           HE3      TRP  22  -5.964   2.479  -4.142
  188    HZ2  TRP  22           HZ2      TRP  22  -8.440   5.951  -1.570
  189    HZ3  TRP  22           HZ3      TRP  22  -8.405   2.791  -4.503
  190    HH2  TRP  22           HH2      TRP  22  -9.623   4.552  -3.252
  191    H    LEU  23           H        LEU  23  -1.667   1.112  -1.762
  192    HA   LEU  23           HA       LEU  23   0.107   0.429  -3.857
  193   1HB   LEU  23          2HB       LEU  23   2.091  -0.183  -2.369
  194   2HB   LEU  23          3HB       LEU  23   1.884   1.486  -2.813
  195    HG   LEU  23           HG       LEU  23   0.650   1.733  -0.480
  196   1HD1  LEU  23          1HD       LEU  23   0.813  -0.878  -0.272
  197   2HD1  LEU  23          2HD       LEU  23   2.405  -0.504   0.387
  198   3HD1  LEU  23          3HD       LEU  23   0.949   0.184   1.134
  199   1HD2  LEU  23          1HD       LEU  23   3.561   1.275  -0.001
  200   2HD2  LEU  23          2HD       LEU  23   3.179   2.355  -1.341
  201   3HD2  LEU  23          3HD       LEU  23   2.540   2.710   0.246
  202    H    ILE  24           H        ILE  24   0.740  -1.970  -3.580
  203    HA   ILE  24           HA       ILE  24  -1.470  -3.291  -2.054
  204    HB   ILE  24           HB       ILE  24   0.071  -4.266  -4.502
  205   1HG1  ILE  24          2HG       ILE  24  -0.998  -2.335  -5.304
  206   2HG1  ILE  24          3HG       ILE  24  -1.921  -3.722  -5.864
  207   1HG2  ILE  24          1HG       ILE  24  -1.253  -5.882  -2.913
  208   2HG2  ILE  24          2HG       ILE  24  -2.654  -5.280  -3.828
  209   3HG2  ILE  24          3HG       ILE  24  -1.302  -6.055  -4.670
  210   1HD1  ILE  24          1HD       ILE  24  -3.282  -1.800  -5.082
  211   2HD1  ILE  24          2HD       ILE  24  -3.656  -3.291  -4.199
  212   3HD1  ILE  24          3HD       ILE  24  -2.699  -2.024  -3.443
  213    H    LEU  25           H        LEU  25  -0.480  -4.379  -0.224
  214    HA   LEU  25           HA       LEU  25   2.323  -5.332  -0.596
  215   1HB   LEU  25          2HB       LEU  25   0.945  -4.776   2.002
  216   2HB   LEU  25          3HB       LEU  25   2.637  -5.209   1.771
  217    HG   LEU  25           HG       LEU  25   1.337  -2.702   0.697
  218   1HD1  LEU  25          1HD       LEU  25   2.276  -1.585   2.423
  219   2HD1  LEU  25          2HD       LEU  25   2.036  -3.155   3.236
  220   3HD1  LEU  25          3HD       LEU  25   3.628  -2.729   2.580
  221   1HD2  LEU  25          1HD       LEU  25   3.823  -2.152   0.257
  222   2HD2  LEU  25          2HD       LEU  25   4.105  -3.899   0.416
  223   3HD2  LEU  25          3HD       LEU  25   3.017  -3.284  -0.842
  224    H    HIS  26           H        HIS  26  -0.154  -6.776  -1.288
  225    HA   HIS  26           HA       HIS  26   0.171  -9.381  -1.058
  226   1HB   HIS  26          2HB       HIS  26  -0.886 -10.223   1.022
  227   2HB   HIS  26          3HB       HIS  26   0.698  -9.527   1.251
  228    HD1  HIS  26           HD1      HIS  26  -0.571  -9.566   3.875
  229    HD2  HIS  26           HD2      HIS  26  -1.407  -6.587   1.059
  230    HE1  HIS  26           HE1      HIS  26  -1.572  -7.594   5.183
  231    H    HIS  27           H        HIS  27  -1.196  -8.831  -2.860
  232    HA   HIS  27           HA       HIS  27  -3.108  -8.227  -3.936
  233   1HB   HIS  27          2HB       HIS  27  -4.153 -10.523  -2.260
  234   2HB   HIS  27          3HB       HIS  27  -4.661 -10.074  -3.889
  235    HD1  HIS  27           HD1      HIS  27  -2.658 -10.491  -5.852
  236    HD2  HIS  27           HD2      HIS  27  -2.136 -12.166  -2.019
  237    HE1  HIS  27           HE1      HIS  27  -0.802 -12.238  -6.055
  238    H    LYS  28           H        LYS  28  -3.057  -6.368  -1.829
  239    HA   LYS  28           HA       LYS  28  -5.877  -6.027  -1.052
  240   1HB   LYS  28          2HB       LYS  28  -3.474  -6.225   0.771
  241   2HB   LYS  28          3HB       LYS  28  -4.866  -5.315   1.263
  242   1HG   LYS  28          2HG       LYS  28  -5.564  -8.043   0.316
  243   2HG   LYS  28          3HG       LYS  28  -4.433  -8.049   1.661
  244   1HD   LYS  28          2HD       LYS  28  -6.575  -6.127   2.192
  245   2HD   LYS  28          3HD       LYS  28  -7.242  -7.690   1.782
  246   1HE   LYS  28          2HE       LYS  28  -4.944  -7.572   3.706
  247   2HE   LYS  28          3HE       LYS  28  -6.596  -7.214   4.254
  248   1HZ   LYS  28          1HZ       LYS  28  -5.787  -9.683   2.857
  249   2HZ   LYS  28          2HZ       LYS  28  -6.084  -9.563   4.476
  250   3HZ   LYS  28          3HZ       LYS  28  -7.301  -9.334   3.387
  251    H    VAL  29           H        VAL  29  -5.999  -3.597  -0.006
  252    HA   VAL  29           HA       VAL  29  -4.084  -1.955  -1.570
  253    HB   VAL  29           HB       VAL  29  -7.002  -2.019  -1.158
  254   1HG1  VAL  29          1HG       VAL  29  -5.387   0.437  -1.565
  255   2HG1  VAL  29          2HG       VAL  29  -6.956   0.295  -2.405
  256   3HG1  VAL  29          3HG       VAL  29  -6.877   0.087  -0.649
  257   1HG2  VAL  29          1HG       VAL  29  -6.394  -3.132  -3.122
  258   2HG2  VAL  29          2HG       VAL  29  -7.129  -1.578  -3.555
  259   3HG2  VAL  29          3HG       VAL  29  -5.351  -1.770  -3.594
  260    H    TYR  30           H        TYR  30  -2.809  -1.022  -0.204
  261    HA   TYR  30           HA       TYR  30  -3.711  -0.147   2.442
  262   1HB   TYR  30          2HB       TYR  30  -1.144  -1.072   1.157
  263   2HB   TYR  30          3HB       TYR  30  -1.042   0.116   2.414
  264    HD1  TYR  30           HD1      TYR  30  -3.218  -0.840   4.295
  265    HD2  TYR  30           HD2      TYR  30  -0.154  -2.925   2.189
  266    HE1  TYR  30           HE1      TYR  30  -3.403  -2.689   5.883
  267    HE2  TYR  30           HE2      TYR  30  -0.122  -4.689   3.962
  268    HH   TYR  30           HH       TYR  30  -1.032  -5.332   6.036
  269    H    ASP  31           H        ASP  31  -3.372   1.965   3.044
  270    HA   ASP  31           HA       ASP  31  -2.715   3.934   0.957
  271   1HB   ASP  31          2HB       ASP  31  -5.170   3.720   1.358
  272   2HB   ASP  31          3HB       ASP  31  -4.893   4.119   3.067
  273    H    LEU  32           H        LEU  32  -0.868   4.754   1.671
  274    HA   LEU  32           HA       LEU  32  -0.580   5.113   4.621
  275   1HB   LEU  32          2HB       LEU  32   1.959   4.902   3.215
  276   2HB   LEU  32          3HB       LEU  32   1.354   4.115   4.668
  277    HG   LEU  32           HG       LEU  32   0.714   3.070   1.902
  278   1HD1  LEU  32          1HD       LEU  32   2.903   2.356   3.882
  279   2HD1  LEU  32          2HD       LEU  32   2.537   1.516   2.337
  280   3HD1  LEU  32          3HD       LEU  32   3.102   3.181   2.320
  281   1HD2  LEU  32          1HD       LEU  32  -0.801   2.037   3.344
  282   2HD2  LEU  32          2HD       LEU  32   0.601   0.972   3.603
  283   3HD2  LEU  32          3HD       LEU  32   0.222   2.255   4.754
  284    H    THR  33           H        THR  33  -1.686   7.010   2.415
  285    HA   THR  33           HA       THR  33   0.153   8.899   1.704
  286    HB   THR  33           HB       THR  33  -2.676   9.369   2.820
  287    HG1  THR  33          1HG       THR  33  -3.142   8.057   1.279
  288   1HG2  THR  33          1HG       THR  33  -2.782  11.187   1.301
  289   2HG2  THR  33          2HG       THR  33  -1.306  11.416   2.255
  290   3HG2  THR  33          3HG       THR  33  -1.186  10.766   0.599
  291    H    LYS  34           H        LYS  34  -1.732   8.950   4.801
  292    HA   LYS  34           HA       LYS  34  -0.198  11.274   5.707
  293   1HB   LYS  34          2HB       LYS  34  -2.634  10.821   6.215
  294   2HB   LYS  34          3HB       LYS  34  -2.129   9.524   7.298
  295   1HG   LYS  34          2HG       LYS  34  -0.764  12.129   7.798
  296   2HG   LYS  34          3HG       LYS  34  -2.517  12.211   7.931
  297   1HD   LYS  34          2HD       LYS  34  -2.422  10.227   9.526
  298   2HD   LYS  34          3HD       LYS  34  -0.657  10.412   9.527
  299   1HE   LYS  34          2HE       LYS  34  -1.609  13.023   9.874
  300   2HE   LYS  34          3HE       LYS  34  -2.761  12.065  10.809
  301   1HZ   LYS  34          1HZ       LYS  34  -1.019  11.262  12.151
  302   2HZ   LYS  34          2HZ       LYS  34   0.157  11.781  11.123
  303   3HZ   LYS  34          3HZ       LYS  34  -0.714  12.873  11.990
  304    H    PHE  35           H        PHE  35   0.572   8.052   5.441
  305    HA   PHE  35           HA       PHE  35   2.153   7.886   7.917
  306   1HB   PHE  35          2HB       PHE  35   0.586   6.090   7.383
  307   2HB   PHE  35          3HB       PHE  35   1.328   5.880   5.826
  308    HD1  PHE  35          1HD       PHE  35   3.218   4.442   5.502
  309    HD2  PHE  35          2HD       PHE  35   2.238   5.824   9.465
  310    HE1  PHE  35          1HE       PHE  35   4.803   2.847   6.420
  311    HE2  PHE  35          2HE       PHE  35   3.993   4.344  10.391
  312    HZ   PHE  35           HZ       PHE  35   5.321   2.904   8.877
  313    H    LEU  36           H        LEU  36   2.389   8.483   4.541
  314    HA   LEU  36           HA       LEU  36   4.924   7.416   3.790
  315   1HB   LEU  36          2HB       LEU  36   3.323  10.032   3.212
  316   2HB   LEU  36          3HB       LEU  36   4.913   9.841   2.531
  317    HG   LEU  36           HG       LEU  36   2.420   8.252   1.874
  318   1HD1  LEU  36          1HD       LEU  36   3.398   9.144  -0.460
  319   2HD1  LEU  36          2HD       LEU  36   2.339  10.127   0.562
  320   3HD1  LEU  36          3HD       LEU  36   4.096  10.386   0.578
  321   1HD2  LEU  36          1HD       LEU  36   3.974   6.577   1.848
  322   2HD2  LEU  36          2HD       LEU  36   4.167   7.208   0.205
  323   3HD2  LEU  36          3HD       LEU  36   5.325   7.680   1.453
  324    H    GLU  37           H        GLU  37   4.644  10.799   4.979
  325    HA   GLU  37           HA       GLU  37   7.467  10.676   5.572
  326   1HB   GLU  37          2HB       GLU  37   5.754  12.662   5.011
  327   2HB   GLU  37          3HB       GLU  37   5.731  12.801   6.777
  328   1HG   GLU  37          2HG       GLU  37   8.138  13.149   6.823
  329   2HG   GLU  37          3HG       GLU  37   8.303  12.634   5.139
  330    H    GLU  38           H        GLU  38   4.789   9.438   7.197
  331    HA   GLU  38           HA       GLU  38   5.961   9.548   9.896
  332   1HB   GLU  38          2HB       GLU  38   3.346   9.533   8.814
  333   2HB   GLU  38          3HB       GLU  38   3.526   7.947   9.559
  334   1HG   GLU  38          2HG       GLU  38   4.123  10.592  10.948
  335   2HG   GLU  38          3HG       GLU  38   2.560   9.782  11.003
  336    H    HIS  39           HN       HIS  39   6.650   7.725   7.182
  337    HA   HIS  39           HA       HIS  39   6.516   5.139   8.462
  338   1HB   HIS  39          2HB       HIS  39   6.012   5.184   6.121
  339   2HB   HIS  39          3HB       HIS  39   7.479   6.062   5.758
  340    HD1  HIS  39           HND      HIS  39   9.135   4.713   4.659
  341    HD2  HIS  39           HD       HIS  39   6.812   2.397   7.218
  342    HE1  HIS  39           HE       HIS  39   9.992   2.368   4.400
  343    HA   PRO  40           HA       PRO  40  10.637   5.888  10.035
  344   1HB   PRO  40          2HB       PRO  40  11.081   3.439  11.249
  345   2HB   PRO  40          3HB       PRO  40  10.050   4.735  11.925
  346   1HG   PRO  40          2HG       PRO  40   9.224   2.251  10.464
  347   2HG   PRO  40          3HG       PRO  40   8.421   3.060  11.847
  348   1HD   PRO  40          2HD       PRO  40   7.673   3.281   9.176
  349   2HD   PRO  40          3HD       PRO  40   7.277   4.488  10.437
  350    H    GLY  41           H        GLY  41  11.553   6.143   7.993
  351   1HA   GLY  41          2HA       GLY  41  13.775   4.798   7.347
  352   2HA   GLY  41          3HA       GLY  41  12.557   3.815   6.508
  353    H    GLY  42           H        GLY  42  11.019   5.069   5.076
  354   1HA   GLY  42          2HA       GLY  42  11.951   7.655   4.097
  355   2HA   GLY  42          3HA       GLY  42  12.245   6.342   2.957
  356    H    GLU  43           H        GLU  43  10.270   8.779   3.178
  357    HA   GLU  43           HA       GLU  43   7.695   7.514   2.844
  358   1HB   GLU  43          2HB       GLU  43   6.980   9.758   2.609
  359   2HB   GLU  43          3HB       GLU  43   8.206   9.713   3.865
  360   1HG   GLU  43          2HG       GLU  43   9.065  11.509   2.936
  361   2HG   GLU  43          3HG       GLU  43   9.727  10.474   1.699
  362    H    GLU  44           H        GLU  44  10.154   8.786   0.931
  363    HA   GLU  44           HA       GLU  44   8.683   8.959  -1.588
  364   1HB   GLU  44          2HB       GLU  44  10.724  10.247  -1.445
  365   2HB   GLU  44          3HB       GLU  44  11.716   8.781  -1.319
  366   1HG   GLU  44          2HG       GLU  44  11.176   8.095  -3.570
  367   2HG   GLU  44          3HG       GLU  44   9.871   9.275  -3.698
  368    H    VAL  45           H        VAL  45  10.720   6.411  -0.176
  369    HA   VAL  45           HA       VAL  45  10.589   4.672  -2.449
  370    HB   VAL  45           HB       VAL  45  10.856   2.868  -0.677
  371   1HG1  VAL  45          1HG       VAL  45  12.984   5.032  -0.742
  372   2HG1  VAL  45          2HG       VAL  45  13.213   3.296  -0.412
  373   3HG1  VAL  45          3HG       VAL  45  12.707   3.835  -2.023
  374   1HG2  VAL  45          1HG       VAL  45  11.760   4.947   1.260
  375   2HG2  VAL  45          2HG       VAL  45  10.021   4.632   1.136
  376   3HG2  VAL  45          3HG       VAL  45  11.118   3.314   1.543
  377    H    LEU  46           H        LEU  46   8.135   5.384   0.326
  378    HA   LEU  46           HA       LEU  46   6.629   3.126  -0.668
  379   1HB   LEU  46          2HB       LEU  46   5.697   5.645   0.643
  380   2HB   LEU  46          3HB       LEU  46   4.841   4.089   0.630
  381    HG   LEU  46           HG       LEU  46   7.157   5.098   2.257
  382   1HD1  LEU  46          1HD       LEU  46   5.125   3.004   3.017
  383   2HD1  LEU  46          2HD       LEU  46   6.018   4.104   4.060
  384   3HD1  LEU  46          3HD       LEU  46   4.720   4.752   3.049
  385   1HD2  LEU  46          1HD       LEU  46   6.853   2.198   1.437
  386   2HD2  LEU  46          2HD       LEU  46   8.333   3.178   1.408
  387   3HD2  LEU  46          3HD       LEU  46   7.654   2.687   2.947
  388    H    ARG  47           H        ARG  47   7.061   6.423  -1.883
  389    HA   ARG  47           HA       ARG  47   4.742   6.278  -3.620
  390   1HB   ARG  47          2HB       ARG  47   6.287   8.340  -2.645
  391   2HB   ARG  47          3HB       ARG  47   6.846   8.251  -4.321
  392   1HG   ARG  47          2HG       ARG  47   4.559   8.554  -5.148
  393   2HG   ARG  47          3HG       ARG  47   3.902   8.292  -3.526
  394   1HD   ARG  47          2HD       ARG  47   3.769  10.586  -3.728
  395   2HD   ARG  47          3HD       ARG  47   5.252  10.351  -2.785
  396    HE   ARG  47           HE       ARG  47   5.938  10.443  -5.529
  397   1HH1  ARG  47          2HH       ARG  47   4.723  12.515  -2.960
  398   2HH1  ARG  47          1HH       ARG  47   5.225  14.007  -3.660
  399   1HH2  ARG  47          2HH       ARG  47   6.665  12.429  -6.520
  400   2HH2  ARG  47          1HH       ARG  47   6.377  13.948  -5.750
  401    H    GLU  48           H        GLU  48   8.063   5.177  -3.906
  402    HA   GLU  48           HA       GLU  48   8.184   5.133  -6.782
  403   1HB   GLU  48          2HB       GLU  48   9.695   3.991  -4.468
  404   2HB   GLU  48          3HB       GLU  48   9.807   3.060  -5.943
  405   1HG   GLU  48          2HG       GLU  48  10.164   5.930  -6.490
  406   2HG   GLU  48          3HG       GLU  48  11.285   5.363  -5.257
  407    H    GLN  49           H        GLN  49   6.536   3.104  -4.479
  408    HA   GLN  49           HA       GLN  49   5.850   1.182  -6.681
  409   1HB   GLN  49          2HB       GLN  49   5.913   0.869  -3.678
  410   2HB   GLN  49          3HB       GLN  49   5.461  -0.404  -4.847
  411   1HG   GLN  49          2HG       GLN  49   8.214   0.913  -4.735
  412   2HG   GLN  49          3HG       GLN  49   7.776  -0.557  -3.887
  413   1HE2  GLN  49          1HE       GLN  49   9.829  -0.881  -5.545
  414   2HE2  GLN  49          2HE       GLN  49   9.343  -1.673  -7.034
  415    H    ALA  50           H        ALA  50   4.675   3.855  -5.313
  416    HA   ALA  50           HA       ALA  50   2.195   3.152  -4.211
  417   1HB   ALA  50          1HB       ALA  50   2.912   5.377  -3.941
  418   2HB   ALA  50          2HB       ALA  50   3.079   5.635  -5.702
  419   3HB   ALA  50          3HB       ALA  50   1.471   5.469  -4.949
  420    H    GLY  51           H        GLY  51   0.150   2.807  -5.055
  421   1HA   GLY  51          2HA       GLY  51  -1.406   2.029  -6.538
  422   2HA   GLY  51          3HA       GLY  51  -0.599   3.022  -7.742
  423    H    GLY  52           H        GLY  52   1.385   0.618  -6.124
  424   1HA   GLY  52          2HA       GLY  52   1.244  -1.204  -8.447
  425   2HA   GLY  52          3HA       GLY  52   2.763  -0.422  -7.940
  426    H    ASP  53           H        ASP  53   3.044  -2.986  -7.832
  427    HA   ASP  53           HA       ASP  53   1.968  -4.132  -5.352
  428   1HB   ASP  53          2HB       ASP  53   2.889  -5.161  -7.923
  429   2HB   ASP  53          3HB       ASP  53   3.693  -5.989  -6.590
  430    H    ALA  54           H        ALA  54   3.012  -3.025  -3.686
  431    HA   ALA  54           HA       ALA  54   5.979  -3.094  -3.698
  432   1HB   ALA  54          1HB       ALA  54   5.490  -2.020  -1.378
  433   2HB   ALA  54          2HB       ALA  54   5.291  -1.060  -2.825
  434   3HB   ALA  54          3HB       ALA  54   3.863  -1.718  -2.051
  435    H    THR  55           H        THR  55   3.436  -5.238  -2.987
  436    HA   THR  55           HA       THR  55   4.192  -6.330  -0.534
  437    HB   THR  55           HB       THR  55   2.205  -6.935  -1.895
  438    HG1  THR  55          1HG       THR  55   2.250  -9.031  -1.007
  439   1HG2  THR  55          1HG       THR  55   2.258  -8.681  -3.388
  440   2HG2  THR  55          2HG       THR  55   3.358  -7.389  -3.956
  441   3HG2  THR  55          3HG       THR  55   4.039  -8.867  -3.206
  442    H    GLU  56           H        GLU  56   5.683  -6.809  -3.735
  443    HA   GLU  56           HA       GLU  56   7.430  -8.880  -2.824
  444   1HB   GLU  56          2HB       GLU  56   7.449  -6.952  -5.167
  445   2HB   GLU  56          3HB       GLU  56   8.854  -7.968  -4.818
  446   1HG   GLU  56          2HG       GLU  56   6.944  -9.882  -4.648
  447   2HG   GLU  56          3HG       GLU  56   6.093  -8.773  -5.719
  448    H    ASN  57           H        ASN  57   7.745  -5.299  -2.691
  449    HA   ASN  57           HA       ASN  57  10.541  -5.429  -1.890
  450   1HB   ASN  57          2HB       ASN  57   8.385  -3.287  -1.938
  451   2HB   ASN  57          3HB       ASN  57   9.787  -3.043  -0.908
  452   1HD2  ASN  57          1HD       ASN  57  12.007  -3.722  -2.119
  453   2HD2  ASN  57          2HD       ASN  57  12.110  -3.002  -3.714
  454    H    PHE  58           H        PHE  58   7.590  -4.597  -0.215
  455    HA   PHE  58           HA       PHE  58   8.427  -4.651   2.461
  456   1HB   PHE  58          2HB       PHE  58   6.116  -4.191   1.557
  457   2HB   PHE  58          3HB       PHE  58   5.824  -5.927   1.584
  458    HD1  PHE  58          1HD       PHE  58   5.678  -2.884   3.472
  459    HD2  PHE  58          2HD       PHE  58   6.270  -7.127   3.919
  460    HE1  PHE  58          1HE       PHE  58   5.018  -2.733   5.867
  461    HE2  PHE  58          2HE       PHE  58   5.787  -6.944   6.277
  462    HZ   PHE  58           HZ       PHE  58   5.060  -4.746   7.291
  463    H    GLU  59           H        GLU  59   7.623  -7.658   0.557
  464    HA   GLU  59           HA       GLU  59   8.231  -9.411   2.771
  465   1HB   GLU  59          2HB       GLU  59   7.616  -9.726  -0.185
  466   2HB   GLU  59          3HB       GLU  59   8.108 -11.084   0.782
  467   1HG   GLU  59          2HG       GLU  59   5.932  -9.510   2.045
  468   2HG   GLU  59          3HG       GLU  59   5.494 -10.172   0.472
  469    H    ASP  60           H        ASP  60  10.063  -8.058   0.022
  470    HA   ASP  60           HA       ASP  60  12.094  -9.962  -0.227
  471   1HB   ASP  60          2HB       ASP  60  11.602  -7.434  -1.330
  472   2HB   ASP  60          3HB       ASP  60  13.000  -7.107  -0.364
  473    H    VAL  61           H        VAL  61  11.911  -7.062   1.768
  474    HA   VAL  61           HA       VAL  61  14.319  -7.779   3.283
  475    HB   VAL  61           HB       VAL  61  13.749  -5.450   2.709
  476   1HG1  VAL  61          1HG       VAL  61  11.535  -5.624   4.793
  477   2HG1  VAL  61          2HG       VAL  61  12.027  -4.202   3.860
  478   3HG1  VAL  61          3HG       VAL  61  11.259  -5.567   3.038
  479   1HG2  VAL  61          1HG       VAL  61  14.461  -4.486   4.771
  480   2HG2  VAL  61          2HG       VAL  61  13.780  -5.827   5.722
  481   3HG2  VAL  61          3HG       VAL  61  15.190  -6.102   4.678
  482    H    GLY  62           H        GLY  62  10.735  -7.814   3.833
  483   1HA   GLY  62          2HA       GLY  62   9.955  -9.882   4.858
  484   2HA   GLY  62          3HA       GLY  62  11.244  -9.718   6.064
  485    H    HIS  63           HN       HIS  63  11.188  -6.984   6.516
  486    HA   HIS  63           HA       HIS  63  10.413  -5.548   8.017
  487   1HB   HIS  63          2HB       HIS  63   7.964  -6.217   6.469
  488   2HB   HIS  63          3HB       HIS  63   7.706  -5.324   7.945
  489    HD1  HIS  63           HND      HIS  63   9.304  -4.946   4.515
  490    HD2  HIS  63           HD       HIS  63   8.082  -2.739   7.870
  491    HE1  HIS  63           HE       HIS  63   9.374  -2.519   3.811
  492    H    SER  64           H        SER  64   9.143  -5.326  10.142
  493    HA   SER  64           HA       SER  64   9.174  -7.856  11.559
  494   1HB   SER  64          2HB       SER  64   8.207  -5.087  12.331
  495   2HB   SER  64          3HB       SER  64   8.382  -6.446  13.458
  496    HG   SER  64           HG       SER  64  10.253  -4.948  13.219
  497    H    THR  65           H        THR  65   7.275  -8.804  12.735
  498    HA   THR  65           HA       THR  65   4.988  -8.930  10.961
  499    HB   THR  65           HB       THR  65   5.789 -10.253  13.560
  500    HG1  THR  65          1HG       THR  65   6.781 -11.016  11.727
  501   1HG2  THR  65          1HG       THR  65   3.354 -10.060  13.633
  502   2HG2  THR  65          2HG       THR  65   3.237 -10.668  11.961
  503   3HG2  THR  65          3HG       THR  65   3.835 -11.723  13.272
  504    H    ASP  66           H        ASP  66   5.607  -7.457  14.238
  505    HA   ASP  66           HA       ASP  66   3.015  -6.405  14.567
  506   1HB   ASP  66          2HB       ASP  66   5.799  -5.554  15.379
  507   2HB   ASP  66          3HB       ASP  66   4.454  -4.435  15.621
  508    H    ALA  67           H        ALA  67   5.501  -5.628  12.160
  509    HA   ALA  67           HA       ALA  67   4.309  -3.020  11.609
  510   1HB   ALA  67          1HB       ALA  67   6.759  -3.324  11.376
  511   2HB   ALA  67          2HB       ALA  67   6.466  -4.453  10.032
  512   3HB   ALA  67          3HB       ALA  67   5.951  -2.772   9.895
  513    H    ARG  68           H        ARG  68   4.301  -6.429  10.357
  514    HA   ARG  68           HA       ARG  68   2.761  -5.968   8.092
  515   1HB   ARG  68          2HB       ARG  68   2.736  -8.378   9.848
  516   2HB   ARG  68          3HB       ARG  68   1.936  -8.187   8.264
  517   1HG   ARG  68          2HG       ARG  68   4.187  -7.089   7.509
  518   2HG   ARG  68          3HG       ARG  68   4.907  -7.882   8.897
  519   1HD   ARG  68          2HD       ARG  68   3.355  -9.172   6.659
  520   2HD   ARG  68          3HD       ARG  68   5.138  -9.063   6.773
  521    HE   ARG  68           HE       ARG  68   4.549 -10.172   9.131
  522   1HH1  ARG  68          2HH       ARG  68   3.711 -11.024   5.811
  523   2HH1  ARG  68          1HH       ARG  68   3.492 -12.697   6.104
  524   1HH2  ARG  68          2HH       ARG  68   4.381 -12.378   9.582
  525   2HH2  ARG  68          1HH       ARG  68   3.892 -13.514   8.366
  526    H    GLU  69           H        GLU  69   1.783  -5.942  11.605
  527    HA   GLU  69           HA       GLU  69  -1.114  -6.175  11.066
  528   1HB   GLU  69          2HB       GLU  69   0.637  -6.034  13.564
  529   2HB   GLU  69          3HB       GLU  69  -1.087  -5.710  13.675
  530   1HG   GLU  69          2HG       GLU  69  -0.886  -8.055  12.123
  531   2HG   GLU  69          3HG       GLU  69   0.252  -8.276  13.455
  532    H    LEU  70           H        LEU  70   1.013  -3.482  12.441
  533    HA   LEU  70           HA       LEU  70  -1.250  -1.891  12.939
  534   1HB   LEU  70          2HB       LEU  70   0.250  -0.407  13.635
  535   2HB   LEU  70          3HB       LEU  70   1.332  -1.750  13.530
  536    HG   LEU  70           HG       LEU  70   2.442   0.155  12.795
  537   1HD1  LEU  70          1HD       LEU  70   2.431  -2.207  11.475
  538   2HD1  LEU  70          2HD       LEU  70   2.115  -1.097  10.141
  539   3HD1  LEU  70          3HD       LEU  70   3.556  -0.868  11.124
  540   1HD2  LEU  70          1HD       LEU  70   0.182   1.130  11.969
  541   2HD2  LEU  70          2HD       LEU  70   1.738   1.664  11.263
  542   3HD2  LEU  70          3HD       LEU  70   0.710   0.509  10.398
  543    H    SER  71           H        SER  71   0.622  -2.563  10.075
  544    HA   SER  71           HA       SER  71  -0.222  -0.635   8.292
  545   1HB   SER  71          2HB       SER  71  -0.064  -3.629   7.763
  546   2HB   SER  71          3HB       SER  71  -0.019  -2.336   6.529
  547    HG   SER  71           HG       SER  71   2.004  -3.249   7.964
  548    H    LYS  72           H        LYS  72  -2.214  -3.193   9.668
  549    HA   LYS  72           HA       LYS  72  -4.252  -3.215   7.733
  550   1HB   LYS  72          2HB       LYS  72  -3.657  -4.710   9.811
  551   2HB   LYS  72          3HB       LYS  72  -4.765  -3.642  10.675
  552   1HG   LYS  72          2HG       LYS  72  -6.517  -4.814   9.858
  553   2HG   LYS  72          3HG       LYS  72  -6.048  -4.433   8.195
  554   1HD   LYS  72          2HD       LYS  72  -4.647  -6.351   8.012
  555   2HD   LYS  72          3HD       LYS  72  -4.662  -6.657   9.753
  556   1HE   LYS  72          2HE       LYS  72  -7.177  -6.804   8.051
  557   2HE   LYS  72          3HE       LYS  72  -6.103  -8.186   8.343
  558   1HZ   LYS  72          1HZ       LYS  72  -6.417  -7.661  10.770
  559   2HZ   LYS  72          2HZ       LYS  72  -7.684  -6.710  10.329
  560   3HZ   LYS  72          3HZ       LYS  72  -7.705  -8.322   9.994
  561    H    THR  73           H        THR  73  -3.530  -0.832  10.183
  562    HA   THR  73           HA       THR  73  -6.006   0.670  10.041
  563    HB   THR  73           HB       THR  73  -4.127   0.409  11.902
  564    HG1  THR  73          1HG       THR  73  -5.577   1.590  12.729
  565   1HG2  THR  73          1HG       THR  73  -3.302   3.095  10.795
  566   2HG2  THR  73          2HG       THR  73  -2.518   2.102  12.035
  567   3HG2  THR  73          3HG       THR  73  -2.432   1.625  10.329
  568    H    PHE  74           H        PHE  74  -3.928   0.144   7.697
  569    HA   PHE  74           HA       PHE  74  -4.073   2.818   6.435
  570   1HB   PHE  74          2HB       PHE  74  -2.051   0.634   5.913
  571   2HB   PHE  74          3HB       PHE  74  -2.114   2.199   5.193
  572    HD1  PHE  74          1HD       PHE  74  -2.784   3.684   7.935
  573    HD2  PHE  74          2HD       PHE  74   0.252   0.937   6.551
  574    HE1  PHE  74          1HE       PHE  74  -1.279   4.435   9.737
  575    HE2  PHE  74          2HE       PHE  74   1.818   1.902   8.223
  576    HZ   PHE  74           HZ       PHE  74   1.014   3.476   9.876
  577    H    ILE  75           H        ILE  75  -5.275  -0.509   6.386
  578    HA   ILE  75           HA       ILE  75  -5.448  -0.639   3.531
  579    HB   ILE  75           HB       ILE  75  -5.769  -2.348   5.747
  580   1HG1  ILE  75          2HG       ILE  75  -6.394  -3.090   2.897
  581   2HG1  ILE  75          3HG       ILE  75  -4.770  -2.674   3.379
  582   1HG2  ILE  75          1HG       ILE  75  -7.853  -3.539   5.365
  583   2HG2  ILE  75          2HG       ILE  75  -8.183  -1.868   5.827
  584   3HG2  ILE  75          3HG       ILE  75  -8.328  -2.366   4.122
  585   1HD1  ILE  75          1HD       ILE  75  -5.092  -4.445   5.293
  586   2HD1  ILE  75          2HD       ILE  75  -6.403  -5.042   4.257
  587   3HD1  ILE  75          3HD       ILE  75  -4.729  -4.979   3.649
  588    H    ILE  76           H        ILE  76  -6.880   0.241   2.203
  589    HA   ILE  76           HA       ILE  76  -9.341   1.484   3.398
  590    HB   ILE  76           HB       ILE  76  -9.311   3.097   1.537
  591   1HG1  ILE  76          2HG       ILE  76  -6.943   3.307   0.351
  592   2HG1  ILE  76          3HG       ILE  76  -6.760   1.629   0.735
  593   1HG2  ILE  76          1HG       ILE  76  -7.443   4.429   2.341
  594   2HG2  ILE  76          2HG       ILE  76  -8.257   3.603   3.694
  595   3HG2  ILE  76          3HG       ILE  76  -6.723   2.960   3.044
  596   1HD1  ILE  76          1HD       ILE  76  -8.852   1.245  -0.611
  597   2HD1  ILE  76          2HD       ILE  76  -9.030   3.019  -0.742
  598   3HD1  ILE  76          3HD       ILE  76  -7.665   2.193  -1.506
  599    H    GLY  77           H        GLY  77  -8.246  -1.161   1.634
  600   1HA   GLY  77          2HA       GLY  77 -10.789  -1.877   0.586
  601   2HA   GLY  77          3HA       GLY  77  -9.800  -1.098  -0.655
  602    H    GLU  78           H        GLU  78 -10.090  -3.372  -1.539
  603    HA   GLU  78           HA       GLU  78  -7.592  -4.754  -1.098
  604   1HB   GLU  78          2HB       GLU  78  -9.066  -5.803   0.518
  605   2HB   GLU  78          3HB       GLU  78 -10.309  -6.093  -0.687
  606   1HG   GLU  78          2HG       GLU  78  -7.565  -7.245  -1.160
  607   2HG   GLU  78          3HG       GLU  78  -8.484  -7.880   0.199
  608    H    LEU  79           H        LEU  79  -7.142  -6.132  -3.020
  609    HA   LEU  79           HA       LEU  79  -7.897  -5.114  -5.512
  610   1HB   LEU  79          2HB       LEU  79  -6.417  -7.419  -4.326
  611   2HB   LEU  79          3HB       LEU  79  -7.205  -7.803  -5.843
  612    HG   LEU  79           HG       LEU  79  -6.103  -6.130  -7.008
  613   1HD1  LEU  79          1HD       LEU  79  -5.097  -5.045  -4.373
  614   2HD1  LEU  79          2HD       LEU  79  -4.363  -4.619  -5.947
  615   3HD1  LEU  79          3HD       LEU  79  -6.038  -4.200  -5.624
  616   1HD2  LEU  79          1HD       LEU  79  -3.724  -6.869  -5.384
  617   2HD2  LEU  79          2HD       LEU  79  -4.720  -8.231  -5.959
  618   3HD2  LEU  79          3HD       LEU  79  -4.008  -7.082  -7.107
  619    H    HIS  80           H        HIS  80  -9.659  -5.281  -6.630
  620    HA   HIS  80           HA       HIS  80 -12.039  -6.357  -5.573
  621   1HB   HIS  80          2HB       HIS  80 -11.112  -5.140  -8.091
  622   2HB   HIS  80          3HB       HIS  80 -12.348  -6.355  -8.385
  623    HD1  HIS  80           HD1      HIS  80 -14.179  -4.534  -9.019
  624    HD2  HIS  80           HD2      HIS  80 -12.291  -4.030  -5.299
  625    HE1  HIS  80           HE1      HIS  80 -15.402  -2.611  -7.829
  626    HA   PRO  81           HA       PRO  81 -11.897 -10.554  -6.381
  627   1HB   PRO  81          2HB       PRO  81 -14.505 -11.234  -7.049
  628   2HB   PRO  81          3HB       PRO  81 -13.966 -10.768  -5.409
  629   1HG   PRO  81          2HG       PRO  81 -15.438  -9.111  -7.439
  630   2HG   PRO  81          3HG       PRO  81 -15.569  -9.093  -5.653
  631   1HD   PRO  81          2HD       PRO  81 -14.111  -7.280  -7.220
  632   2HD   PRO  81          3HD       PRO  81 -13.851  -7.555  -5.480
  633    H    ASP  82           H        ASP  82 -13.100  -8.535  -9.009
  634    HA   ASP  82           HA       ASP  82 -12.900 -10.540 -11.075
  635   1HB   ASP  82          2HB       ASP  82 -12.888  -7.495 -11.154
  636   2HB   ASP  82          3HB       ASP  82 -12.904  -8.528 -12.590
  637    H    ASP  83           H        ASP  83 -10.575  -8.795  -9.226
  638    HA   ASP  83           HA       ASP  83  -8.507  -8.566 -11.183
  639   1HB   ASP  83          2HB       ASP  83  -8.176  -8.455  -8.163
  640   2HB   ASP  83          3HB       ASP  83  -7.131  -7.784  -9.381
  641    H    ARG  84           H        ARG  84  -9.802 -11.251  -9.742
  642    HA   ARG  84           HA       ARG  84  -7.439 -12.712  -9.031
  643   1HB   ARG  84          2HB       ARG  84  -9.672 -13.280  -8.216
  644   2HB   ARG  84          3HB       ARG  84 -10.254 -13.551  -9.860
  645   1HG   ARG  84          2HG       ARG  84  -8.754 -15.467 -10.143
  646   2HG   ARG  84          3HG       ARG  84  -7.994 -15.165  -8.576
  647   1HD   ARG  84          2HD       ARG  84  -9.688 -16.131  -7.409
  648   2HD   ARG  84          3HD       ARG  84 -10.950 -15.448  -8.432
  649    HE   ARG  84           HE       ARG  84  -9.757 -18.058  -8.626
  650   1HH1  ARG  84          2HH       ARG  84 -11.230 -15.493 -10.525
  651   2HH1  ARG  84          1HH       ARG  84 -11.704 -16.498 -11.856
  652   1HH2  ARG  84          2HH       ARG  84 -10.430 -19.467 -10.370
  653   2HH2  ARG  84          1HH       ARG  84 -11.261 -18.826 -11.737
  654    H    SER  85           H        SER  85  -9.364 -12.519 -12.044
  655    HA   SER  85           HA       SER  85  -7.168 -13.120 -13.737
  656   1HB   SER  85          2HB       SER  85  -7.878 -15.442 -12.417
  657   2HB   SER  85          3HB       SER  85  -8.898 -15.559 -13.837
  658    HG   SER  85           HG       SER  85  -6.090 -15.369 -13.633
  659    H    LYS  86           H        LYS  86  -9.306 -11.187 -13.742
  660    HA   LYS  86           HA       LYS  86 -10.402 -11.901 -16.380
  661   1HB   LYS  86          2HB       LYS  86 -12.079 -11.810 -13.947
  662   2HB   LYS  86          3HB       LYS  86 -12.612 -10.660 -15.186
  663   1HG   LYS  86          2HG       LYS  86 -12.405 -12.537 -16.886
  664   2HG   LYS  86          3HG       LYS  86 -12.257 -13.658 -15.530
  665   1HD   LYS  86          2HD       LYS  86 -14.593 -11.717 -15.557
  666   2HD   LYS  86          3HD       LYS  86 -14.575 -13.030 -16.726
  667   1HE   LYS  86          2HE       LYS  86 -15.573 -14.240 -15.138
  668   2HE   LYS  86          3HE       LYS  86 -13.931 -14.471 -14.544
  669   1HZ   LYS  86          1HZ       LYS  86 -14.788 -13.652 -12.653
  670   2HZ   LYS  86          2HZ       LYS  86 -14.732 -12.157 -13.335
  671   3HZ   LYS  86          3HZ       LYS  86 -16.115 -13.027 -13.379
  672    H    LEU  87           H        LEU  87 -10.983  -9.289 -14.007
  673    HA   LEU  87           HA       LEU  87 -11.009  -7.024 -14.280
  674   1HB   LEU  87          2HB       LEU  87  -8.474  -7.724 -15.802
  675   2HB   LEU  87          3HB       LEU  87  -8.879  -6.098 -15.247
  676    HG   LEU  87           HG       LEU  87  -8.779  -8.453 -13.332
  677   1HD1  LEU  87          1HD       LEU  87  -6.544  -7.539 -14.736
  678   2HD1  LEU  87          2HD       LEU  87  -6.454  -6.706 -13.182
  679   3HD1  LEU  87          3HD       LEU  87  -6.567  -8.472 -13.231
  680   1HD2  LEU  87          1HD       LEU  87  -8.730  -5.413 -13.064
  681   2HD2  LEU  87          2HD       LEU  87  -9.995  -6.522 -12.499
  682   3HD2  LEU  87          3HD       LEU  87  -8.429  -6.530 -11.725
  683    H    SER  88           H        SER  88 -13.009  -7.440 -15.702
  684    HA   SER  88           HA       SER  88 -12.729  -5.570 -17.870
  685   1HB   SER  88          2HB       SER  88 -11.965  -7.877 -18.802
  686   2HB   SER  88          3HB       SER  88 -13.682  -8.325 -18.720
  687    HG   SER  88           HG       SER  88 -12.993  -7.374 -20.741
  688    H    LYS  89           H        LYS  89 -14.509  -4.332 -17.178
  689    HA   LYS  89           HA       LYS  89 -17.102  -5.724 -17.104
  690   1HB   LYS  89          2HB       LYS  89 -16.327  -5.713 -14.772
  691   2HB   LYS  89          3HB       LYS  89 -16.041  -3.972 -14.859
  692   1HG   LYS  89          2HG       LYS  89 -18.764  -4.381 -15.680
  693   2HG   LYS  89          3HG       LYS  89 -18.501  -5.431 -14.287
  694   1HD   LYS  89          2HD       LYS  89 -17.514  -3.429 -13.074
  695   2HD   LYS  89          3HD       LYS  89 -17.998  -2.433 -14.471
  696   1HE   LYS  89          2HE       LYS  89 -20.366  -3.356 -14.129
  697   2HE   LYS  89          3HE       LYS  89 -19.783  -4.051 -12.604
  698   1HZ   LYS  89          1HZ       LYS  89 -19.124  -1.748 -11.995
  699   2HZ   LYS  89          2HZ       LYS  89 -19.893  -1.203 -13.346
  700   3HZ   LYS  89          3HZ       LYS  89 -20.752  -1.950 -12.157
  701    HA   PRO  90           HA       PRO  90 -17.638  -1.866 -19.376
  702   1HB   PRO  90          2HB       PRO  90 -20.198  -2.338 -20.323
  703   2HB   PRO  90          3HB       PRO  90 -18.716  -3.054 -21.013
  704   1HG   PRO  90          2HG       PRO  90 -20.744  -4.317 -19.191
  705   2HG   PRO  90          3HG       PRO  90 -19.802  -5.051 -20.527
  706   1HD   PRO  90          2HD       PRO  90 -19.204  -5.236 -17.788
  707   2HD   PRO  90          3HD       PRO  90 -18.049  -5.548 -19.119
  708    H    MET  91           H        MET  91 -19.802  -0.346 -19.513
  709    HA   MET  91           HA       MET  91 -20.413   0.354 -16.688
  710   1HB   MET  91          2HB       MET  91 -20.703   2.631 -17.490
  711   2HB   MET  91          3HB       MET  91 -19.114   2.043 -18.003
  712   1HG   MET  91          2HG       MET  91 -20.041   1.548 -20.260
  713   2HG   MET  91          3HG       MET  91 -21.624   2.115 -19.733
  714   1HE   MET  91          1HE       MET  91 -21.518   5.238 -21.588
  715   2HE   MET  91          2HE       MET  91 -22.038   3.537 -21.543
  716   3HE   MET  91          3HE       MET  91 -22.428   4.624 -20.188
  717    H    GLU  92           H        GLU  92 -22.641   1.379 -16.419
  718    HA   GLU  92           HA       GLU  92 -24.671   0.826 -18.414
  719   1HB   GLU  92          2HB       GLU  92 -24.054  -1.086 -16.298
  720   2HB   GLU  92          3HB       GLU  92 -25.639  -0.390 -15.990
  721   1HG   GLU  92          2HG       GLU  92 -24.932  -1.342 -18.787
  722   2HG   GLU  92          3HG       GLU  92 -25.341  -2.523 -17.542
  723    H    THR  93           H        THR  93 -25.785   2.744 -18.304
  724    HA   THR  93           HA       THR  93 -25.609   4.324 -15.785
  725    HB   THR  93           HB       THR  93 -24.827   5.471 -17.833
  726    HG1  THR  93          1HG       THR  93 -27.292   6.534 -16.956
  727   1HG2  THR  93          1HG       THR  93 -26.417   6.190 -19.568
  728   2HG2  THR  93          2HG       THR  93 -26.246   4.427 -19.566
  729   3HG2  THR  93          3HG       THR  93 -27.689   5.183 -18.862
  730    H    LEU  94           H        LEU  94 -27.524   5.021 -14.830
  731    HA   LEU  94           HA       LEU  94 -29.676   5.021 -14.172
  732   1HB   LEU  94          2HB       LEU  94 -29.935   5.925 -16.568
  733   2HB   LEU  94          3HB       LEU  94 -30.500   4.318 -17.003
  734    HG   LEU  94           HG       LEU  94 -31.915   5.306 -14.622
  735   1HD1  LEU  94          1HD       LEU  94 -31.977   7.042 -17.123
  736   2HD1  LEU  94          2HD       LEU  94 -33.101   7.170 -15.753
  737   3HD1  LEU  94          3HD       LEU  94 -31.381   7.514 -15.512
  738   1HD2  LEU  94          1HD       LEU  94 -33.913   5.020 -16.195
  739   2HD2  LEU  94          2HD       LEU  94 -32.759   4.514 -17.451
  740   3HD2  LEU  94          3HD       LEU  94 -32.931   3.573 -15.959
  741    HHA  HEM  95          MHG       HEM  95  11.986  -0.072   8.808
  742    HHB  HEM  95          MHD       HEM  95   5.630  -0.120   9.374
  743    HHC  HEM  95          MHA       HEM  95   5.050  -0.358   2.980
  744    HHD  HEM  95          MHB       HEM  95  11.438   0.131   2.367
  745   1HMA  HEM  95          1HM       HEM  95   7.991  -0.838  12.230
  746   2HMA  HEM  95          2HM       HEM  95   7.255   0.714  11.775
  747   3HMA  HEM  95          3HM       HEM  95   6.500  -0.818  11.307
  748   1HAA  HEM  95          1HP       HEM  95  10.127  -0.702  12.053
  749   2HAA  HEM  95          2HP       HEM  95  11.320   0.193  11.143
  750   1HBA  HEM  95          3HP       HEM  95  11.489  -2.473  11.822
  751   2HBA  HEM  95          4HP       HEM  95  12.432  -1.687  10.567
  752   1HMB  HEM  95          1HM       HEM  95   3.488  -1.093   8.524
  753   2HMB  HEM  95          2HM       HEM  95   3.508   0.669   8.716
  754   3HMB  HEM  95          3HM       HEM  95   2.373  -0.088   7.558
  755    HAB  HEM  95          AHT       HEM  95   2.918   0.140   3.896
  756   1HBB  HEM  95          CHV       HEM  95   2.417  -2.208   5.576
  757   2HBB  HEM  95          THV       HEM  95   1.124  -1.238   4.665
  758   1HMC  HEM  95          1HM       HEM  95   6.060  -1.622   0.842
  759   2HMC  HEM  95          2HM       HEM  95   5.640   0.099   0.686
  760   3HMC  HEM  95          3HM       HEM  95   6.909  -0.609  -0.333
  761    HAC  HEM  95          AHT       HEM  95  10.595  -0.399   0.271
  762   1HBC  HEM  95          THV       HEM  95   9.794   0.877  -1.593
  763   2HBC  HEM  95          CHV       HEM  95   8.183   1.205  -0.720
  764   1HMD  HEM  95          1HM       HEM  95  13.370   1.083   2.962
  765   2HMD  HEM  95          2HM       HEM  95  14.578   1.059   4.225
  766   3HMD  HEM  95          3HM       HEM  95  14.127  -0.464   3.405
  767   1HAD  HEM  95          1HP       HEM  95  13.900  -0.098   7.981
  768   2HAD  HEM  95          2HP       HEM  95  14.324   1.360   7.101
  769   1HBD  HEM  95          3HP       HEM  95  15.834   0.173   5.715
  770   2HBD  HEM  95          4HP       HEM  95  14.996  -1.372   5.968
  Start of MODEL    7
    1   1H    ASP   1           H1       ASP   1 -17.355   0.337   8.889
    2   2H    ASP   1           H2       ASP   1 -18.889   0.457   9.422
    3   3H    ASP   1           H3       ASP   1 -17.659   0.270  10.520
    4    HA   ASP   1           HA       ASP   1 -17.452  -1.938  10.179
    5   1HB   ASP   1          2HB       ASP   1 -19.624  -2.986   9.780
    6   2HB   ASP   1          3HB       ASP   1 -19.866  -1.519  10.746
    7    H    LYS   2           H        LYS   2 -17.483  -3.798   8.511
    8    HA   LYS   2           HA       LYS   2 -16.678  -4.585   6.517
    9   1HB   LYS   2          2HB       LYS   2 -18.842  -2.652   5.665
   10   2HB   LYS   2          3HB       LYS   2 -17.916  -3.578   4.478
   11   1HG   LYS   2          2HG       LYS   2 -18.512  -5.687   5.632
   12   2HG   LYS   2          3HG       LYS   2 -19.534  -4.782   6.768
   13   1HD   LYS   2          2HD       LYS   2 -19.857  -4.681   3.740
   14   2HD   LYS   2          3HD       LYS   2 -20.732  -5.830   4.770
   15   1HE   LYS   2          2HE       LYS   2 -21.749  -3.957   6.038
   16   2HE   LYS   2          3HE       LYS   2 -20.822  -2.795   5.099
   17   1HZ   LYS   2          1HZ       LYS   2 -23.133  -4.352   4.288
   18   2HZ   LYS   2          2HZ       LYS   2 -22.730  -2.795   3.936
   19   3HZ   LYS   2          3HZ       LYS   2 -22.003  -4.034   3.133
   20    H    ASP   3           H        ASP   3 -14.512  -3.822   6.867
   21    HA   ASP   3           HA       ASP   3 -13.688  -1.288   5.698
   22   1HB   ASP   3          2HB       ASP   3 -12.736  -2.388   7.774
   23   2HB   ASP   3          3HB       ASP   3 -11.984  -3.593   6.724
   24    H    VAL   4           H        VAL   4 -14.878  -2.353   3.565
   25    HA   VAL   4           HA       VAL   4 -12.682  -3.373   1.909
   26    HB   VAL   4           HB       VAL   4 -15.341  -4.725   1.603
   27   1HG1  VAL   4          1HG       VAL   4 -13.996  -6.304   0.496
   28   2HG1  VAL   4          2HG       VAL   4 -13.278  -4.742   0.056
   29   3HG1  VAL   4          3HG       VAL   4 -12.518  -5.751   1.308
   30   1HG2  VAL   4          1HG       VAL   4 -13.202  -5.582   3.599
   31   2HG2  VAL   4          2HG       VAL   4 -14.887  -5.144   3.986
   32   3HG2  VAL   4          3HG       VAL   4 -14.543  -6.593   3.025
   33    H    LYS   5           H        LYS   5 -12.695  -1.227   0.985
   34    HA   LYS   5           HA       LYS   5 -15.188  -0.352  -0.191
   35   1HB   LYS   5          2HB       LYS   5 -13.311   1.085   0.820
   36   2HB   LYS   5          3HB       LYS   5 -12.457   0.838  -0.706
   37   1HG   LYS   5          2HG       LYS   5 -13.911   2.251  -1.854
   38   2HG   LYS   5          3HG       LYS   5 -15.315   1.598  -1.039
   39   1HD   LYS   5          2HD       LYS   5 -14.685   2.870   1.035
   40   2HD   LYS   5          3HD       LYS   5 -13.465   3.735   0.086
   41   1HE   LYS   5          2HE       LYS   5 -16.348   3.461  -0.837
   42   2HE   LYS   5          3HE       LYS   5 -15.914   4.714   0.331
   43   1HZ   LYS   5          1HZ       LYS   5 -15.864   5.196  -2.204
   44   2HZ   LYS   5          2HZ       LYS   5 -14.708   5.837  -1.223
   45   3HZ   LYS   5          3HZ       LYS   5 -14.355   4.524  -2.131
   46    H    TYR   6           H        TYR   6 -13.363  -2.809  -1.219
   47    HA   TYR   6           HA       TYR   6 -12.645  -3.707  -3.156
   48   1HB   TYR   6          2HB       TYR   6 -15.556  -3.025  -3.277
   49   2HB   TYR   6          3HB       TYR   6 -14.804  -3.730  -4.687
   50    HD1  TYR   6           HD1      TYR   6 -16.167  -4.490  -1.426
   51    HD2  TYR   6           HD2      TYR   6 -13.506  -5.889  -4.511
   52    HE1  TYR   6           HE1      TYR   6 -16.516  -6.836  -0.675
   53    HE2  TYR   6           HE2      TYR   6 -13.847  -8.235  -3.757
   54    HH   TYR   6           HH       TYR   6 -15.067  -9.166  -0.961
   55    H    TYR   7           H        TYR   7 -10.900  -2.151  -4.014
   56    HA   TYR   7           HA       TYR   7 -11.943  -0.257  -5.984
   57   1HB   TYR   7          2HB       TYR   7  -9.447  -0.546  -4.281
   58   2HB   TYR   7          3HB       TYR   7  -9.453   0.440  -5.649
   59    HD1  TYR   7           HD1      TYR   7  -9.786   0.635  -2.237
   60    HD2  TYR   7           HD2      TYR   7 -11.846   1.928  -5.772
   61    HE1  TYR   7           HE1      TYR   7 -10.749   2.545  -0.982
   62    HE2  TYR   7           HE2      TYR   7 -12.714   3.909  -4.577
   63    HH   TYR   7           HH       TYR   7 -11.635   4.730  -1.325
   64    H    THR   8           H        THR   8 -10.947  -0.182  -8.033
   65    HA   THR   8           HA       THR   8 -10.022  -2.801  -9.048
   66    HB   THR   8           HB       THR   8 -10.373  -1.467 -11.247
   67    HG1  THR   8          1HG       THR   8 -11.493   0.429 -11.052
   68   1HG2  THR   8          1HG       THR   8 -12.753  -1.903  -9.398
   69   2HG2  THR   8          2HG       THR   8 -12.831  -1.774 -11.166
   70   3HG2  THR   8          3HG       THR   8 -11.973  -3.135 -10.428
   71    H    LEU   9           H        LEU   9  -7.957  -2.999 -10.007
   72    HA   LEU   9           HA       LEU   9  -5.802  -1.626  -9.225
   73   1HB   LEU   9          2HB       LEU   9  -6.077  -2.490 -12.134
   74   2HB   LEU   9          3HB       LEU   9  -4.597  -2.213 -11.225
   75    HG   LEU   9           HG       LEU   9  -4.776  -4.514 -11.289
   76   1HD1  LEU   9          1HD       LEU   9  -5.127  -5.177  -8.945
   77   2HD1  LEU   9          2HD       LEU   9  -4.320  -3.598  -9.007
   78   3HD1  LEU   9          3HD       LEU   9  -6.062  -3.705  -8.662
   79   1HD2  LEU   9          1HD       LEU   9  -6.633  -5.776 -11.304
   80   2HD2  LEU   9          2HD       LEU   9  -7.499  -4.825 -10.111
   81   3HD2  LEU   9          3HD       LEU   9  -7.432  -4.276 -11.813
   82    H    GLU  10           H        GLU  10  -7.659  -0.599 -12.111
   83    HA   GLU  10           HA       GLU  10  -6.082   1.629 -12.779
   84   1HB   GLU  10          2HB       GLU  10  -9.061   1.048 -13.035
   85   2HB   GLU  10          3HB       GLU  10  -8.326   2.543 -13.610
   86   1HG   GLU  10          2HG       GLU  10  -6.600   0.935 -14.811
   87   2HG   GLU  10          3HG       GLU  10  -7.870  -0.286 -14.595
   88    H    GLU  11           H        GLU  11  -8.776   1.416 -10.408
   89    HA   GLU  11           HA       GLU  11  -8.850   4.180  -9.802
   90   1HB   GLU  11          2HB       GLU  11 -10.608   2.432  -9.272
   91   2HB   GLU  11          3HB       GLU  11  -9.564   1.837  -7.975
   92   1HG   GLU  11          2HG       GLU  11 -11.304   3.360  -7.167
   93   2HG   GLU  11          3HG       GLU  11  -9.689   3.980  -6.823
   94    H    ILE  12           H        ILE  12  -7.011   1.416  -8.259
   95    HA   ILE  12           HA       ILE  12  -5.779   3.096  -6.347
   96    HB   ILE  12           HB       ILE  12  -4.727   0.607  -7.697
   97   1HG1  ILE  12          2HG       ILE  12  -5.576   0.129  -5.004
   98   2HG1  ILE  12          3HG       ILE  12  -6.752   1.218  -5.710
   99   1HG2  ILE  12          1HG       ILE  12  -2.904   0.557  -6.463
  100   2HG2  ILE  12          2HG       ILE  12  -3.188   2.281  -6.065
  101   3HG2  ILE  12          3HG       ILE  12  -3.709   1.030  -4.967
  102   1HD1  ILE  12          1HD       ILE  12  -6.624  -0.468  -7.702
  103   2HD1  ILE  12          2HD       ILE  12  -5.899  -1.545  -6.545
  104   3HD1  ILE  12          3HD       ILE  12  -7.559  -0.939  -6.264
  105    H    LYS  13           H        LYS  13  -4.901   2.472  -9.777
  106    HA   LYS  13           HA       LYS  13  -2.446   4.042  -9.591
  107   1HB   LYS  13          2HB       LYS  13  -4.139   3.124 -11.942
  108   2HB   LYS  13          3HB       LYS  13  -2.834   4.273 -12.145
  109   1HG   LYS  13          2HG       LYS  13  -1.485   2.521 -12.413
  110   2HG   LYS  13          3HG       LYS  13  -1.500   2.397 -10.664
  111   1HD   LYS  13          2HD       LYS  13  -2.448   0.338 -10.789
  112   2HD   LYS  13          3HD       LYS  13  -3.795   1.005 -11.727
  113   1HE   LYS  13          2HE       LYS  13  -2.098   0.986 -13.720
  114   2HE   LYS  13          3HE       LYS  13  -1.244  -0.220 -12.747
  115   1HZ   LYS  13          1HZ       LYS  13  -2.792  -1.721 -13.279
  116   2HZ   LYS  13          2HZ       LYS  13  -4.049  -0.720 -12.921
  117   3HZ   LYS  13          3HZ       LYS  13  -3.352  -0.662 -14.407
  118    H    LYS  14           H        LYS  14  -5.826   4.930  -9.750
  119    HA   LYS  14           HA       LYS  14  -5.173   7.724 -10.442
  120   1HB   LYS  14          2HB       LYS  14  -7.725   6.172  -9.949
  121   2HB   LYS  14          3HB       LYS  14  -7.724   7.899  -9.712
  122   1HG   LYS  14          2HG       LYS  14  -8.210   8.062 -11.851
  123   2HG   LYS  14          3HG       LYS  14  -6.499   7.854 -12.141
  124   1HD   LYS  14          2HD       LYS  14  -8.090   5.318 -11.996
  125   2HD   LYS  14          3HD       LYS  14  -8.534   6.422 -13.290
  126   1HE   LYS  14          2HE       LYS  14  -6.169   6.560 -14.021
  127   2HE   LYS  14          3HE       LYS  14  -5.732   5.345 -12.808
  128   1HZ   LYS  14          1HZ       LYS  14  -7.879   4.541 -14.608
  129   2HZ   LYS  14          2HZ       LYS  14  -6.449   4.764 -15.337
  130   3HZ   LYS  14          3HZ       LYS  14  -6.583   3.716 -14.094
  131    H    HIS  15           H        HIS  15  -4.314   6.099  -7.694
  132    HA   HIS  15           HA       HIS  15  -4.994   8.486  -6.051
  133   1HB   HIS  15          2HB       HIS  15  -4.862   5.548  -5.457
  134   2HB   HIS  15          3HB       HIS  15  -4.507   6.690  -4.194
  135    HD1  HIS  15           HD1      HIS  15  -6.588   8.609  -3.718
  136    HD2  HIS  15           HD2      HIS  15  -7.413   5.159  -6.004
  137    HE1  HIS  15           HE1      HIS  15  -9.115   8.417  -3.881
  138    H    ASN  16           H        ASN  16  -2.652   7.569  -8.046
  139    HA   ASN  16           HA       ASN  16  -0.367   7.644  -6.182
  140   1HB   ASN  16          2HB       ASN  16  -0.564   7.282  -9.209
  141   2HB   ASN  16          3HB       ASN  16   0.940   7.303  -8.286
  142   1HD2  ASN  16          1HD       ASN  16  -2.089   5.684  -7.097
  143   2HD2  ASN  16          2HD       ASN  16  -1.387   4.141  -7.131
  144    H    HIS  17           H        HIS  17  -0.957   9.937  -5.538
  145    HA   HIS  17           HA       HIS  17   0.425  11.790  -7.447
  146   1HB   HIS  17          2HB       HIS  17  -1.297  13.547  -6.569
  147   2HB   HIS  17          3HB       HIS  17  -1.667  12.482  -7.916
  148    HD1  HIS  17           HD1      HIS  17  -3.139  13.420  -4.597
  149    HD2  HIS  17           HD2      HIS  17  -3.281  10.298  -7.405
  150    HE1  HIS  17           HE1      HIS  17  -5.260  12.097  -4.115
  151    H    SER  18           H        SER  18  -0.709  11.417  -4.087
  152    HA   SER  18           HA       SER  18   1.606  11.564  -2.700
  153   1HB   SER  18          2HB       SER  18   0.895  14.334  -3.657
  154   2HB   SER  18          3HB       SER  18   1.298  14.169  -1.947
  155    HG   SER  18           HG       SER  18   3.076  12.847  -3.512
  156    H    LYS  19           H        LYS  19  -1.490  13.316  -2.853
  157    HA   LYS  19           HA       LYS  19  -1.909  12.875   0.021
  158   1HB   LYS  19          2HB       LYS  19  -3.918  14.228  -0.223
  159   2HB   LYS  19          3HB       LYS  19  -2.470  15.052  -0.755
  160   1HG   LYS  19          2HG       LYS  19  -4.132  13.659  -2.837
  161   2HG   LYS  19          3HG       LYS  19  -4.793  15.096  -2.089
  162   1HD   LYS  19          2HD       LYS  19  -2.611  16.309  -2.696
  163   2HD   LYS  19          3HD       LYS  19  -2.251  14.947  -3.755
  164   1HE   LYS  19          2HE       LYS  19  -4.920  15.509  -4.361
  165   2HE   LYS  19          3HE       LYS  19  -4.298  17.106  -3.956
  166   1HZ   LYS  19          1HZ       LYS  19  -3.221  15.326  -6.063
  167   2HZ   LYS  19          2HZ       LYS  19  -4.104  16.680  -6.282
  168   3HZ   LYS  19          3HZ       LYS  19  -2.594  16.801  -5.653
  169    H    SER  20           H        SER  20  -1.797  10.536  -1.611
  170    HA   SER  20           HA       SER  20  -3.877   8.946  -0.557
  171   1HB   SER  20          2HB       SER  20  -4.264   9.944  -3.372
  172   2HB   SER  20          3HB       SER  20  -4.766   8.318  -2.977
  173    HG   SER  20           HG       SER  20  -5.631  10.259  -1.227
  174    H    THR  21           H        THR  21  -0.883   8.947  -0.897
  175    HA   THR  21           HA       THR  21   0.033   7.171  -2.892
  176    HB   THR  21           HB       THR  21   0.967   7.701  -0.047
  177    HG1  THR  21          1HG       THR  21   1.955   8.655  -2.523
  178   1HG2  THR  21          1HG       THR  21   2.353   6.004  -0.363
  179   2HG2  THR  21          2HG       THR  21   1.978   5.834  -2.091
  180   3HG2  THR  21          3HG       THR  21   3.183   7.017  -1.565
  181    H    TRP  22           H        TRP  22  -1.559   5.636  -3.195
  182    HA   TRP  22           HA       TRP  22  -1.912   3.553  -1.132
  183   1HB   TRP  22          2HB       TRP  22  -3.086   4.168  -3.877
  184   2HB   TRP  22          3HB       TRP  22  -3.392   2.647  -3.048
  185    HD1  TRP  22           HD1      TRP  22  -3.327   5.293  -0.498
  186    HE1  TRP  22           HE1      TRP  22  -5.673   5.950   0.214
  187    HE3  TRP  22           HE3      TRP  22  -5.914   2.977  -4.216
  188    HZ2  TRP  22           HZ2      TRP  22  -8.351   5.729  -0.859
  189    HZ3  TRP  22           HZ3      TRP  22  -8.393   3.247  -4.385
  190    HH2  TRP  22           HH2      TRP  22  -9.579   4.696  -2.772
  191    H    LEU  23           H        LEU  23  -1.798   1.304  -2.118
  192    HA   LEU  23           HA       LEU  23  -0.034   0.761  -4.292
  193   1HB   LEU  23          2HB       LEU  23   1.827  -0.210  -2.864
  194   2HB   LEU  23          3HB       LEU  23   1.749   1.531  -2.976
  195    HG   LEU  23           HG       LEU  23   0.488   1.494  -0.691
  196   1HD1  LEU  23          1HD       LEU  23   1.842  -1.171  -0.603
  197   2HD1  LEU  23          2HD       LEU  23   0.825  -0.420   0.660
  198   3HD1  LEU  23          3HD       LEU  23   0.114  -1.028  -0.844
  199   1HD2  LEU  23          1HD       LEU  23   2.546   2.314  -0.241
  200   2HD2  LEU  23          2HD       LEU  23   2.943   0.668   0.297
  201   3HD2  LEU  23          3HD       LEU  23   3.362   1.183  -1.332
  202    H    ILE  24           H        ILE  24   0.510  -1.782  -4.072
  203    HA   ILE  24           HA       ILE  24  -1.991  -3.124  -3.110
  204    HB   ILE  24           HB       ILE  24  -0.017  -3.436  -5.498
  205   1HG1  ILE  24          2HG       ILE  24  -2.920  -3.868  -5.599
  206   2HG1  ILE  24          3HG       ILE  24  -2.420  -2.205  -5.264
  207   1HG2  ILE  24          1HG       ILE  24  -1.932  -5.593  -4.514
  208   2HG2  ILE  24          2HG       ILE  24  -1.290  -5.513  -6.169
  209   3HG2  ILE  24          3HG       ILE  24  -0.189  -5.759  -4.819
  210   1HD1  ILE  24          1HD       ILE  24  -2.540  -2.191  -7.660
  211   2HD1  ILE  24          2HD       ILE  24  -0.820  -2.395  -7.328
  212   3HD1  ILE  24          3HD       ILE  24  -1.796  -3.800  -7.790
  213    H    LEU  25           H        LEU  25  -0.869  -3.361  -0.992
  214    HA   LEU  25           HA       LEU  25   1.448  -5.191  -1.120
  215   1HB   LEU  25          2HB       LEU  25   0.448  -3.218   0.863
  216   2HB   LEU  25          3HB       LEU  25   1.149  -4.718   1.522
  217    HG   LEU  25           HG       LEU  25   2.558  -3.066  -0.585
  218   1HD1  LEU  25          1HD       LEU  25   2.073  -1.824   1.689
  219   2HD1  LEU  25          2HD       LEU  25   3.268  -2.946   2.362
  220   3HD1  LEU  25          3HD       LEU  25   3.709  -1.839   1.041
  221   1HD2  LEU  25          1HD       LEU  25   3.306  -5.249  -0.347
  222   2HD2  LEU  25          2HD       LEU  25   4.543  -4.169   0.302
  223   3HD2  LEU  25          3HD       LEU  25   3.506  -5.119   1.414
  224    H    HIS  26           H        HIS  26   0.581  -7.007  -1.621
  225    HA   HIS  26           HA       HIS  26  -0.426  -8.980  -1.324
  226   1HB   HIS  26          2HB       HIS  26  -1.902  -7.951   1.123
  227   2HB   HIS  26          3HB       HIS  26  -1.464  -9.602   0.732
  228    HD1  HIS  26           HD1      HIS  26   1.458  -9.911   0.634
  229    HD2  HIS  26           HD2      HIS  26  -0.252  -6.665   2.694
  230    HE1  HIS  26           HE1      HIS  26   3.279  -8.951   2.140
  231    H    HIS  27           H        HIS  27  -2.766  -9.712  -1.114
  232    HA   HIS  27           HA       HIS  27  -4.659  -8.668  -2.964
  233   1HB   HIS  27          2HB       HIS  27  -6.122 -10.516  -2.055
  234   2HB   HIS  27          3HB       HIS  27  -4.579 -11.024  -2.703
  235    HD1  HIS  27           HD1      HIS  27  -3.413 -12.794  -1.222
  236    HD2  HIS  27           HD2      HIS  27  -6.086 -10.303   0.839
  237    HE1  HIS  27           HE1      HIS  27  -3.483 -13.634   1.190
  238    H    LYS  28           H        LYS  28  -4.052  -6.601  -1.155
  239    HA   LYS  28           HA       LYS  28  -6.693  -5.910  -0.454
  240   1HB   LYS  28          2HB       LYS  28  -4.710  -6.553   1.684
  241   2HB   LYS  28          3HB       LYS  28  -5.470  -4.970   1.822
  242   1HG   LYS  28          2HG       LYS  28  -7.364  -5.866   2.624
  243   2HG   LYS  28          3HG       LYS  28  -7.562  -6.852   1.195
  244   1HD   LYS  28          2HD       LYS  28  -6.201  -8.627   2.132
  245   2HD   LYS  28          3HD       LYS  28  -5.874  -7.704   3.594
  246   1HE   LYS  28          2HE       LYS  28  -7.950  -8.062   4.471
  247   2HE   LYS  28          3HE       LYS  28  -8.737  -7.757   2.920
  248   1HZ   LYS  28          1HZ       LYS  28  -7.989 -10.018   2.264
  249   2HZ   LYS  28          2HZ       LYS  28  -7.604 -10.307   3.842
  250   3HZ   LYS  28          3HZ       LYS  28  -9.160  -9.961   3.404
  251    H    VAL  29           H        VAL  29  -6.673  -3.365  -0.023
  252    HA   VAL  29           HA       VAL  29  -4.557  -2.293  -1.793
  253    HB   VAL  29           HB       VAL  29  -7.279  -1.536  -0.907
  254   1HG1  VAL  29          1HG       VAL  29  -7.234   0.384  -2.399
  255   2HG1  VAL  29          2HG       VAL  29  -6.042   0.462  -1.079
  256   3HG1  VAL  29          3HG       VAL  29  -5.509   0.042  -2.721
  257   1HG2  VAL  29          1HG       VAL  29  -8.191  -1.713  -3.010
  258   2HG2  VAL  29          2HG       VAL  29  -6.599  -2.030  -3.744
  259   3HG2  VAL  29          3HG       VAL  29  -7.381  -3.224  -2.650
  260    H    TYR  30           H        TYR  30  -3.060  -1.092  -0.627
  261    HA   TYR  30           HA       TYR  30  -3.728  -0.465   2.198
  262   1HB   TYR  30          2HB       TYR  30  -1.316  -1.292   0.622
  263   2HB   TYR  30          3HB       TYR  30  -1.111  -0.298   2.043
  264    HD1  TYR  30           HD1      TYR  30   0.340  -1.944   2.988
  265    HD2  TYR  30           HD2      TYR  30  -3.716  -2.946   1.989
  266    HE1  TYR  30           HE1      TYR  30   0.570  -4.079   4.206
  267    HE2  TYR  30           HE2      TYR  30  -3.552  -4.970   3.385
  268    HH   TYR  30           HH       TYR  30  -2.155  -5.816   5.314
  269    H    ASP  31           H        ASP  31  -2.951   1.548   2.923
  270    HA   ASP  31           HA       ASP  31  -2.401   3.682   0.973
  271   1HB   ASP  31          2HB       ASP  31  -4.784   3.577   1.265
  272   2HB   ASP  31          3HB       ASP  31  -4.639   3.525   3.035
  273    H    LEU  32           H        LEU  32  -0.571   4.479   1.692
  274    HA   LEU  32           HA       LEU  32  -0.202   4.717   4.633
  275   1HB   LEU  32          2HB       LEU  32   2.360   4.547   3.486
  276   2HB   LEU  32          3HB       LEU  32   1.573   3.466   4.624
  277    HG   LEU  32           HG       LEU  32   1.397   3.152   1.615
  278   1HD1  LEU  32          1HD       LEU  32   3.017   1.169   2.357
  279   2HD1  LEU  32          2HD       LEU  32   3.615   2.797   2.037
  280   3HD1  LEU  32          3HD       LEU  32   3.358   2.244   3.710
  281   1HD2  LEU  32          1HD       LEU  32  -0.141   1.621   2.086
  282   2HD2  LEU  32          2HD       LEU  32   1.016   0.711   3.080
  283   3HD2  LEU  32          3HD       LEU  32  -0.009   1.952   3.817
  284    H    THR  33           H        THR  33  -1.404   6.557   2.682
  285    HA   THR  33           HA       THR  33   0.329   8.630   1.894
  286    HB   THR  33           HB       THR  33  -2.606   8.487   2.813
  287    HG1  THR  33          1HG       THR  33  -2.233   7.274   1.035
  288   1HG2  THR  33          1HG       THR  33  -3.019  10.497   1.586
  289   2HG2  THR  33          2HG       THR  33  -1.779  10.849   2.803
  290   3HG2  THR  33          3HG       THR  33  -1.300  10.605   1.106
  291    H    LYS  34           H        LYS  34  -1.669   8.315   4.895
  292    HA   LYS  34           HA       LYS  34  -0.385  10.696   6.009
  293   1HB   LYS  34          2HB       LYS  34  -2.753   9.933   6.556
  294   2HB   LYS  34          3HB       LYS  34  -2.046   8.603   7.477
  295   1HG   LYS  34          2HG       LYS  34  -0.751  11.082   8.281
  296   2HG   LYS  34          3HG       LYS  34  -2.482  11.358   8.271
  297   1HD   LYS  34          2HD       LYS  34  -2.900   9.617   9.839
  298   2HD   LYS  34          3HD       LYS  34  -1.283   8.911   9.619
  299   1HE   LYS  34          2HE       LYS  34  -0.330  10.201  11.096
  300   2HE   LYS  34          3HE       LYS  34  -0.990  11.683  10.414
  301   1HZ   LYS  34          1HZ       LYS  34  -1.560  10.807  12.787
  302   2HZ   LYS  34          2HZ       LYS  34  -2.661  11.672  11.911
  303   3HZ   LYS  34          3HZ       LYS  34  -2.771  10.022  11.996
  304    H    PHE  35           H        PHE  35   0.716   7.555   5.456
  305    HA   PHE  35           HA       PHE  35   2.277   7.412   7.947
  306   1HB   PHE  35          2HB       PHE  35   0.856   5.497   7.213
  307   2HB   PHE  35          3HB       PHE  35   1.807   5.400   5.748
  308    HD1  PHE  35          1HD       PHE  35   2.526   5.666   9.440
  309    HD2  PHE  35          2HD       PHE  35   3.457   3.759   5.682
  310    HE1  PHE  35          1HE       PHE  35   4.294   4.329  10.543
  311    HE2  PHE  35          2HE       PHE  35   5.031   2.285   6.801
  312    HZ   PHE  35           HZ       PHE  35   5.589   2.690   9.244
  313    H    LEU  36           H        LEU  36   2.489   8.280   4.663
  314    HA   LEU  36           HA       LEU  36   5.067   7.427   3.837
  315   1HB   LEU  36          2HB       LEU  36   3.363  10.012   3.500
  316   2HB   LEU  36          3HB       LEU  36   4.975   9.942   2.801
  317    HG   LEU  36           HG       LEU  36   2.537   8.314   2.036
  318   1HD1  LEU  36          1HD       LEU  36   3.788   9.633  -0.153
  319   2HD1  LEU  36          2HD       LEU  36   2.222   9.982   0.599
  320   3HD1  LEU  36          3HD       LEU  36   3.673  10.817   1.159
  321   1HD2  LEU  36          1HD       LEU  36   4.164   6.753   1.832
  322   2HD2  LEU  36          2HD       LEU  36   4.279   7.513   0.234
  323   3HD2  LEU  36          3HD       LEU  36   5.457   7.937   1.480
  324    H    GLU  37           H        GLU  37   4.675  10.720   5.247
  325    HA   GLU  37           HA       GLU  37   7.473  10.686   5.953
  326   1HB   GLU  37          2HB       GLU  37   6.834  12.769   7.170
  327   2HB   GLU  37          3HB       GLU  37   6.418  12.777   5.457
  328   1HG   GLU  37          2HG       GLU  37   4.136  12.651   5.820
  329   2HG   GLU  37          3HG       GLU  37   4.290  11.844   7.378
  330    H    GLU  38           H        GLU  38   4.702   9.244   7.390
  331    HA   GLU  38           HA       GLU  38   5.779   9.336  10.122
  332   1HB   GLU  38          2HB       GLU  38   3.208   9.221   8.987
  333   2HB   GLU  38          3HB       GLU  38   3.444   7.635   9.727
  334   1HG   GLU  38          2HG       GLU  38   3.929   8.691  11.882
  335   2HG   GLU  38          3HG       GLU  38   3.844  10.294  11.139
  336    H    HIS  39           HN       HIS  39   6.574   7.531   7.420
  337    HA   HIS  39           HA       HIS  39   6.592   4.960   8.683
  338   1HB   HIS  39          2HB       HIS  39   6.130   5.020   6.332
  339   2HB   HIS  39          3HB       HIS  39   7.603   5.906   6.008
  340    HD1  HIS  39           HND      HIS  39   9.124   4.503   4.763
  341    HD2  HIS  39           HD       HIS  39   7.022   2.229   7.544
  342    HE1  HIS  39           HE       HIS  39   9.812   2.147   4.352
  343    HA   PRO  40           HA       PRO  40  10.652   5.854  10.337
  344   1HB   PRO  40          2HB       PRO  40  11.068   3.465  11.679
  345   2HB   PRO  40          3HB       PRO  40  10.007   4.781  12.262
  346   1HG   PRO  40          2HG       PRO  40   9.244   2.215  10.936
  347   2HG   PRO  40          3HG       PRO  40   8.376   3.125  12.208
  348   1HD   PRO  40          2HD       PRO  40   7.809   3.145   9.464
  349   2HD   PRO  40          3HD       PRO  40   7.260   4.374  10.646
  350    H    GLY  41           H        GLY  41  11.481   5.995   8.198
  351   1HA   GLY  41          2HA       GLY  41  13.747   4.627   7.651
  352   2HA   GLY  41          3HA       GLY  41  12.524   3.627   6.844
  353    H    GLY  42           H        GLY  42  10.966   4.909   5.388
  354   1HA   GLY  42          2HA       GLY  42  11.982   7.424   4.297
  355   2HA   GLY  42          3HA       GLY  42  12.225   6.058   3.205
  356    H    GLU  43           H        GLU  43  10.378   8.561   3.360
  357    HA   GLU  43           HA       GLU  43   7.740   7.365   2.935
  358   1HB   GLU  43          2HB       GLU  43   7.123   9.603   2.157
  359   2HB   GLU  43          3HB       GLU  43   7.877   9.629   3.748
  360   1HG   GLU  43          2HG       GLU  43   9.399  10.356   1.232
  361   2HG   GLU  43          3HG       GLU  43   8.485  11.518   2.188
  362    H    GLU  44           H        GLU  44  10.419   8.279   1.035
  363    HA   GLU  44           HA       GLU  44   8.994   8.481  -1.506
  364   1HB   GLU  44          2HB       GLU  44  11.178   9.541  -1.297
  365   2HB   GLU  44          3HB       GLU  44  11.972   7.965  -1.190
  366   1HG   GLU  44          2HG       GLU  44  10.289   8.068  -3.603
  367   2HG   GLU  44          3HG       GLU  44  11.295   9.487  -3.546
  368    H    VAL  45           H        VAL  45  10.771   5.759   0.001
  369    HA   VAL  45           HA       VAL  45  10.427   3.952  -2.151
  370    HB   VAL  45           HB       VAL  45  10.294   2.237  -0.217
  371   1HG1  VAL  45          1HG       VAL  45  12.285   2.675  -1.586
  372   2HG1  VAL  45          2HG       VAL  45  12.721   4.043  -0.545
  373   3HG1  VAL  45          3HG       VAL  45  12.731   2.382   0.108
  374   1HG2  VAL  45          1HG       VAL  45  10.717   2.860   1.962
  375   2HG2  VAL  45          2HG       VAL  45  11.496   4.389   1.506
  376   3HG2  VAL  45          3HG       VAL  45   9.732   4.217   1.427
  377    H    LEU  46           H        LEU  46   8.020   5.065   0.483
  378    HA   LEU  46           HA       LEU  46   6.227   3.005  -0.405
  379   1HB   LEU  46          2HB       LEU  46   5.689   5.697   0.789
  380   2HB   LEU  46          3HB       LEU  46   4.619   4.292   0.858
  381    HG   LEU  46           HG       LEU  46   7.166   4.973   2.340
  382   1HD1  LEU  46          1HD       LEU  46   5.800   5.162   4.059
  383   2HD1  LEU  46          2HD       LEU  46   4.434   4.721   3.048
  384   3HD1  LEU  46          3HD       LEU  46   5.327   3.460   3.926
  385   1HD2  LEU  46          1HD       LEU  46   6.303   2.120   1.832
  386   2HD2  LEU  46          2HD       LEU  46   7.910   2.860   1.623
  387   3HD2  LEU  46          3HD       LEU  46   7.285   2.613   3.235
  388    H    ARG  47           H        ARG  47   7.087   6.153  -1.783
  389    HA   ARG  47           HA       ARG  47   4.757   6.202  -3.538
  390   1HB   ARG  47          2HB       ARG  47   5.940   8.259  -2.640
  391   2HB   ARG  47          3HB       ARG  47   7.298   7.847  -3.691
  392   1HG   ARG  47          2HG       ARG  47   5.084   7.847  -5.452
  393   2HG   ARG  47          3HG       ARG  47   4.704   9.118  -4.310
  394   1HD   ARG  47          2HD       ARG  47   5.970  10.383  -5.741
  395   2HD   ARG  47          3HD       ARG  47   7.289   9.774  -4.759
  396    HE   ARG  47           HE       ARG  47   8.009   8.433  -6.496
  397   1HH1  ARG  47          2HH       ARG  47   4.817   9.722  -7.267
  398   2HH1  ARG  47          1HH       ARG  47   4.853   9.299  -8.941
  399   1HH2  ARG  47          2HH       ARG  47   8.092   7.839  -8.755
  400   2HH2  ARG  47          1HH       ARG  47   6.766   8.195  -9.799
  401    H    GLU  48           H        GLU  48   8.086   4.937  -3.695
  402    HA   GLU  48           HA       GLU  48   8.264   4.968  -6.562
  403   1HB   GLU  48          2HB       GLU  48   9.928   4.157  -4.318
  404   2HB   GLU  48          3HB       GLU  48   9.839   2.831  -5.467
  405   1HG   GLU  48          2HG       GLU  48  10.273   4.876  -7.209
  406   2HG   GLU  48          3HG       GLU  48  11.034   5.569  -5.780
  407    H    GLN  49           H        GLN  49   6.543   3.012  -4.353
  408    HA   GLN  49           HA       GLN  49   5.928   0.970  -6.447
  409   1HB   GLN  49          2HB       GLN  49   5.893   0.895  -3.417
  410   2HB   GLN  49          3HB       GLN  49   5.416  -0.453  -4.476
  411   1HG   GLN  49          2HG       GLN  49   8.214   0.785  -4.449
  412   2HG   GLN  49          3HG       GLN  49   7.721  -0.636  -3.549
  413   1HE2  GLN  49          1HE       GLN  49   9.809  -0.599  -5.643
  414   2HE2  GLN  49          2HE       GLN  49   9.181  -1.691  -6.874
  415    H    ALA  50           H        ALA  50   4.811   3.743  -5.465
  416    HA   ALA  50           HA       ALA  50   2.251   3.397  -4.400
  417   1HB   ALA  50          1HB       ALA  50   2.844   5.395  -6.610
  418   2HB   ALA  50          2HB       ALA  50   1.654   5.534  -5.290
  419   3HB   ALA  50          3HB       ALA  50   3.388   5.616  -4.937
  420    H    GLY  51           H        GLY  51   0.219   3.066  -5.329
  421   1HA   GLY  51          2HA       GLY  51  -1.228   1.762  -6.490
  422   2HA   GLY  51          3HA       GLY  51  -0.724   2.710  -7.890
  423    H    GLY  52           H        GLY  52   1.565   0.507  -6.179
  424   1HA   GLY  52          2HA       GLY  52   1.462  -1.415  -8.409
  425   2HA   GLY  52          3HA       GLY  52   2.933  -0.520  -7.953
  426    H    ASP  53           H        ASP  53   2.986  -3.247  -7.854
  427    HA   ASP  53           HA       ASP  53   2.178  -4.339  -5.351
  428   1HB   ASP  53          2HB       ASP  53   3.561  -6.275  -6.299
  429   2HB   ASP  53          3HB       ASP  53   2.055  -5.848  -7.089
  430    H    ALA  54           H        ALA  54   3.205  -3.531  -3.586
  431    HA   ALA  54           HA       ALA  54   6.172  -3.256  -3.743
  432   1HB   ALA  54          1HB       ALA  54   6.078  -1.776  -1.999
  433   2HB   ALA  54          2HB       ALA  54   4.510  -1.444  -2.765
  434   3HB   ALA  54          3HB       ALA  54   4.592  -2.458  -1.320
  435    H    THR  55           H        THR  55   3.914  -5.668  -2.909
  436    HA   THR  55           HA       THR  55   4.856  -6.642  -0.474
  437    HB   THR  55           HB       THR  55   3.490  -7.803  -2.923
  438    HG1  THR  55          1HG       THR  55   2.673  -7.387  -0.236
  439   1HG2  THR  55          1HG       THR  55   4.643  -9.682  -2.037
  440   2HG2  THR  55          2HG       THR  55   4.214  -9.239  -0.363
  441   3HG2  THR  55          3HG       THR  55   2.949  -9.774  -1.516
  442    H    GLU  56           H        GLU  56   6.252  -6.922  -3.737
  443    HA   GLU  56           HA       GLU  56   8.073  -9.032  -3.142
  444   1HB   GLU  56          2HB       GLU  56   7.992  -6.685  -5.059
  445   2HB   GLU  56          3HB       GLU  56   9.442  -7.691  -4.967
  446   1HG   GLU  56          2HG       GLU  56   6.668  -8.882  -5.380
  447   2HG   GLU  56          3HG       GLU  56   7.677  -8.339  -6.725
  448    H    ASN  57           H        ASN  57   8.230  -5.496  -2.524
  449    HA   ASN  57           HA       ASN  57  11.006  -5.713  -1.544
  450   1HB   ASN  57          2HB       ASN  57   9.177  -3.503  -2.191
  451   2HB   ASN  57          3HB       ASN  57   9.865  -3.327  -0.565
  452   1HD2  ASN  57          1HD       ASN  57  11.309  -4.677  -3.581
  453   2HD2  ASN  57          2HD       ASN  57  12.690  -3.593  -3.497
  454    H    PHE  58           H        PHE  58   8.062  -4.531  -0.078
  455    HA   PHE  58           HA       PHE  58   8.453  -4.948   2.659
  456   1HB   PHE  58          2HB       PHE  58   6.230  -4.481   2.103
  457   2HB   PHE  58          3HB       PHE  58   6.076  -5.938   1.129
  458    HD1  PHE  58          1HD       PHE  58   5.664  -8.105   2.091
  459    HD2  PHE  58          2HD       PHE  58   6.047  -4.650   4.633
  460    HE1  PHE  58          1HE       PHE  58   4.792  -9.423   4.009
  461    HE2  PHE  58          2HE       PHE  58   5.128  -5.956   6.534
  462    HZ   PHE  58           HZ       PHE  58   4.511  -8.359   6.208
  463    H    GLU  59           H        GLU  59   8.076  -7.929   0.576
  464    HA   GLU  59           HA       GLU  59   8.596  -9.665   2.886
  465   1HB   GLU  59          2HB       GLU  59   7.997 -10.024  -0.045
  466   2HB   GLU  59          3HB       GLU  59   8.834 -11.308   0.763
  467   1HG   GLU  59          2HG       GLU  59   6.312 -10.201   2.005
  468   2HG   GLU  59          3HG       GLU  59   6.227 -11.350   0.672
  469    H    ASP  60           H        ASP  60  10.432  -8.608  -0.057
  470    HA   ASP  60           HA       ASP  60  12.676 -10.261   0.207
  471   1HB   ASP  60          2HB       ASP  60  12.160  -7.535  -0.945
  472   2HB   ASP  60          3HB       ASP  60  13.813  -7.828  -0.498
  473    H    VAL  61           H        VAL  61  11.928  -7.187   1.796
  474    HA   VAL  61           HA       VAL  61  14.391  -7.314   3.372
  475    HB   VAL  61           HB       VAL  61  13.801  -5.189   4.255
  476   1HG1  VAL  61          1HG       VAL  61  12.582  -4.833   1.524
  477   2HG1  VAL  61          2HG       VAL  61  13.820  -3.880   2.352
  478   3HG1  VAL  61          3HG       VAL  61  14.242  -5.445   1.629
  479   1HG2  VAL  61          1HG       VAL  61  11.553  -4.124   3.734
  480   2HG2  VAL  61          2HG       VAL  61  10.994  -5.729   3.235
  481   3HG2  VAL  61          3HG       VAL  61  11.512  -5.447   4.912
  482    H    GLY  62           H        GLY  62  10.880  -7.934   3.983
  483   1HA   GLY  62          2HA       GLY  62  10.497  -9.987   5.178
  484   2HA   GLY  62          3HA       GLY  62  11.849  -9.585   6.257
  485    H    HIS  63           HN       HIS  63  11.470  -6.879   6.587
  486    HA   HIS  63           HA       HIS  63  10.666  -5.495   8.080
  487   1HB   HIS  63          2HB       HIS  63   8.121  -6.450   6.768
  488   2HB   HIS  63          3HB       HIS  63   7.964  -5.496   8.208
  489    HD1  HIS  63           HND      HIS  63   9.193  -5.163   4.638
  490    HD2  HIS  63           HD       HIS  63   8.375  -2.884   8.066
  491    HE1  HIS  63           HE       HIS  63   9.146  -2.753   3.878
  492    H    SER  64           H        SER  64   9.455  -5.288  10.260
  493    HA   SER  64           HA       SER  64   9.459  -7.896  11.685
  494   1HB   SER  64          2HB       SER  64   9.296  -5.039  12.710
  495   2HB   SER  64          3HB       SER  64   9.372  -6.495  13.705
  496    HG   SER  64           HG       SER  64  11.382  -6.664  12.024
  497    H    THR  65           H        THR  65   7.666  -7.950  13.498
  498    HA   THR  65           HA       THR  65   5.220  -8.072  12.140
  499    HB   THR  65           HB       THR  65   6.000  -8.277  15.066
  500    HG1  THR  65          1HG       THR  65   5.671 -10.185  12.988
  501   1HG2  THR  65          1HG       THR  65   3.948  -9.697  15.225
  502   2HG2  THR  65          2HG       THR  65   3.596  -7.988  14.909
  503   3HG2  THR  65          3HG       THR  65   3.492  -9.167  13.581
  504    H    ASP  66           H        ASP  66   6.534  -5.628  14.492
  505    HA   ASP  66           HA       ASP  66   4.279  -4.136  14.939
  506   1HB   ASP  66          2HB       ASP  66   7.139  -3.222  14.386
  507   2HB   ASP  66          3HB       ASP  66   5.878  -2.184  15.052
  508    H    ALA  67           H        ALA  67   6.146  -4.399  11.941
  509    HA   ALA  67           HA       ALA  67   4.809  -2.058  10.753
  510   1HB   ALA  67          1HB       ALA  67   7.111  -2.668  10.077
  511   2HB   ALA  67          2HB       ALA  67   6.531  -4.247   9.529
  512   3HB   ALA  67          3HB       ALA  67   5.961  -2.769   8.713
  513    H    ARG  68           H        ARG  68   4.706  -5.647  10.624
  514    HA   ARG  68           HA       ARG  68   2.875  -6.020   8.611
  515   1HB   ARG  68          2HB       ARG  68   3.841  -7.627  10.695
  516   2HB   ARG  68          3HB       ARG  68   2.074  -7.833  10.632
  517   1HG   ARG  68          2HG       ARG  68   2.176  -8.078   8.189
  518   2HG   ARG  68          3HG       ARG  68   3.946  -7.857   8.233
  519   1HD   ARG  68          2HD       ARG  68   4.353  -9.911   9.088
  520   2HD   ARG  68          3HD       ARG  68   2.834  -9.953  10.011
  521    HE   ARG  68           HE       ARG  68   2.287  -9.995   7.198
  522   1HH1  ARG  68          2HH       ARG  68   3.449 -12.058   9.783
  523   2HH1  ARG  68          1HH       ARG  68   2.793 -13.530   9.158
  524   1HH2  ARG  68          2HH       ARG  68   1.384 -11.936   6.292
  525   2HH2  ARG  68          1HH       ARG  68   1.593 -13.447   7.097
  526    H    GLU  69           H        GLU  69   2.433  -4.823  12.005
  527    HA   GLU  69           HA       GLU  69  -0.441  -5.026  12.256
  528   1HB   GLU  69          2HB       GLU  69   1.836  -3.860  13.861
  529   2HB   GLU  69          3HB       GLU  69   0.249  -3.134  14.093
  530   1HG   GLU  69          2HG       GLU  69  -0.640  -5.522  14.372
  531   2HG   GLU  69          3HG       GLU  69   1.051  -6.001  14.595
  532    H    LEU  70           H        LEU  70   1.718  -2.124  11.673
  533    HA   LEU  70           HA       LEU  70  -0.455  -0.362  11.434
  534   1HB   LEU  70          2HB       LEU  70   2.433  -0.455  10.626
  535   2HB   LEU  70          3HB       LEU  70   1.416   0.722   9.867
  536    HG   LEU  70           HG       LEU  70   2.387   1.936  11.509
  537   1HD1  LEU  70          1HD       LEU  70  -0.161   2.025  11.568
  538   2HD1  LEU  70          2HD       LEU  70  -0.049   1.010  13.037
  539   3HD1  LEU  70          3HD       LEU  70   0.694   2.629  12.999
  540   1HD2  LEU  70          1HD       LEU  70   1.938  -0.433  13.336
  541   2HD2  LEU  70          2HD       LEU  70   3.473   0.128  12.635
  542   3HD2  LEU  70          3HD       LEU  70   2.635   1.130  13.845
  543    H    SER  71           H        SER  71   0.887  -2.639   8.997
  544    HA   SER  71           HA       SER  71  -0.575  -2.082   6.643
  545   1HB   SER  71          2HB       SER  71  -0.515  -4.806   7.826
  546   2HB   SER  71          3HB       SER  71  -0.256  -4.254   6.181
  547    HG   SER  71           HG       SER  71   1.751  -4.663   6.841
  548    H    LYS  72           H        LYS  72  -1.905  -3.147   9.720
  549    HA   LYS  72           HA       LYS  72  -4.454  -3.747   8.519
  550   1HB   LYS  72          2HB       LYS  72  -3.203  -4.387  10.918
  551   2HB   LYS  72          3HB       LYS  72  -4.295  -3.094  11.432
  552   1HG   LYS  72          2HG       LYS  72  -5.614  -5.082  11.578
  553   2HG   LYS  72          3HG       LYS  72  -6.089  -4.399  10.008
  554   1HD   LYS  72          2HD       LYS  72  -4.106  -5.876   9.055
  555   2HD   LYS  72          3HD       LYS  72  -4.193  -6.692  10.623
  556   1HE   LYS  72          2HE       LYS  72  -6.846  -6.621   9.944
  557   2HE   LYS  72          3HE       LYS  72  -6.125  -6.651   8.329
  558   1HZ   LYS  72          1HZ       LYS  72  -6.556  -8.866   9.170
  559   2HZ   LYS  72          2HZ       LYS  72  -4.930  -8.652   8.991
  560   3HZ   LYS  72          3HZ       LYS  72  -5.611  -8.599  10.488
  561    H    THR  73           H        THR  73  -3.055  -0.865  10.164
  562    HA   THR  73           HA       THR  73  -5.617   0.538   9.895
  563    HB   THR  73           HB       THR  73  -3.681   0.764  11.709
  564    HG1  THR  73          1HG       THR  73  -5.679   1.769  11.806
  565   1HG2  THR  73          1HG       THR  73  -2.397   2.783  11.480
  566   2HG2  THR  73          2HG       THR  73  -1.988   1.697  10.138
  567   3HG2  THR  73          3HG       THR  73  -3.058   3.097   9.870
  568    H    PHE  74           H        PHE  74  -3.111  -0.270   7.743
  569    HA   PHE  74           HA       PHE  74  -3.466   2.128   6.052
  570   1HB   PHE  74          2HB       PHE  74  -1.826  -0.393   5.765
  571   2HB   PHE  74          3HB       PHE  74  -1.813   0.958   4.640
  572    HD1  PHE  74          1HD       PHE  74   0.635   0.225   5.399
  573    HD2  PHE  74          2HD       PHE  74  -2.120   2.647   7.680
  574    HE1  PHE  74          1HE       PHE  74   2.510   1.237   6.648
  575    HE2  PHE  74          2HE       PHE  74  -0.265   3.449   9.078
  576    HZ   PHE  74           HZ       PHE  74   2.023   2.643   8.618
  577    H    ILE  75           H        ILE  75  -4.784  -1.102   6.302
  578    HA   ILE  75           HA       ILE  75  -5.541  -1.320   3.559
  579    HB   ILE  75           HB       ILE  75  -5.842  -2.757   6.012
  580   1HG1  ILE  75          2HG       ILE  75  -6.872  -3.651   3.329
  581   2HG1  ILE  75          3HG       ILE  75  -5.159  -3.377   3.616
  582   1HG2  ILE  75          1HG       ILE  75  -8.521  -2.465   4.608
  583   2HG2  ILE  75          2HG       ILE  75  -8.120  -3.600   5.918
  584   3HG2  ILE  75          3HG       ILE  75  -8.102  -1.871   6.244
  585   1HD1  ILE  75          1HD       ILE  75  -6.908  -5.359   5.101
  586   2HD1  ILE  75          2HD       ILE  75  -5.493  -5.676   4.084
  587   3HD1  ILE  75          3HD       ILE  75  -5.269  -4.892   5.633
  588    H    ILE  76           H        ILE  76  -7.044  -0.390   2.405
  589    HA   ILE  76           HA       ILE  76  -9.224   1.140   3.753
  590    HB   ILE  76           HB       ILE  76  -9.048   2.850   1.980
  591   1HG1  ILE  76          2HG       ILE  76  -6.656   2.907   0.858
  592   2HG1  ILE  76          3HG       ILE  76  -6.676   1.175   1.043
  593   1HG2  ILE  76          1HG       ILE  76  -6.542   2.488   3.634
  594   2HG2  ILE  76          2HG       ILE  76  -7.078   3.991   2.851
  595   3HG2  ILE  76          3HG       ILE  76  -8.054   3.261   4.139
  596   1HD1  ILE  76          1HD       ILE  76  -7.492   2.205  -1.134
  597   2HD1  ILE  76          2HD       ILE  76  -8.692   1.132  -0.366
  598   3HD1  ILE  76          3HD       ILE  76  -8.811   2.919  -0.224
  599    H    GLY  77           H        GLY  77  -8.609  -1.573   2.045
  600   1HA   GLY  77          2HA       GLY  77 -11.148  -2.144   1.418
  601   2HA   GLY  77          3HA       GLY  77 -10.568  -1.357  -0.076
  602    H    GLU  78           H        GLU  78 -11.023  -3.698  -0.909
  603    HA   GLU  78           HA       GLU  78  -8.481  -5.104  -0.683
  604   1HB   GLU  78          2HB       GLU  78  -9.366  -7.233  -0.655
  605   2HB   GLU  78          3HB       GLU  78 -10.315  -6.347   0.533
  606   1HG   GLU  78          2HG       GLU  78 -12.122  -6.096  -1.260
  607   2HG   GLU  78          3HG       GLU  78 -11.146  -7.119  -2.297
  608    H    LEU  79           H        LEU  79  -7.817  -6.125  -2.775
  609    HA   LEU  79           HA       LEU  79  -8.475  -4.439  -4.955
  610   1HB   LEU  79          2HB       LEU  79  -7.026  -7.087  -4.545
  611   2HB   LEU  79          3HB       LEU  79  -7.516  -6.650  -6.167
  612    HG   LEU  79           HG       LEU  79  -5.372  -5.943  -6.049
  613   1HD1  LEU  79          1HD       LEU  79  -7.069  -4.276  -6.888
  614   2HD1  LEU  79          2HD       LEU  79  -6.763  -3.354  -5.415
  615   3HD1  LEU  79          3HD       LEU  79  -5.420  -3.679  -6.520
  616   1HD2  LEU  79          1HD       LEU  79  -4.278  -4.701  -4.301
  617   2HD2  LEU  79          2HD       LEU  79  -5.788  -4.382  -3.479
  618   3HD2  LEU  79          3HD       LEU  79  -5.114  -6.027  -3.526
  619    H    HIS  80           H        HIS  80  -9.732  -4.765  -6.711
  620    HA   HIS  80           HA       HIS  80 -12.243  -5.784  -6.291
  621   1HB   HIS  80          2HB       HIS  80 -10.826  -4.620  -8.465
  622   2HB   HIS  80          3HB       HIS  80 -11.561  -6.073  -9.112
  623    HD1  HIS  80           HD1      HIS  80 -13.810  -5.309 -10.261
  624    HD2  HIS  80           HD2      HIS  80 -12.959  -3.410  -6.599
  625    HE1  HIS  80           HE1      HIS  80 -15.814  -3.850  -9.718
  626    HA   PRO  81           HA       PRO  81 -11.993 -10.086  -6.755
  627   1HB   PRO  81          2HB       PRO  81 -14.406 -10.784  -7.963
  628   2HB   PRO  81          3HB       PRO  81 -14.222 -10.330  -6.242
  629   1HG   PRO  81          2HG       PRO  81 -15.322  -8.703  -8.497
  630   2HG   PRO  81          3HG       PRO  81 -15.695  -8.622  -6.749
  631   1HD   PRO  81          2HD       PRO  81 -13.966  -6.952  -8.239
  632   2HD   PRO  81          3HD       PRO  81 -14.115  -6.979  -6.457
  633    H    ASP  82           H        ASP  82 -12.560  -8.094  -9.591
  634    HA   ASP  82           HA       ASP  82 -12.136 -10.140 -11.487
  635   1HB   ASP  82          2HB       ASP  82 -11.420  -7.237 -11.969
  636   2HB   ASP  82          3HB       ASP  82 -11.997  -8.445 -13.131
  637    H    ASP  83           H        ASP  83  -9.937  -8.386  -9.429
  638    HA   ASP  83           HA       ASP  83  -7.500  -8.698 -10.946
  639   1HB   ASP  83          2HB       ASP  83  -7.901  -6.951  -9.246
  640   2HB   ASP  83          3HB       ASP  83  -8.018  -8.171  -7.994
  641    H    ARG  84           H        ARG  84  -9.509 -11.008  -9.499
  642    HA   ARG  84           HA       ARG  84  -7.266 -12.705  -8.602
  643   1HB   ARG  84          2HB       ARG  84  -9.317 -12.306  -7.209
  644   2HB   ARG  84          3HB       ARG  84 -10.266 -13.132  -8.440
  645   1HG   ARG  84          2HG       ARG  84  -7.991 -14.813  -7.726
  646   2HG   ARG  84          3HG       ARG  84  -8.711 -14.227  -6.249
  647   1HD   ARG  84          2HD       ARG  84 -10.398 -15.667  -6.405
  648   2HD   ARG  84          3HD       ARG  84 -10.876 -15.043  -7.990
  649    HE   ARG  84           HE       ARG  84  -8.786 -16.582  -8.655
  650   1HH1  ARG  84          2HH       ARG  84 -11.845 -17.055  -7.002
  651   2HH1  ARG  84          1HH       ARG  84 -12.024 -18.733  -7.376
  652   1HH2  ARG  84          2HH       ARG  84  -8.897 -18.907  -9.082
  653   2HH2  ARG  84          1HH       ARG  84 -10.295 -19.808  -8.612
  654    H    SER  85           H        SER  85  -7.731 -12.100 -11.463
  655    HA   SER  85           HA       SER  85  -6.961 -13.376 -13.247
  656   1HB   SER  85          2HB       SER  85  -6.623 -15.369 -11.706
  657   2HB   SER  85          3HB       SER  85  -8.278 -15.875 -12.125
  658    HG   SER  85           HG       SER  85  -7.698 -16.076 -14.208
  659    H    LYS  86           H        LYS  86  -8.988 -11.661 -13.429
  660    HA   LYS  86           HA       LYS  86 -10.759 -13.050 -15.345
  661   1HB   LYS  86          2HB       LYS  86 -12.090 -13.120 -13.343
  662   2HB   LYS  86          3HB       LYS  86 -11.622 -11.494 -12.901
  663   1HG   LYS  86          2HG       LYS  86 -13.886 -11.358 -13.651
  664   2HG   LYS  86          3HG       LYS  86 -12.918 -10.621 -14.912
  665   1HD   LYS  86          2HD       LYS  86 -14.196 -12.011 -16.234
  666   2HD   LYS  86          3HD       LYS  86 -12.897 -13.154 -15.855
  667   1HE   LYS  86          2HE       LYS  86 -14.474 -13.537 -13.670
  668   2HE   LYS  86          3HE       LYS  86 -15.707 -12.956 -14.798
  669   1HZ   LYS  86          1HZ       LYS  86 -14.700 -14.736 -16.333
  670   2HZ   LYS  86          2HZ       LYS  86 -14.060 -15.374 -14.956
  671   3HZ   LYS  86          3HZ       LYS  86 -15.692 -15.224 -15.112
  672    H    LEU  87           H        LEU  87 -10.489  -9.823 -13.854
  673    HA   LEU  87           HA       LEU  87 -10.686  -7.728 -14.763
  674   1HB   LEU  87          2HB       LEU  87  -8.388  -8.841 -16.398
  675   2HB   LEU  87          3HB       LEU  87  -8.723  -7.131 -16.101
  676    HG   LEU  87           HG       LEU  87  -8.058  -9.194 -13.949
  677   1HD1  LEU  87          1HD       LEU  87  -6.398  -6.935 -15.119
  678   2HD1  LEU  87          2HD       LEU  87  -5.928  -8.013 -13.780
  679   3HD1  LEU  87          3HD       LEU  87  -6.159  -8.675 -15.410
  680   1HD2  LEU  87          1HD       LEU  87  -8.537  -6.178 -13.840
  681   2HD2  LEU  87          2HD       LEU  87  -9.477  -7.448 -13.030
  682   3HD2  LEU  87          3HD       LEU  87  -7.825  -7.142 -12.524
  683    H    SER  88           H        SER  88 -12.877  -8.223 -15.749
  684    HA   SER  88           HA       SER  88 -12.744  -7.435 -18.551
  685   1HB   SER  88          2HB       SER  88 -12.479 -10.050 -18.259
  686   2HB   SER  88          3HB       SER  88 -14.230 -10.010 -17.984
  687    HG   SER  88           HG       SER  88 -14.534  -9.387 -20.036
  688    H    LYS  89           H        LYS  89 -14.340  -5.827 -18.592
  689    HA   LYS  89           HA       LYS  89 -16.955  -6.513 -17.439
  690   1HB   LYS  89          2HB       LYS  89 -15.671  -5.309 -15.643
  691   2HB   LYS  89          3HB       LYS  89 -15.515  -3.928 -16.745
  692   1HG   LYS  89          2HG       LYS  89 -18.106  -4.028 -16.926
  693   2HG   LYS  89          3HG       LYS  89 -18.050  -5.122 -15.543
  694   1HD   LYS  89          2HD       LYS  89 -16.993  -3.420 -14.168
  695   2HD   LYS  89          3HD       LYS  89 -16.790  -2.337 -15.557
  696   1HE   LYS  89          2HE       LYS  89 -19.512  -3.344 -14.641
  697   2HE   LYS  89          3HE       LYS  89 -18.781  -1.862 -14.006
  698   1HZ   LYS  89          1HZ       LYS  89 -19.355  -2.352 -16.879
  699   2HZ   LYS  89          2HZ       LYS  89 -20.244  -1.402 -15.859
  700   3HZ   LYS  89          3HZ       LYS  89 -18.699  -0.992 -16.240
  701    HA   PRO  90           HA       PRO  90 -17.600  -4.383 -21.383
  702   1HB   PRO  90          2HB       PRO  90 -20.270  -5.016 -21.720
  703   2HB   PRO  90          3HB       PRO  90 -18.922  -6.137 -22.051
  704   1HG   PRO  90          2HG       PRO  90 -20.773  -6.069 -19.690
  705   2HG   PRO  90          3HG       PRO  90 -20.005  -7.472 -20.494
  706   1HD   PRO  90          2HD       PRO  90 -19.126  -6.196 -18.125
  707   2HD   PRO  90          3HD       PRO  90 -18.167  -7.334 -19.121
  708    H    MET  91           H        MET  91 -19.642  -2.896 -22.127
  709    HA   MET  91           HA       MET  91 -20.358  -1.076 -19.923
  710   1HB   MET  91          2HB       MET  91 -18.351  -0.545 -21.928
  711   2HB   MET  91          3HB       MET  91 -19.785   0.388 -22.369
  712   1HG   MET  91          2HG       MET  91 -19.870   1.158 -19.926
  713   2HG   MET  91          3HG       MET  91 -18.286   0.398 -19.734
  714   1HE   MET  91          1HE       MET  91 -20.526   2.790 -21.337
  715   2HE   MET  91          2HE       MET  91 -19.677   4.233 -20.742
  716   3HE   MET  91          3HE       MET  91 -19.548   3.770 -22.453
  717    H    GLU  92           H        GLU  92 -22.377   0.001 -20.324
  718    HA   GLU  92           HA       GLU  92 -23.703  -0.427 -22.870
  719   1HB   GLU  92          2HB       GLU  92 -24.186  -2.189 -20.687
  720   2HB   GLU  92          3HB       GLU  92 -25.522  -1.045 -20.624
  721   1HG   GLU  92          2HG       GLU  92 -24.647  -2.620 -23.092
  722   2HG   GLU  92          3HG       GLU  92 -25.962  -3.089 -22.008
  723    H    THR  93           H        THR  93 -24.826   1.507 -23.262
  724    HA   THR  93           HA       THR  93 -25.029   3.432 -21.005
  725    HB   THR  93           HB       THR  93 -23.211   4.301 -22.334
  726    HG1  THR  93          1HG       THR  93 -25.479   5.763 -23.149
  727   1HG2  THR  93          1HG       THR  93 -23.840   5.154 -24.726
  728   2HG2  THR  93          2HG       THR  93 -23.272   3.488 -24.521
  729   3HG2  THR  93          3HG       THR  93 -25.010   3.827 -24.718
  730    H    LEU  94           H        LEU  94 -26.757   5.009 -21.447
  731    HA   LEU  94           HA       LEU  94 -29.197   3.903 -22.610
  732   1HB   LEU  94          2HB       LEU  94 -29.188   5.653 -20.805
  733   2HB   LEU  94          3HB       LEU  94 -28.322   6.738 -21.898
  734    HG   LEU  94           HG       LEU  94 -30.696   5.801 -23.272
  735   1HD1  LEU  94          1HD       LEU  94 -32.471   6.459 -21.888
  736   2HD1  LEU  94          2HD       LEU  94 -31.481   5.389 -20.886
  737   3HD1  LEU  94          3HD       LEU  94 -31.389   7.154 -20.657
  738   1HD2  LEU  94          1HD       LEU  94 -31.179   8.234 -23.316
  739   2HD2  LEU  94          2HD       LEU  94 -29.916   8.506 -22.091
  740   3HD2  LEU  94          3HD       LEU  94 -29.480   7.902 -23.706
  741    HHA  HEM  95          MHG       HEM  95  12.061   0.079   8.710
  742    HHB  HEM  95          MHD       HEM  95   5.706  -0.177   9.576
  743    HHC  HEM  95          MHA       HEM  95   4.936  -0.917   3.249
  744    HHD  HEM  95          MHB       HEM  95  11.233  -0.067   2.331
  745   1HMA  HEM  95          1HM       HEM  95   6.725  -0.860  11.518
  746   2HMA  HEM  95          2HM       HEM  95   8.263  -0.759  12.355
  747   3HMA  HEM  95          3HM       HEM  95   7.390   0.728  11.921
  748   1HAA  HEM  95          1HP       HEM  95  10.391  -0.260  12.110
  749   2HAA  HEM  95          2HP       HEM  95  11.518   0.476  10.983
  750   1HBA  HEM  95          3HP       HEM  95  12.298  -1.752  11.805
  751   2HBA  HEM  95          4HP       HEM  95  12.098  -1.728  10.055
  752   1HMB  HEM  95          1HM       HEM  95   3.695  -1.167   9.035
  753   2HMB  HEM  95          2HM       HEM  95   3.253   0.469   8.612
  754   3HMB  HEM  95          3HM       HEM  95   2.398  -0.925   7.841
  755    HAB  HEM  95          AHT       HEM  95   2.711  -0.354   4.305
  756   1HBB  HEM  95          CHV       HEM  95   2.866  -3.038   5.669
  757   2HBB  HEM  95          THV       HEM  95   1.301  -2.187   5.096
  758   1HMC  HEM  95          1HM       HEM  95   5.251  -0.251   1.174
  759   2HMC  HEM  95          2HM       HEM  95   6.416  -0.319  -0.114
  760   3HMC  HEM  95          3HM       HEM  95   5.945  -1.833   0.716
  761    HAC  HEM  95          AHT       HEM  95  10.327  -0.209   0.283
  762   1HBC  HEM  95          THV       HEM  95   9.225  -0.863  -1.696
  763   2HBC  HEM  95          CHV       HEM  95   8.006  -1.850  -0.699
  764   1HMD  HEM  95          1HM       HEM  95  14.592   0.213   4.024
  765   2HMD  HEM  95          2HM       HEM  95  13.417  -0.195   2.781
  766   3HMD  HEM  95          3HM       HEM  95  13.536   1.481   3.358
  767   1HAD  HEM  95          1HP       HEM  95  13.866   1.193   7.578
  768   2HAD  HEM  95          2HP       HEM  95  14.766   0.813   6.124
  769   1HBD  HEM  95          3HP       HEM  95  14.126  -0.947   8.474
  770   2HBD  HEM  95          4HP       HEM  95  15.638  -0.756   7.591
  Start of MODEL    8
    1   1H    ASP   1           H1       ASP   1 -25.518   4.379   4.112
    2   2H    ASP   1           H2       ASP   1 -26.783   3.756   4.967
    3   3H    ASP   1           H3       ASP   1 -25.522   4.361   5.793
    4    HA   ASP   1           HA       ASP   1 -24.220   2.558   5.469
    5   1HB   ASP   1          2HB       ASP   1 -27.009   1.417   5.016
    6   2HB   ASP   1          3HB       ASP   1 -25.599   0.542   5.651
    7    H    LYS   2           H        LYS   2 -23.127   1.197   3.792
    8    HA   LYS   2           HA       LYS   2 -24.404   1.098   1.219
    9   1HB   LYS   2          2HB       LYS   2 -22.871   2.484  -0.024
   10   2HB   LYS   2          3HB       LYS   2 -23.631   3.458   1.218
   11   1HG   LYS   2          2HG       LYS   2 -21.585   3.325   2.615
   12   2HG   LYS   2          3HG       LYS   2 -20.819   2.299   1.388
   13   1HD   LYS   2          2HD       LYS   2 -21.031   4.056  -0.290
   14   2HD   LYS   2          3HD       LYS   2 -21.789   5.143   0.898
   15   1HE   LYS   2          2HE       LYS   2 -19.794   5.303   2.192
   16   2HE   LYS   2          3HE       LYS   2 -19.124   3.830   1.474
   17   1HZ   LYS   2          1HZ       LYS   2 -17.975   5.308   0.293
   18   2HZ   LYS   2          2HZ       LYS   2 -19.299   5.334  -0.671
   19   3HZ   LYS   2          3HZ       LYS   2 -19.072   6.529   0.441
   20    H    ASP   3           H        ASP   3 -22.255   0.591  -0.366
   21    HA   ASP   3           HA       ASP   3 -21.419  -2.025   0.403
   22   1HB   ASP   3          2HB       ASP   3 -21.669  -0.693  -1.955
   23   2HB   ASP   3          3HB       ASP   3 -19.943  -0.454  -1.695
   24    H    VAL   4           H        VAL   4 -18.771  -2.259  -0.141
   25    HA   VAL   4           HA       VAL   4 -17.542  -0.930   2.183
   26    HB   VAL   4           HB       VAL   4 -16.459  -3.190   0.499
   27   1HG1  VAL   4          1HG       VAL   4 -15.253  -1.815   2.538
   28   2HG1  VAL   4          2HG       VAL   4 -16.114  -3.036   3.465
   29   3HG1  VAL   4          3HG       VAL   4 -14.958  -3.537   2.215
   30   1HG2  VAL   4          1HG       VAL   4 -18.518  -3.375   2.699
   31   2HG2  VAL   4          2HG       VAL   4 -18.576  -4.063   1.059
   32   3HG2  VAL   4          3HG       VAL   4 -17.453  -4.730   2.245
   33    H    LYS   5           H        LYS   5 -15.104  -1.832   0.367
   34    HA   LYS   5           HA       LYS   5 -14.666   0.888  -0.770
   35   1HB   LYS   5          2HB       LYS   5 -12.799  -1.199   0.325
   36   2HB   LYS   5          3HB       LYS   5 -12.283   0.342  -0.388
   37   1HG   LYS   5          2HG       LYS   5 -14.180   0.102   2.020
   38   2HG   LYS   5          3HG       LYS   5 -12.465   0.304   2.166
   39   1HD   LYS   5          2HD       LYS   5 -13.150   2.337   0.364
   40   2HD   LYS   5          3HD       LYS   5 -14.568   2.271   1.414
   41   1HE   LYS   5          2HE       LYS   5 -13.423   3.149   3.194
   42   2HE   LYS   5          3HE       LYS   5 -12.035   2.084   2.912
   43   1HZ   LYS   5          1HZ       LYS   5 -11.334   4.281   2.580
   44   2HZ   LYS   5          2HZ       LYS   5 -11.355   3.514   1.130
   45   3HZ   LYS   5          3HZ       LYS   5 -12.548   4.608   1.510
   46    H    TYR   6           H        TYR   6 -13.379  -2.373  -1.303
   47    HA   TYR   6           HA       TYR   6 -12.694  -3.447  -3.173
   48   1HB   TYR   6          2HB       TYR   6 -15.618  -2.826  -3.565
   49   2HB   TYR   6          3HB       TYR   6 -14.695  -3.840  -4.651
   50    HD1  TYR   6           HD1      TYR   6 -14.886  -3.672  -0.868
   51    HD2  TYR   6           HD2      TYR   6 -15.251  -6.048  -4.414
   52    HE1  TYR   6           HE1      TYR   6 -15.473  -5.623   0.526
   53    HE2  TYR   6           HE2      TYR   6 -15.799  -8.041  -3.025
   54    HH   TYR   6           HH       TYR   6 -16.431  -7.766   0.455
   55    H    TYR   7           H        TYR   7 -10.986  -2.115  -4.206
   56    HA   TYR   7           HA       TYR   7 -12.007  -0.217  -6.190
   57   1HB   TYR   7          2HB       TYR   7  -9.558  -0.469  -4.425
   58   2HB   TYR   7          3HB       TYR   7  -9.583   0.556  -5.784
   59    HD1  TYR   7           HD1      TYR   7 -10.062   0.531  -2.336
   60    HD2  TYR   7           HD2      TYR   7 -11.798   2.141  -5.931
   61    HE1  TYR   7           HE1      TYR   7 -11.083   2.350  -1.023
   62    HE2  TYR   7           HE2      TYR   7 -12.796   4.001  -4.632
   63    HH   TYR   7           HH       TYR   7 -11.861   4.742  -1.454
   64    H    THR   8           H        THR   8 -10.983  -0.284  -8.213
   65    HA   THR   8           HA       THR   8 -10.077  -2.958  -9.064
   66    HB   THR   8           HB       THR   8 -10.270  -1.633 -11.334
   67    HG1  THR   8          1HG       THR   8 -11.696   0.187 -11.078
   68   1HG2  THR   8          1HG       THR   8 -12.098  -2.973 -11.276
   69   2HG2  THR   8          2HG       THR   8 -12.310  -2.725  -9.541
   70   3HG2  THR   8          3HG       THR   8 -13.000  -1.561 -10.670
   71    H    LEU   9           H        LEU   9  -8.035  -3.213 -10.114
   72    HA   LEU   9           HA       LEU   9  -5.864  -1.908  -9.041
   73   1HB   LEU   9          2HB       LEU   9  -5.851  -2.998 -11.867
   74   2HB   LEU   9          3HB       LEU   9  -4.474  -2.693 -10.816
   75    HG   LEU   9           HG       LEU   9  -4.736  -4.974 -10.663
   76   1HD1  LEU   9          1HD       LEU   9  -5.492  -5.469  -8.403
   77   2HD1  LEU   9          2HD       LEU   9  -4.591  -3.937  -8.399
   78   3HD1  LEU   9          3HD       LEU   9  -6.369  -3.946  -8.298
   79   1HD2  LEU   9          1HD       LEU   9  -6.675  -6.199 -10.779
   80   2HD2  LEU   9          2HD       LEU   9  -7.657  -4.959 -10.012
   81   3HD2  LEU   9          3HD       LEU   9  -7.174  -4.783 -11.706
   82    H    GLU  10           H        GLU  10  -7.405  -1.058 -12.187
   83    HA   GLU  10           HA       GLU  10  -5.809   1.100 -12.875
   84   1HB   GLU  10          2HB       GLU  10  -8.701   0.362 -13.302
   85   2HB   GLU  10          3HB       GLU  10  -8.219   2.004 -13.703
   86   1HG   GLU  10          2HG       GLU  10  -7.486   1.298 -15.672
   87   2HG   GLU  10          3HG       GLU  10  -6.175   0.450 -14.858
   88    H    GLU  11           H        GLU  11  -8.432   1.080 -10.446
   89    HA   GLU  11           HA       GLU  11  -8.350   3.924 -10.037
   90   1HB   GLU  11          2HB       GLU  11 -10.330   2.573  -9.407
   91   2HB   GLU  11          3HB       GLU  11  -9.376   1.710  -8.194
   92   1HG   GLU  11          2HG       GLU  11 -10.726   3.556  -7.228
   93   2HG   GLU  11          3HG       GLU  11  -9.005   3.706  -6.906
   94    H    ILE  12           H        ILE  12  -6.818   1.076  -8.260
   95    HA   ILE  12           HA       ILE  12  -5.541   2.789  -6.417
   96    HB   ILE  12           HB       ILE  12  -4.644   0.078  -7.496
   97   1HG1  ILE  12          2HG       ILE  12  -5.606  -0.191  -4.903
   98   2HG1  ILE  12          3HG       ILE  12  -6.646   1.058  -5.546
   99   1HG2  ILE  12          1HG       ILE  12  -2.719   0.648  -6.498
  100   2HG2  ILE  12          2HG       ILE  12  -3.452   1.890  -5.440
  101   3HG2  ILE  12          3HG       ILE  12  -3.539   0.181  -5.023
  102   1HD1  ILE  12          1HD       ILE  12  -6.596  -0.850  -7.529
  103   2HD1  ILE  12          2HD       ILE  12  -6.545  -1.838  -6.089
  104   3HD1  ILE  12          3HD       ILE  12  -7.873  -0.693  -6.319
  105    H    LYS  13           H        LYS  13  -4.775   2.083  -9.765
  106    HA   LYS  13           HA       LYS  13  -2.125   3.345  -9.729
  107   1HB   LYS  13          2HB       LYS  13  -3.892   2.117 -11.870
  108   2HB   LYS  13          3HB       LYS  13  -2.362   2.925 -12.264
  109   1HG   LYS  13          2HG       LYS  13  -1.062   1.296 -11.320
  110   2HG   LYS  13          3HG       LYS  13  -2.180   1.076  -9.977
  111   1HD   LYS  13          2HD       LYS  13  -2.357  -0.939 -10.834
  112   2HD   LYS  13          3HD       LYS  13  -3.675  -0.174 -11.725
  113   1HE   LYS  13          2HE       LYS  13  -2.580  -0.191 -13.729
  114   2HE   LYS  13          3HE       LYS  13  -0.963  -0.208 -12.993
  115   1HZ   LYS  13          1HZ       LYS  13  -1.095  -2.437 -12.590
  116   2HZ   LYS  13          2HZ       LYS  13  -2.737  -2.488 -12.563
  117   3HZ   LYS  13          3HZ       LYS  13  -1.948  -2.369 -13.999
  118    H    LYS  14           H        LYS  14  -4.936   4.741  -9.243
  119    HA   LYS  14           HA       LYS  14  -4.363   7.191 -10.813
  120   1HB   LYS  14          2HB       LYS  14  -6.810   5.635 -10.281
  121   2HB   LYS  14          3HB       LYS  14  -7.017   7.312  -9.801
  122   1HG   LYS  14          2HG       LYS  14  -6.703   8.101 -11.977
  123   2HG   LYS  14          3HG       LYS  14  -5.674   6.738 -12.431
  124   1HD   LYS  14          2HD       LYS  14  -7.894   5.305 -12.185
  125   2HD   LYS  14          3HD       LYS  14  -8.683   6.882 -12.370
  126   1HE   LYS  14          2HE       LYS  14  -8.411   6.257 -14.625
  127   2HE   LYS  14          3HE       LYS  14  -6.923   7.174 -14.333
  128   1HZ   LYS  14          1HZ       LYS  14  -7.285   4.278 -14.540
  129   2HZ   LYS  14          2HZ       LYS  14  -6.143   5.231 -15.252
  130   3HZ   LYS  14          3HZ       LYS  14  -6.043   4.846 -13.643
  131    H    HIS  15           H        HIS  15  -3.578   5.910  -7.977
  132    HA   HIS  15           HA       HIS  15  -4.065   8.404  -6.432
  133   1HB   HIS  15          2HB       HIS  15  -3.586   5.511  -5.729
  134   2HB   HIS  15          3HB       HIS  15  -3.281   6.787  -4.556
  135    HD1  HIS  15           HD1      HIS  15  -5.329   8.131  -3.616
  136    HD2  HIS  15           HD2      HIS  15  -6.196   5.089  -6.352
  137    HE1  HIS  15           HE1      HIS  15  -7.897   7.769  -3.550
  138    H    ASN  16           H        ASN  16  -1.496   6.596  -5.276
  139    HA   ASN  16           HA       ASN  16   0.655   7.190  -5.009
  140   1HB   ASN  16          2HB       ASN  16   2.114   7.057  -6.919
  141   2HB   ASN  16          3HB       ASN  16   0.825   5.873  -7.116
  142   1HD2  ASN  16          1HD       ASN  16  -0.762   6.202  -8.789
  143   2HD2  ASN  16          2HD       ASN  16  -0.519   7.427 -10.015
  144    H    HIS  17           H        HIS  17  -1.208   9.459  -4.895
  145    HA   HIS  17           HA       HIS  17   0.517  11.662  -5.868
  146   1HB   HIS  17          2HB       HIS  17  -2.369  11.428  -5.001
  147   2HB   HIS  17          3HB       HIS  17  -1.568  12.999  -5.053
  148    HD1  HIS  17           HD1      HIS  17  -0.489  13.659  -7.586
  149    HD2  HIS  17           HD2      HIS  17  -3.237  10.482  -7.317
  150    HE1  HIS  17           HE1      HIS  17  -1.296  13.187  -9.959
  151    H    SER  18           H        SER  18   0.906  13.445  -4.347
  152    HA   SER  18           HA       SER  18   1.860  12.568  -1.736
  153   1HB   SER  18          2HB       SER  18   1.746  15.251  -3.185
  154   2HB   SER  18          3HB       SER  18   2.543  14.998  -1.620
  155    HG   SER  18           HG       SER  18   3.246  13.185  -3.585
  156    H    LYS  19           H        LYS  19  -0.607  11.939  -1.397
  157    HA   LYS  19           HA       LYS  19  -1.680  13.518   0.628
  158   1HB   LYS  19          2HB       LYS  19  -2.315  14.903  -1.624
  159   2HB   LYS  19          3HB       LYS  19  -3.583  13.690  -1.682
  160   1HG   LYS  19          2HG       LYS  19  -3.844  14.399   0.934
  161   2HG   LYS  19          3HG       LYS  19  -3.011  15.846   0.362
  162   1HD   LYS  19          2HD       LYS  19  -5.255  16.432   0.040
  163   2HD   LYS  19          3HD       LYS  19  -4.829  15.796  -1.556
  164   1HE   LYS  19          2HE       LYS  19  -6.576  14.358  -1.309
  165   2HE   LYS  19          3HE       LYS  19  -5.543  13.483  -0.168
  166   1HZ   LYS  19          1HZ       LYS  19  -7.660  14.004   0.809
  167   2HZ   LYS  19          2HZ       LYS  19  -6.482  14.834   1.602
  168   3HZ   LYS  19          3HZ       LYS  19  -7.464  15.614   0.530
  169    H    SER  20           H        SER  20  -2.255  11.089  -1.933
  170    HA   SER  20           HA       SER  20  -3.563   9.329   0.029
  171   1HB   SER  20          2HB       SER  20  -4.650   9.988  -2.733
  172   2HB   SER  20          3HB       SER  20  -5.182   8.647  -1.695
  173    HG   SER  20           HG       SER  20  -6.528  10.105  -0.989
  174    H    THR  21           H        THR  21  -1.081   8.824  -0.252
  175    HA   THR  21           HA       THR  21  -0.142   7.493  -2.595
  176    HB   THR  21           HB       THR  21   0.667   7.440   0.353
  177    HG1  THR  21          1HG       THR  21   1.302   9.078  -1.856
  178   1HG2  THR  21          1HG       THR  21   2.915   6.823  -0.625
  179   2HG2  THR  21          2HG       THR  21   1.694   5.556  -0.562
  180   3HG2  THR  21          3HG       THR  21   2.039   6.350  -2.113
  181    H    TRP  22           H        TRP  22  -1.327   5.728  -3.287
  182    HA   TRP  22           HA       TRP  22  -2.079   3.720  -1.227
  183   1HB   TRP  22          2HB       TRP  22  -3.108   4.250  -4.024
  184   2HB   TRP  22          3HB       TRP  22  -3.447   2.760  -3.162
  185    HD1  TRP  22           HD1      TRP  22  -3.500   5.616  -0.783
  186    HE1  TRP  22           HE1      TRP  22  -5.785   6.167  -0.100
  187    HE3  TRP  22           HE3      TRP  22  -5.902   2.836  -4.291
  188    HZ2  TRP  22           HZ2      TRP  22  -8.552   5.697  -1.195
  189    HZ3  TRP  22           HZ3      TRP  22  -8.382   2.949  -4.518
  190    HH2  TRP  22           HH2      TRP  22  -9.675   4.412  -3.056
  191    H    LEU  23           H        LEU  23  -1.918   1.446  -2.207
  192    HA   LEU  23           HA       LEU  23  -0.114   0.855  -4.305
  193   1HB   LEU  23          2HB       LEU  23   1.739  -0.119  -2.894
  194   2HB   LEU  23          3HB       LEU  23   1.672   1.615  -2.938
  195    HG   LEU  23           HG       LEU  23   0.374   1.504  -0.682
  196   1HD1  LEU  23          1HD       LEU  23  -0.032  -0.966  -0.767
  197   2HD1  LEU  23          2HD       LEU  23   1.704  -1.199  -0.801
  198   3HD1  LEU  23          3HD       LEU  23   0.912  -0.455   0.628
  199   1HD2  LEU  23          1HD       LEU  23   3.294   1.051  -1.284
  200   2HD2  LEU  23          2HD       LEU  23   2.480   2.450  -0.557
  201   3HD2  LEU  23          3HD       LEU  23   2.754   0.972   0.388
  202    H    ILE  24           H        ILE  24   0.607  -1.707  -3.810
  203    HA   ILE  24           HA       ILE  24  -1.898  -2.985  -2.835
  204    HB   ILE  24           HB       ILE  24   0.027  -3.918  -5.080
  205   1HG1  ILE  24          2HG       ILE  24  -1.034  -1.954  -5.933
  206   2HG1  ILE  24          3HG       ILE  24  -1.611  -3.431  -6.715
  207   1HG2  ILE  24          1HG       ILE  24  -2.630  -4.989  -4.106
  208   2HG2  ILE  24          2HG       ILE  24  -1.863  -5.464  -5.645
  209   3HG2  ILE  24          3HG       ILE  24  -1.041  -5.797  -4.118
  210   1HD1  ILE  24          1HD       ILE  24  -3.120  -1.973  -4.508
  211   2HD1  ILE  24          2HD       ILE  24  -3.457  -1.843  -6.256
  212   3HD1  ILE  24          3HD       ILE  24  -3.640  -3.395  -5.435
  213    H    LEU  25           H        LEU  25  -0.860  -3.519  -0.756
  214    HA   LEU  25           HA       LEU  25   1.590  -5.163  -0.917
  215   1HB   LEU  25          2HB       LEU  25   0.618  -3.039   0.920
  216   2HB   LEU  25          3HB       LEU  25   1.390  -4.443   1.697
  217    HG   LEU  25           HG       LEU  25   2.678  -3.065  -0.649
  218   1HD1  LEU  25          1HD       LEU  25   2.172  -1.712   1.744
  219   2HD1  LEU  25          2HD       LEU  25   3.782  -2.349   1.999
  220   3HD1  LEU  25          3HD       LEU  25   3.458  -1.333   0.583
  221   1HD2  LEU  25          1HD       LEU  25   4.068  -4.396   1.657
  222   2HD2  LEU  25          2HD       LEU  25   3.203  -5.364   0.480
  223   3HD2  LEU  25          3HD       LEU  25   4.510  -4.261  -0.061
  224    H    HIS  26           H        HIS  26   0.784  -7.147  -1.059
  225    HA   HIS  26           HA       HIS  26  -0.169  -9.083  -0.353
  226   1HB   HIS  26          2HB       HIS  26  -1.447  -7.636   1.995
  227   2HB   HIS  26          3HB       HIS  26  -1.081  -9.343   1.830
  228    HD1  HIS  26           HD1      HIS  26   1.733  -9.848   1.666
  229    HD2  HIS  26           HD2      HIS  26   0.403  -6.124   3.096
  230    HE1  HIS  26           HE1      HIS  26   3.692  -8.771   2.836
  231    H    HIS  27           H        HIS  27  -1.436  -7.978  -2.472
  232    HA   HIS  27           HA       HIS  27  -3.383  -7.745  -3.566
  233   1HB   HIS  27          2HB       HIS  27  -4.974  -9.737  -3.169
  234   2HB   HIS  27          3HB       HIS  27  -3.373 -10.035  -3.801
  235    HD1  HIS  27           HD1      HIS  27  -1.817 -11.621  -2.439
  236    HD2  HIS  27           HD2      HIS  27  -5.306 -10.410  -0.423
  237    HE1  HIS  27           HE1      HIS  27  -1.953 -13.028  -0.306
  238    H    LYS  28           H        LYS  28  -3.377  -5.953  -1.616
  239    HA   LYS  28           HA       LYS  28  -6.210  -5.535  -1.019
  240   1HB   LYS  28          2HB       LYS  28  -3.970  -5.891   0.987
  241   2HB   LYS  28          3HB       LYS  28  -5.200  -4.660   1.296
  242   1HG   LYS  28          2HG       LYS  28  -6.775  -6.112   1.857
  243   2HG   LYS  28          3HG       LYS  28  -6.468  -7.181   0.510
  244   1HD   LYS  28          2HD       LYS  28  -5.008  -8.527   1.654
  245   2HD   LYS  28          3HD       LYS  28  -4.435  -7.243   2.726
  246   1HE   LYS  28          2HE       LYS  28  -5.975  -7.708   4.294
  247   2HE   LYS  28          3HE       LYS  28  -7.287  -7.662   3.109
  248   1HZ   LYS  28          1HZ       LYS  28  -7.185  -9.812   4.054
  249   2HZ   LYS  28          2HZ       LYS  28  -6.678  -9.933   2.494
  250   3HZ   LYS  28          3HZ       LYS  28  -5.578  -9.981   3.717
  251    H    VAL  29           H        VAL  29  -6.389  -3.026  -0.281
  252    HA   VAL  29           HA       VAL  29  -4.429  -1.585  -1.947
  253    HB   VAL  29           HB       VAL  29  -7.234  -1.193  -1.039
  254   1HG1  VAL  29          1HG       VAL  29  -6.129   0.902  -1.252
  255   2HG1  VAL  29          2HG       VAL  29  -5.599   0.511  -2.885
  256   3HG1  VAL  29          3HG       VAL  29  -7.342   0.731  -2.549
  257   1HG2  VAL  29          1HG       VAL  29  -6.332  -2.004  -3.720
  258   2HG2  VAL  29          2HG       VAL  29  -7.529  -2.791  -2.624
  259   3HG2  VAL  29          3HG       VAL  29  -7.916  -1.277  -3.415
  260    H    TYR  30           H        TYR  30  -2.984  -0.523  -0.552
  261    HA   TYR  30           HA       TYR  30  -3.938   0.065   2.183
  262   1HB   TYR  30          2HB       TYR  30  -1.305  -0.351   0.801
  263   2HB   TYR  30          3HB       TYR  30  -1.394   0.378   2.369
  264    HD1  TYR  30           HD1      TYR  30  -3.917  -2.216   1.975
  265    HD2  TYR  30           HD2      TYR  30   0.232  -1.543   2.830
  266    HE1  TYR  30           HE1      TYR  30  -3.769  -4.438   2.979
  267    HE2  TYR  30           HE2      TYR  30   0.404  -3.847   3.706
  268    HH   TYR  30           HH       TYR  30  -2.460  -6.026   3.920
  269    H    ASP  31           H        ASP  31  -3.195   2.157   3.007
  270    HA   ASP  31           HA       ASP  31  -2.922   4.309   0.973
  271   1HB   ASP  31          2HB       ASP  31  -5.185   4.196   1.885
  272   2HB   ASP  31          3HB       ASP  31  -4.537   4.292   3.537
  273    H    LEU  32           H        LEU  32  -0.691   4.163   1.315
  274    HA   LEU  32           HA       LEU  32   0.358   4.567   4.041
  275   1HB   LEU  32          2HB       LEU  32   1.838   4.358   1.391
  276   2HB   LEU  32          3HB       LEU  32   2.530   4.409   3.012
  277    HG   LEU  32           HG       LEU  32   1.190   2.160   1.586
  278   1HD1  LEU  32          1HD       LEU  32   3.021   0.978   2.550
  279   2HD1  LEU  32          2HD       LEU  32   3.642   2.593   2.185
  280   3HD1  LEU  32          3HD       LEU  32   3.201   2.161   3.854
  281   1HD2  LEU  32          1HD       LEU  32   0.911   2.558   4.568
  282   2HD2  LEU  32          2HD       LEU  32  -0.381   2.204   3.405
  283   3HD2  LEU  32          3HD       LEU  32   0.818   0.967   3.764
  284    H    THR  33           H        THR  33  -1.331   6.605   2.927
  285    HA   THR  33           HA       THR  33   0.380   8.840   2.108
  286    HB   THR  33           HB       THR  33  -2.250   8.230   1.679
  287    HG1  THR  33          1HG       THR  33  -0.895  10.743   1.682
  288   1HG2  THR  33          1HG       THR  33  -3.539  10.107   2.521
  289   2HG2  THR  33          2HG       THR  33  -3.013   9.106   3.857
  290   3HG2  THR  33          3HG       THR  33  -2.133  10.633   3.483
  291    H    LYS  34           H        LYS  34  -1.618   8.120   4.987
  292    HA   LYS  34           HA       LYS  34  -0.559  10.456   6.333
  293   1HB   LYS  34          2HB       LYS  34  -2.282  10.086   7.736
  294   2HB   LYS  34          3HB       LYS  34  -2.824   8.911   6.576
  295   1HG   LYS  34          2HG       LYS  34  -2.947   7.714   8.532
  296   2HG   LYS  34          3HG       LYS  34  -1.396   7.186   7.891
  297   1HD   LYS  34          2HD       LYS  34  -0.398   7.916   9.835
  298   2HD   LYS  34          3HD       LYS  34  -0.923   9.569   9.468
  299   1HE   LYS  34          2HE       LYS  34  -3.151   9.023  10.514
  300   2HE   LYS  34          3HE       LYS  34  -2.449   7.482  11.041
  301   1HZ   LYS  34          1HZ       LYS  34  -0.631   9.364  11.804
  302   2HZ   LYS  34          2HZ       LYS  34  -2.087  10.075  12.140
  303   3HZ   LYS  34          3HZ       LYS  34  -1.695   8.609  12.786
  304    H    PHE  35           H        PHE  35   0.750   7.477   5.458
  305    HA   PHE  35           HA       PHE  35   2.348   7.179   7.886
  306   1HB   PHE  35          2HB       PHE  35   0.841   5.362   7.006
  307   2HB   PHE  35          3HB       PHE  35   1.835   5.312   5.558
  308    HD1  PHE  35          1HD       PHE  35   2.628   5.551   9.265
  309    HD2  PHE  35          2HD       PHE  35   3.296   3.553   5.507
  310    HE1  PHE  35          1HE       PHE  35   4.330   4.130  10.330
  311    HE2  PHE  35          2HE       PHE  35   4.859   2.024   6.584
  312    HZ   PHE  35           HZ       PHE  35   5.516   2.462   9.027
  313    H    LEU  36           H        LEU  36   2.535   8.301   4.689
  314    HA   LEU  36           HA       LEU  36   5.194   7.656   3.780
  315   1HB   LEU  36          2HB       LEU  36   3.340  10.185   3.880
  316   2HB   LEU  36          3HB       LEU  36   4.958  10.367   3.238
  317    HG   LEU  36           HG       LEU  36   2.650   8.831   2.022
  318   1HD1  LEU  36          1HD       LEU  36   2.575  11.278   1.814
  319   2HD1  LEU  36          2HD       LEU  36   4.233  11.262   1.152
  320   3HD1  LEU  36          3HD       LEU  36   2.902  10.498   0.253
  321   1HD2  LEU  36          1HD       LEU  36   4.702   7.650   1.619
  322   2HD2  LEU  36          2HD       LEU  36   4.243   8.495   0.117
  323   3HD2  LEU  36          3HD       LEU  36   5.543   9.133   1.137
  324    H    GLU  37           H        GLU  37   4.936  10.775   5.474
  325    HA   GLU  37           HA       GLU  37   7.725  10.271   6.236
  326   1HB   GLU  37          2HB       GLU  37   5.786  12.524   6.342
  327   2HB   GLU  37          3HB       GLU  37   6.897  12.481   7.701
  328   1HG   GLU  37          2HG       GLU  37   8.321  11.991   5.169
  329   2HG   GLU  37          3HG       GLU  37   7.398  13.478   5.104
  330    H    GLU  38           H        GLU  38   4.925   8.996   7.443
  331    HA   GLU  38           HA       GLU  38   5.801   9.002  10.266
  332   1HB   GLU  38          2HB       GLU  38   3.295   8.930   8.823
  333   2HB   GLU  38          3HB       GLU  38   3.381   7.526   9.868
  334   1HG   GLU  38          2HG       GLU  38   4.126  10.180  11.073
  335   2HG   GLU  38          3HG       GLU  38   2.447   9.964  10.603
  336    H    HIS  39           HN       HIS  39   6.647   7.289   7.498
  337    HA   HIS  39           HA       HIS  39   6.491   4.695   8.739
  338   1HB   HIS  39          2HB       HIS  39   5.917   4.696   6.420
  339   2HB   HIS  39          3HB       HIS  39   7.317   5.638   6.009
  340    HD1  HIS  39           HND      HIS  39   9.050   4.431   4.979
  341    HD2  HIS  39           HD       HIS  39   6.822   1.901   7.338
  342    HE1  HIS  39           HE       HIS  39   9.919   2.089   4.455
  343    HA   PRO  40           HA       PRO  40  10.665   5.268  10.191
  344   1HB   PRO  40          2HB       PRO  40  11.058   2.728  11.238
  345   2HB   PRO  40          3HB       PRO  40  10.160   4.044  12.054
  346   1HG   PRO  40          2HG       PRO  40   9.119   1.669  10.621
  347   2HG   PRO  40          3HG       PRO  40   8.392   2.538  12.000
  348   1HD   PRO  40          2HD       PRO  40   7.688   2.740   9.282
  349   2HD   PRO  40          3HD       PRO  40   7.212   3.887  10.574
  350    H    GLY  41           H        GLY  41  11.632   5.579   8.201
  351   1HA   GLY  41          2HA       GLY  41  13.711   4.151   7.400
  352   2HA   GLY  41          3HA       GLY  41  12.430   3.254   6.561
  353    H    GLY  42           H        GLY  42  10.938   4.596   5.217
  354   1HA   GLY  42          2HA       GLY  42  11.880   7.182   4.276
  355   2HA   GLY  42          3HA       GLY  42  12.119   5.894   3.089
  356    H    GLU  43           H        GLU  43  10.444   8.227   3.059
  357    HA   GLU  43           HA       GLU  43   7.652   7.272   2.945
  358   1HB   GLU  43          2HB       GLU  43   7.135   9.668   2.589
  359   2HB   GLU  43          3HB       GLU  43   8.013   9.363   4.071
  360   1HG   GLU  43          2HG       GLU  43   9.346  10.446   1.593
  361   2HG   GLU  43          3HG       GLU  43   8.688  11.442   2.890
  362    H    GLU  44           H        GLU  44  10.207   8.416   1.009
  363    HA   GLU  44           HA       GLU  44   8.716   8.790  -1.483
  364   1HB   GLU  44          2HB       GLU  44  10.912   9.803  -1.224
  365   2HB   GLU  44          3HB       GLU  44  11.678   8.206  -1.182
  366   1HG   GLU  44          2HG       GLU  44  10.201   8.258  -3.632
  367   2HG   GLU  44          3HG       GLU  44  10.859   9.862  -3.483
  368    H    VAL  45           H        VAL  45  10.487   5.968  -0.180
  369    HA   VAL  45           HA       VAL  45  10.111   4.243  -2.378
  370    HB   VAL  45           HB       VAL  45  10.257   2.456  -0.666
  371   1HG1  VAL  45          1HG       VAL  45  12.554   3.285   0.232
  372   2HG1  VAL  45          2HG       VAL  45  12.293   3.077  -1.504
  373   3HG1  VAL  45          3HG       VAL  45  12.253   4.701  -0.801
  374   1HG2  VAL  45          1HG       VAL  45  10.948   3.602   1.717
  375   2HG2  VAL  45          2HG       VAL  45   9.632   4.663   1.196
  376   3HG2  VAL  45          3HG       VAL  45   9.373   2.924   1.341
  377    H    LEU  46           H        LEU  46   7.758   5.321   0.260
  378    HA   LEU  46           HA       LEU  46   5.856   3.370  -0.587
  379   1HB   LEU  46          2HB       LEU  46   5.301   6.124   0.438
  380   2HB   LEU  46          3HB       LEU  46   4.275   4.694   0.632
  381    HG   LEU  46           HG       LEU  46   6.891   5.419   1.977
  382   1HD1  LEU  46          1HD       LEU  46   4.357   5.813   2.845
  383   2HD1  LEU  46          2HD       LEU  46   4.699   4.220   3.550
  384   3HD1  LEU  46          3HD       LEU  46   5.765   5.572   3.906
  385   1HD2  LEU  46          1HD       LEU  46   5.706   2.614   2.029
  386   2HD2  LEU  46          2HD       LEU  46   7.219   3.068   1.296
  387   3HD2  LEU  46          3HD       LEU  46   7.033   3.224   3.038
  388    H    ARG  47           H        ARG  47   6.813   6.461  -2.071
  389    HA   ARG  47           HA       ARG  47   4.591   6.470  -3.958
  390   1HB   ARG  47          2HB       ARG  47   5.951   8.516  -3.088
  391   2HB   ARG  47          3HB       ARG  47   7.137   8.029  -4.314
  392   1HG   ARG  47          2HG       ARG  47   5.104   8.015  -5.969
  393   2HG   ARG  47          3HG       ARG  47   4.236   8.877  -4.702
  394   1HD   ARG  47          2HD       ARG  47   5.951  10.654  -4.736
  395   2HD   ARG  47          3HD       ARG  47   6.880   9.768  -5.950
  396    HE   ARG  47           HE       ARG  47   4.468  11.347  -6.337
  397   1HH1  ARG  47          2HH       ARG  47   6.362   8.688  -7.695
  398   2HH1  ARG  47          1HH       ARG  47   5.783   8.884  -9.308
  399   1HH2  ARG  47          2HH       ARG  47   3.621  11.580  -8.472
  400   2HH2  ARG  47          1HH       ARG  47   4.157  10.552  -9.745
  401    H    GLU  48           H        GLU  48   7.896   5.053  -3.919
  402    HA   GLU  48           HA       GLU  48   8.107   4.925  -6.791
  403   1HB   GLU  48          2HB       GLU  48   9.525   3.739  -4.427
  404   2HB   GLU  48          3HB       GLU  48   9.581   2.830  -5.929
  405   1HG   GLU  48          2HG       GLU  48  10.223   5.274  -6.903
  406   2HG   GLU  48          3HG       GLU  48  10.881   5.397  -5.266
  407    H    GLN  49           H        GLN  49   6.742   2.711  -4.334
  408    HA   GLN  49           HA       GLN  49   5.885   0.862  -6.488
  409   1HB   GLN  49          2HB       GLN  49   6.076   0.688  -3.452
  410   2HB   GLN  49          3HB       GLN  49   5.337  -0.539  -4.501
  411   1HG   GLN  49          2HG       GLN  49   7.564  -1.144  -3.897
  412   2HG   GLN  49          3HG       GLN  49   7.358  -0.968  -5.653
  413   1HE2  GLN  49          1HE       GLN  49   9.448  -0.415  -6.388
  414   2HE2  GLN  49          2HE       GLN  49  10.350   0.904  -5.641
  415    H    ALA  50           H        ALA  50   4.768   3.573  -4.957
  416    HA   ALA  50           HA       ALA  50   2.182   3.061  -4.200
  417   1HB   ALA  50          1HB       ALA  50   1.676   5.356  -5.088
  418   2HB   ALA  50          2HB       ALA  50   2.966   5.224  -3.917
  419   3HB   ALA  50          3HB       ALA  50   3.379   5.395  -5.646
  420    H    GLY  51           H        GLY  51   0.200   2.931  -5.180
  421   1HA   GLY  51          2HA       GLY  51  -1.291   2.090  -6.694
  422   2HA   GLY  51          3HA       GLY  51  -0.482   3.097  -7.899
  423    H    GLY  52           H        GLY  52   1.369   0.538  -6.166
  424   1HA   GLY  52          2HA       GLY  52   1.384  -1.151  -8.576
  425   2HA   GLY  52          3HA       GLY  52   2.864  -0.334  -8.007
  426    H    ASP  53           H        ASP  53   3.233  -2.908  -7.983
  427    HA   ASP  53           HA       ASP  53   2.124  -4.111  -5.542
  428   1HB   ASP  53          2HB       ASP  53   2.688  -5.130  -8.068
  429   2HB   ASP  53          3HB       ASP  53   4.063  -5.691  -7.124
  430    H    ALA  54           H        ALA  54   3.113  -3.208  -3.819
  431    HA   ALA  54           HA       ALA  54   6.087  -3.032  -3.889
  432   1HB   ALA  54          1HB       ALA  54   5.945  -1.481  -2.290
  433   2HB   ALA  54          2HB       ALA  54   4.237  -1.329  -2.771
  434   3HB   ALA  54          3HB       ALA  54   4.694  -2.331  -1.382
  435    H    THR  55           H        THR  55   3.648  -5.314  -3.133
  436    HA   THR  55           HA       THR  55   4.425  -6.380  -0.742
  437    HB   THR  55           HB       THR  55   3.653  -8.163  -3.070
  438    HG1  THR  55          1HG       THR  55   2.142  -6.689  -3.416
  439   1HG2  THR  55          1HG       THR  55   3.914  -9.032  -0.704
  440   2HG2  THR  55          2HG       THR  55   2.667  -7.868  -0.204
  441   3HG2  THR  55          3HG       THR  55   2.254  -9.184  -1.336
  442    H    GLU  56           H        GLU  56   5.896  -7.061  -3.923
  443    HA   GLU  56           HA       GLU  56   7.756  -8.970  -3.033
  444   1HB   GLU  56          2HB       GLU  56   8.171  -6.793  -5.133
  445   2HB   GLU  56          3HB       GLU  56   9.201  -8.208  -4.890
  446   1HG   GLU  56          2HG       GLU  56   7.891  -9.136  -6.491
  447   2HG   GLU  56          3HG       GLU  56   6.822  -9.484  -5.128
  448    H    ASN  57           H        ASN  57   8.002  -5.385  -2.925
  449    HA   ASN  57           HA       ASN  57  10.718  -5.329  -1.942
  450   1HB   ASN  57          2HB       ASN  57   8.488  -3.327  -2.128
  451   2HB   ASN  57          3HB       ASN  57   9.593  -3.109  -0.779
  452   1HD2  ASN  57          1HD       ASN  57   9.571  -3.519  -4.358
  453   2HD2  ASN  57          2HD       ASN  57  11.061  -2.598  -4.547
  454    H    PHE  58           H        PHE  58   7.630  -4.886  -0.214
  455    HA   PHE  58           HA       PHE  58   8.579  -4.938   2.390
  456   1HB   PHE  58          2HB       PHE  58   6.313  -4.533   2.114
  457   2HB   PHE  58          3HB       PHE  58   6.050  -5.989   1.154
  458    HD1  PHE  58          1HD       PHE  58   6.184  -8.247   2.251
  459    HD2  PHE  58          2HD       PHE  58   5.781  -4.593   4.483
  460    HE1  PHE  58          1HE       PHE  58   5.607  -9.566   4.256
  461    HE2  PHE  58          2HE       PHE  58   5.040  -5.902   6.461
  462    HZ   PHE  58           HZ       PHE  58   5.030  -8.402   6.353
  463    H    GLU  59           H        GLU  59   7.962  -7.878   0.433
  464    HA   GLU  59           HA       GLU  59   8.643  -9.738   2.548
  465   1HB   GLU  59          2HB       GLU  59   7.944  -9.793  -0.359
  466   2HB   GLU  59          3HB       GLU  59   8.908 -11.146   0.193
  467   1HG   GLU  59          2HG       GLU  59   6.436 -10.332   1.754
  468   2HG   GLU  59          3HG       GLU  59   6.280 -11.263   0.269
  469    H    ASP  60           H        ASP  60  10.443  -8.204  -0.112
  470    HA   ASP  60           HA       ASP  60  12.831  -9.770   0.102
  471   1HB   ASP  60          2HB       ASP  60  11.885  -7.440  -1.406
  472   2HB   ASP  60          3HB       ASP  60  13.447  -7.079  -0.738
  473    H    VAL  61           H        VAL  61  11.657  -6.833   1.645
  474    HA   VAL  61           HA       VAL  61  14.100  -6.053   2.946
  475    HB   VAL  61           HB       VAL  61  11.172  -5.442   3.564
  476   1HG1  VAL  61          1HG       VAL  61  11.957  -3.566   4.928
  477   2HG1  VAL  61          2HG       VAL  61  12.606  -5.072   5.586
  478   3HG1  VAL  61          3HG       VAL  61  13.649  -4.015   4.615
  479   1HG2  VAL  61          1HG       VAL  61  11.543  -3.289   2.521
  480   2HG2  VAL  61          2HG       VAL  61  13.270  -3.635   2.285
  481   3HG2  VAL  61          3HG       VAL  61  12.065  -4.518   1.365
  482    H    GLY  62           H        GLY  62  11.189  -7.981   3.983
  483   1HA   GLY  62          2HA       GLY  62  11.421  -9.909   5.381
  484   2HA   GLY  62          3HA       GLY  62  13.001  -9.329   5.930
  485    H    HIS  63           HN       HIS  63  10.089  -7.321   5.622
  486    HA   HIS  63           HA       HIS  63  10.468  -5.800   7.767
  487   1HB   HIS  63          2HB       HIS  63   7.980  -6.682   6.319
  488   2HB   HIS  63          3HB       HIS  63   7.738  -5.774   7.793
  489    HD1  HIS  63           HND      HIS  63   9.071  -5.313   4.292
  490    HD2  HIS  63           HD       HIS  63   8.201  -3.151   7.780
  491    HE1  HIS  63           HE       HIS  63   9.055  -2.870   3.616
  492    H    SER  64           H        SER  64   9.571  -5.514   9.887
  493    HA   SER  64           HA       SER  64   9.475  -7.864  11.517
  494   1HB   SER  64          2HB       SER  64   9.092  -6.103  13.261
  495   2HB   SER  64          3HB       SER  64  10.463  -5.698  12.203
  496    HG   SER  64           HG       SER  64   8.470  -4.158  12.633
  497    H    THR  65           H        THR  65   7.611  -8.003  13.221
  498    HA   THR  65           HA       THR  65   5.157  -8.349  11.848
  499    HB   THR  65           HB       THR  65   6.037  -8.513  14.752
  500    HG1  THR  65          1HG       THR  65   5.574 -10.513  12.798
  501   1HG2  THR  65          1HG       THR  65   3.721  -8.362  14.948
  502   2HG2  THR  65          2HG       THR  65   3.415  -9.179  13.399
  503   3HG2  THR  65          3HG       THR  65   3.981 -10.114  14.812
  504    H    ASP  66           H        ASP  66   6.290  -5.830  14.190
  505    HA   ASP  66           HA       ASP  66   3.875  -4.473  14.577
  506   1HB   ASP  66          2HB       ASP  66   6.776  -3.846  14.678
  507   2HB   ASP  66          3HB       ASP  66   5.788  -2.445  14.291
  508    H    ALA  67           H        ALA  67   5.925  -4.585  11.708
  509    HA   ALA  67           HA       ALA  67   4.497  -2.390  10.390
  510   1HB   ALA  67          1HB       ALA  67   5.869  -3.667   8.421
  511   2HB   ALA  67          2HB       ALA  67   6.547  -2.473   9.521
  512   3HB   ALA  67          3HB       ALA  67   6.821  -4.158   9.867
  513    H    ARG  68           H        ARG  68   4.442  -5.983  10.405
  514    HA   ARG  68           HA       ARG  68   2.771  -6.325   8.175
  515   1HB   ARG  68          2HB       ARG  68   3.251  -7.926  10.605
  516   2HB   ARG  68          3HB       ARG  68   1.683  -8.156   9.848
  517   1HG   ARG  68          2HG       ARG  68   2.579  -9.442   8.330
  518   2HG   ARG  68          3HG       ARG  68   3.398  -8.091   7.631
  519   1HD   ARG  68          2HD       ARG  68   5.431  -8.491   8.778
  520   2HD   ARG  68          3HD       ARG  68   4.653  -9.496  10.004
  521    HE   ARG  68           HE       ARG  68   5.669 -10.371   7.479
  522   1HH1  ARG  68          2HH       ARG  68   3.099 -10.914   9.833
  523   2HH1  ARG  68          1HH       ARG  68   2.780 -12.551   9.389
  524   1HH2  ARG  68          2HH       ARG  68   5.221 -12.566   6.788
  525   2HH2  ARG  68          1HH       ARG  68   4.025 -13.507   7.600
  526    H    GLU  69           H        GLU  69   2.187  -5.182  11.590
  527    HA   GLU  69           HA       GLU  69  -0.694  -5.286  11.626
  528   1HB   GLU  69          2HB       GLU  69   1.461  -4.085  13.379
  529   2HB   GLU  69          3HB       GLU  69  -0.164  -3.426  13.508
  530   1HG   GLU  69          2HG       GLU  69  -1.010  -5.795  13.813
  531   2HG   GLU  69          3HG       GLU  69   0.684  -6.302  13.950
  532    H    LEU  70           H        LEU  70   1.449  -2.293  11.450
  533    HA   LEU  70           HA       LEU  70  -0.584  -0.565  10.930
  534   1HB   LEU  70          2HB       LEU  70   2.347  -0.712  10.414
  535   2HB   LEU  70          3HB       LEU  70   1.442   0.428   9.468
  536    HG   LEU  70           HG       LEU  70   2.279   1.739  11.091
  537   1HD1  LEU  70          1HD       LEU  70  -0.363   0.995  12.340
  538   2HD1  LEU  70          2HD       LEU  70   0.479   2.570  12.398
  539   3HD1  LEU  70          3HD       LEU  70  -0.195   1.997  10.870
  540   1HD2  LEU  70          1HD       LEU  70   3.237   0.361  12.614
  541   2HD2  LEU  70          2HD       LEU  70   1.872   1.012  13.574
  542   3HD2  LEU  70          3HD       LEU  70   1.750  -0.606  12.853
  543    H    SER  71           H        SER  71   0.762  -2.891   8.637
  544    HA   SER  71           HA       SER  71  -0.493  -2.183   6.116
  545   1HB   SER  71          2HB       SER  71   0.547  -4.084   5.653
  546   2HB   SER  71          3HB       SER  71   0.956  -4.303   7.313
  547    HG   SER  71           HG       SER  71  -0.372  -5.864   7.355
  548    H    LYS  72           H        LYS  72  -1.892  -3.928   8.812
  549    HA   LYS  72           HA       LYS  72  -4.416  -4.002   7.475
  550   1HB   LYS  72          2HB       LYS  72  -3.142  -5.279   9.624
  551   2HB   LYS  72          3HB       LYS  72  -4.327  -4.281  10.447
  552   1HG   LYS  72          2HG       LYS  72  -5.049  -5.981   8.004
  553   2HG   LYS  72          3HG       LYS  72  -4.998  -6.682   9.624
  554   1HD   LYS  72          2HD       LYS  72  -6.667  -5.160  10.446
  555   2HD   LYS  72          3HD       LYS  72  -6.702  -4.246   8.922
  556   1HE   LYS  72          2HE       LYS  72  -7.815  -5.883   7.751
  557   2HE   LYS  72          3HE       LYS  72  -7.101  -7.189   8.711
  558   1HZ   LYS  72          1HZ       LYS  72  -9.221  -7.196   9.471
  559   2HZ   LYS  72          2HZ       LYS  72  -8.560  -6.165  10.565
  560   3HZ   LYS  72          3HZ       LYS  72  -9.449  -5.571   9.313
  561    H    THR  73           H        THR  73  -2.844  -1.627   9.616
  562    HA   THR  73           HA       THR  73  -5.362  -0.191  10.024
  563    HB   THR  73           HB       THR  73  -4.112   1.276  11.409
  564    HG1  THR  73          1HG       THR  73  -2.415   1.648   9.899
  565   1HG2  THR  73          1HG       THR  73  -4.236  -1.134  12.239
  566   2HG2  THR  73          2HG       THR  73  -2.565  -1.318  11.677
  567   3HG2  THR  73          3HG       THR  73  -2.931  -0.137  12.926
  568    H    PHE  74           H        PHE  74  -3.223  -0.503   7.407
  569    HA   PHE  74           HA       PHE  74  -3.888   2.176   6.306
  570   1HB   PHE  74          2HB       PHE  74  -1.840   0.112   5.499
  571   2HB   PHE  74          3HB       PHE  74  -2.071   1.704   4.761
  572    HD1  PHE  74          1HD       PHE  74   0.450   0.524   5.901
  573    HD2  PHE  74          2HD       PHE  74  -2.576   3.100   7.623
  574    HE1  PHE  74          1HE       PHE  74   2.111   1.535   7.388
  575    HE2  PHE  74          2HE       PHE  74  -0.926   3.929   9.256
  576    HZ   PHE  74           HZ       PHE  74   1.390   3.081   9.166
  577    H    ILE  75           H        ILE  75  -5.049  -1.016   6.193
  578    HA   ILE  75           HA       ILE  75  -5.660  -1.095   3.427
  579    HB   ILE  75           HB       ILE  75  -6.079  -2.668   5.795
  580   1HG1  ILE  75          2HG       ILE  75  -7.070  -3.604   3.150
  581   2HG1  ILE  75          3HG       ILE  75  -5.406  -3.110   3.241
  582   1HG2  ILE  75          1HG       ILE  75  -8.400  -1.901   5.956
  583   2HG2  ILE  75          2HG       ILE  75  -8.660  -2.316   4.228
  584   3HG2  ILE  75          3HG       ILE  75  -8.330  -3.585   5.422
  585   1HD1  ILE  75          1HD       ILE  75  -4.927  -4.638   5.075
  586   2HD1  ILE  75          2HD       ILE  75  -6.639  -5.117   5.167
  587   3HD1  ILE  75          3HD       ILE  75  -5.671  -5.526   3.743
  588    H    ILE  76           H        ILE  76  -6.954   0.072   2.276
  589    HA   ILE  76           HA       ILE  76  -9.244   1.474   3.583
  590    HB   ILE  76           HB       ILE  76  -9.036   3.209   1.876
  591   1HG1  ILE  76          2HG       ILE  76  -6.712   3.265   0.646
  592   2HG1  ILE  76          3HG       ILE  76  -6.668   1.541   0.906
  593   1HG2  ILE  76          1HG       ILE  76  -7.202   4.343   2.788
  594   2HG2  ILE  76          2HG       ILE  76  -7.931   3.376   4.086
  595   3HG2  ILE  76          3HG       ILE  76  -6.427   2.823   3.316
  596   1HD1  ILE  76          1HD       ILE  76  -9.026   3.008  -0.306
  597   2HD1  ILE  76          2HD       ILE  76  -7.634   2.503  -1.258
  598   3HD1  ILE  76          3HD       ILE  76  -8.618   1.268  -0.489
  599    H    GLY  77           H        GLY  77  -8.573  -1.200   1.863
  600   1HA   GLY  77          2HA       GLY  77 -11.092  -1.872   1.256
  601   2HA   GLY  77          3HA       GLY  77 -10.525  -1.080  -0.244
  602    H    GLU  78           H        GLU  78 -11.080  -3.629  -0.644
  603    HA   GLU  78           HA       GLU  78  -8.473  -5.024  -0.619
  604   1HB   GLU  78          2HB       GLU  78 -10.003  -7.099  -0.905
  605   2HB   GLU  78          3HB       GLU  78  -9.713  -6.445   0.708
  606   1HG   GLU  78          2HG       GLU  78 -11.868  -5.306   0.730
  607   2HG   GLU  78          3HG       GLU  78 -12.204  -5.814  -0.932
  608    H    LEU  79           H        LEU  79  -7.979  -6.027  -2.629
  609    HA   LEU  79           HA       LEU  79  -8.655  -4.570  -4.957
  610   1HB   LEU  79          2HB       LEU  79  -7.116  -7.024  -4.159
  611   2HB   LEU  79          3HB       LEU  79  -7.796  -7.063  -5.773
  612    HG   LEU  79           HG       LEU  79  -6.752  -4.968  -6.348
  613   1HD1  LEU  79          1HD       LEU  79  -5.666  -3.577  -4.997
  614   2HD1  LEU  79          2HD       LEU  79  -6.624  -4.329  -3.730
  615   3HD1  LEU  79          3HD       LEU  79  -4.964  -4.847  -3.970
  616   1HD2  LEU  79          1HD       LEU  79  -4.351  -5.673  -6.295
  617   2HD2  LEU  79          2HD       LEU  79  -4.755  -6.901  -5.080
  618   3HD2  LEU  79          3HD       LEU  79  -5.407  -7.038  -6.716
  619    H    HIS  80           H        HIS  80 -10.061  -5.079  -6.674
  620    HA   HIS  80           HA       HIS  80 -12.577  -6.052  -6.002
  621   1HB   HIS  80          2HB       HIS  80 -11.183  -5.336  -8.511
  622   2HB   HIS  80          3HB       HIS  80 -12.406  -6.573  -8.744
  623    HD1  HIS  80           HD1      HIS  80 -14.461  -5.271  -9.688
  624    HD2  HIS  80           HD2      HIS  80 -12.500  -3.433  -6.466
  625    HE1  HIS  80           HE1      HIS  80 -15.778  -3.130  -9.151
  626    HA   PRO  81           HA       PRO  81 -12.406 -10.365  -6.041
  627   1HB   PRO  81          2HB       PRO  81 -14.992 -11.057  -6.788
  628   2HB   PRO  81          3HB       PRO  81 -14.568 -10.371  -5.204
  629   1HG   PRO  81          2HG       PRO  81 -15.850  -9.004  -7.521
  630   2HG   PRO  81          3HG       PRO  81 -16.014  -8.688  -5.766
  631   1HD   PRO  81          2HD       PRO  81 -14.413  -7.241  -7.587
  632   2HD   PRO  81          3HD       PRO  81 -14.293  -7.186  -5.807
  633    H    ASP  82           H        ASP  82 -10.914 -10.543  -7.621
  634    HA   ASP  82           HA       ASP  82 -11.137 -12.380  -9.620
  635   1HB   ASP  82          2HB       ASP  82 -11.994  -9.675 -10.649
  636   2HB   ASP  82          3HB       ASP  82 -10.865 -10.584 -11.635
  637    H    ASP  83           H        ASP  83  -9.679  -9.291  -8.548
  638    HA   ASP  83           HA       ASP  83  -7.320  -9.614 -10.097
  639   1HB   ASP  83          2HB       ASP  83  -7.372  -8.095  -7.505
  640   2HB   ASP  83          3HB       ASP  83  -6.482  -7.735  -8.963
  641    H    ARG  84           H        ARG  84  -8.401 -11.032  -7.142
  642    HA   ARG  84           HA       ARG  84  -5.679 -11.970  -6.426
  643   1HB   ARG  84          2HB       ARG  84  -7.399 -10.821  -4.807
  644   2HB   ARG  84          3HB       ARG  84  -8.252 -12.367  -4.906
  645   1HG   ARG  84          2HG       ARG  84  -5.755 -13.315  -4.375
  646   2HG   ARG  84          3HG       ARG  84  -5.562 -11.747  -3.663
  647   1HD   ARG  84          2HD       ARG  84  -6.980 -12.211  -1.909
  648   2HD   ARG  84          3HD       ARG  84  -8.052 -13.212  -2.905
  649    HE   ARG  84           HE       ARG  84  -5.528 -14.482  -2.685
  650   1HH1  ARG  84          2HH       ARG  84  -8.341 -13.755  -0.716
  651   2HH1  ARG  84          1HH       ARG  84  -8.207 -15.139   0.314
  652   1HH2  ARG  84          2HH       ARG  84  -5.303 -16.359  -1.367
  653   2HH2  ARG  84          1HH       ARG  84  -6.396 -16.671  -0.072
  654    H    SER  85           H        SER  85  -8.454 -13.006  -8.189
  655    HA   SER  85           HA       SER  85  -9.139 -15.038  -8.934
  656   1HB   SER  85          2HB       SER  85  -6.249 -15.296  -8.601
  657   2HB   SER  85          3HB       SER  85  -7.044 -16.845  -8.321
  658    HG   SER  85           HG       SER  85  -7.366 -15.124 -10.565
  659    H    LYS  86           H        LYS  86  -9.612 -14.196  -6.125
  660    HA   LYS  86           HA       LYS  86 -10.716 -16.759  -5.240
  661   1HB   LYS  86          2HB       LYS  86  -8.639 -15.199  -3.705
  662   2HB   LYS  86          3HB       LYS  86  -9.963 -15.917  -2.788
  663   1HG   LYS  86          2HG       LYS  86  -9.095 -18.008  -4.494
  664   2HG   LYS  86          3HG       LYS  86  -7.622 -17.210  -3.946
  665   1HD   LYS  86          2HD       LYS  86  -8.010 -18.830  -2.314
  666   2HD   LYS  86          3HD       LYS  86  -8.659 -17.383  -1.549
  667   1HE   LYS  86          2HE       LYS  86 -10.665 -18.814  -3.202
  668   2HE   LYS  86          3HE       LYS  86  -9.924 -19.871  -2.002
  669   1HZ   LYS  86          1HZ       LYS  86 -11.726 -18.977  -0.938
  670   2HZ   LYS  86          2HZ       LYS  86 -10.508 -18.050  -0.360
  671   3HZ   LYS  86          3HZ       LYS  86 -11.527 -17.462  -1.527
  672    H    LEU  87           H        LEU  87 -10.423 -13.899  -3.258
  673    HA   LEU  87           HA       LEU  87 -12.135 -12.980  -2.023
  674   1HB   LEU  87          2HB       LEU  87 -12.718 -12.268  -4.918
  675   2HB   LEU  87          3HB       LEU  87 -13.719 -11.664  -3.617
  676    HG   LEU  87           HG       LEU  87 -11.296 -11.183  -2.518
  677   1HD1  LEU  87          1HD       LEU  87 -10.448 -10.039  -5.045
  678   2HD1  LEU  87          2HD       LEU  87  -9.588 -10.970  -3.844
  679   3HD1  LEU  87          3HD       LEU  87 -10.522 -11.810  -5.116
  680   1HD2  LEU  87          1HD       LEU  87 -12.132  -8.935  -4.240
  681   2HD2  LEU  87          2HD       LEU  87 -13.438  -9.628  -3.283
  682   3HD2  LEU  87          3HD       LEU  87 -11.980  -9.060  -2.492
  683    H    SER  88           H        SER  88 -14.880 -12.546  -2.418
  684    HA   SER  88           HA       SER  88 -16.294 -14.736  -3.314
  685   1HB   SER  88          2HB       SER  88 -15.052 -15.401  -0.890
  686   2HB   SER  88          3HB       SER  88 -16.648 -14.853  -0.370
  687    HG   SER  88           HG       SER  88 -16.029 -16.822  -2.316
  688    H    LYS  89           H        LYS  89 -18.552 -14.651  -1.880
  689    HA   LYS  89           HA       LYS  89 -19.372 -11.820  -2.111
  690   1HB   LYS  89          2HB       LYS  89 -21.643 -12.668  -2.148
  691   2HB   LYS  89          3HB       LYS  89 -20.651 -13.521  -3.315
  692   1HG   LYS  89          2HG       LYS  89 -21.513 -15.430  -2.436
  693   2HG   LYS  89          3HG       LYS  89 -20.390 -15.183  -1.106
  694   1HD   LYS  89          2HD       LYS  89 -22.371 -13.561  -0.268
  695   2HD   LYS  89          3HD       LYS  89 -23.349 -14.659  -1.245
  696   1HE   LYS  89          2HE       LYS  89 -22.830 -16.513   0.111
  697   2HE   LYS  89          3HE       LYS  89 -21.329 -15.776   0.710
  698   1HZ   LYS  89          1HZ       LYS  89 -22.378 -14.790   2.334
  699   2HZ   LYS  89          2HZ       LYS  89 -23.569 -14.209   1.404
  700   3HZ   LYS  89          3HZ       LYS  89 -23.700 -15.745   2.023
  701    HA   PRO  90           HA       PRO  90 -19.063 -11.568   2.315
  702   1HB   PRO  90          2HB       PRO  90 -20.444  -9.163   2.714
  703   2HB   PRO  90          3HB       PRO  90 -18.738  -9.331   2.227
  704   1HG   PRO  90          2HG       PRO  90 -21.089  -8.590   0.554
  705   2HG   PRO  90          3HG       PRO  90 -19.362  -8.186   0.336
  706   1HD   PRO  90          2HD       PRO  90 -20.822 -10.192  -1.037
  707   2HD   PRO  90          3HD       PRO  90 -19.043  -9.996  -1.019
  708    H    MET  91           H        MET  91 -20.733 -10.983   4.264
  709    HA   MET  91           HA       MET  91 -23.343 -12.256   3.644
  710   1HB   MET  91          2HB       MET  91 -23.279 -13.422   5.767
  711   2HB   MET  91          3HB       MET  91 -21.931 -13.950   4.760
  712   1HG   MET  91          2HG       MET  91 -20.348 -13.091   6.161
  713   2HG   MET  91          3HG       MET  91 -21.306 -11.692   6.621
  714   1HE   MET  91          1HE       MET  91 -23.094 -11.533   8.118
  715   2HE   MET  91          2HE       MET  91 -23.327 -12.534   9.569
  716   3HE   MET  91          3HE       MET  91 -21.850 -11.562   9.389
  717    H    GLU  92           H        GLU  92 -25.056 -11.598   5.216
  718    HA   GLU  92           HA       GLU  92 -24.444  -9.348   6.923
  719   1HB   GLU  92          2HB       GLU  92 -26.061  -7.848   5.878
  720   2HB   GLU  92          3HB       GLU  92 -24.767  -8.251   4.763
  721   1HG   GLU  92          2HG       GLU  92 -26.350  -8.710   3.250
  722   2HG   GLU  92          3HG       GLU  92 -26.645 -10.205   4.128
  723    H    THR  93           H        THR  93 -26.749  -8.690   7.962
  724    HA   THR  93           HA       THR  93 -28.543 -10.951   8.114
  725    HB   THR  93           HB       THR  93 -26.753 -11.490   9.756
  726    HG1  THR  93          1HG       THR  93 -28.770 -12.231  10.204
  727   1HG2  THR  93          1HG       THR  93 -27.650  -9.092  11.380
  728   2HG2  THR  93          2HG       THR  93 -26.324 -10.212  11.712
  729   3HG2  THR  93          3HG       THR  93 -26.199  -9.069  10.361
  730    H    LEU  94           H        LEU  94 -30.226 -10.208   9.918
  731    HA   LEU  94           HA       LEU  94 -31.479  -7.773   8.934
  732   1HB   LEU  94          2HB       LEU  94 -32.425 -10.107   9.957
  733   2HB   LEU  94          3HB       LEU  94 -32.306  -9.207  11.458
  734    HG   LEU  94           HG       LEU  94 -34.536  -9.219  10.469
  735   1HD1  LEU  94          1HD       LEU  94 -33.522  -6.372  10.268
  736   2HD1  LEU  94          2HD       LEU  94 -35.142  -6.934  10.718
  737   3HD1  LEU  94          3HD       LEU  94 -33.759  -7.213  11.806
  738   1HD2  LEU  94          1HD       LEU  94 -33.549  -9.188   8.044
  739   2HD2  LEU  94          2HD       LEU  94 -35.119  -8.427   8.370
  740   3HD2  LEU  94          3HD       LEU  94 -33.661  -7.426   8.206
  741    HHA  HEM  95          MHG       HEM  95  12.015  -0.600   8.582
  742    HHB  HEM  95          MHD       HEM  95   5.643  -0.291   9.367
  743    HHC  HEM  95          MHA       HEM  95   4.921  -0.802   3.010
  744    HHD  HEM  95          MHB       HEM  95  11.231  -0.155   2.205
  745   1HMA  HEM  95          1HM       HEM  95   6.889  -1.525  11.449
  746   2HMA  HEM  95          2HM       HEM  95   8.192  -0.661  12.247
  747   3HMA  HEM  95          3HM       HEM  95   6.891   0.244  11.471
  748   1HAA  HEM  95          1HP       HEM  95  10.268  -0.967  11.938
  749   2HAA  HEM  95          2HP       HEM  95  11.469  -0.266  10.869
  750   1HBA  HEM  95          3HP       HEM  95  11.866  -2.464   9.822
  751   2HBA  HEM  95          4HP       HEM  95  10.549  -3.170  10.749
  752   1HMB  HEM  95          1HM       HEM  95   3.481  -1.426   8.682
  753   2HMB  HEM  95          2HM       HEM  95   3.391   0.322   8.562
  754   3HMB  HEM  95          3HM       HEM  95   2.288  -0.725   7.574
  755    HAB  HEM  95          AHT       HEM  95   2.840  -0.666   3.865
  756   1HBB  HEM  95          CHV       HEM  95   2.412  -2.720   5.975
  757   2HBB  HEM  95          THV       HEM  95   1.137  -1.980   4.827
  758   1HMC  HEM  95          1HM       HEM  95   5.352  -0.211   0.809
  759   2HMC  HEM  95          2HM       HEM  95   6.561  -0.755  -0.350
  760   3HMC  HEM  95          3HM       HEM  95   5.868  -1.923   0.771
  761    HAC  HEM  95          AHT       HEM  95  10.375  -0.598   0.182
  762   1HBC  HEM  95          THV       HEM  95   9.504   0.432  -1.726
  763   2HBC  HEM  95          CHV       HEM  95   7.915   0.850  -0.862
  764   1HMD  HEM  95          1HM       HEM  95  13.225   0.610   2.700
  765   2HMD  HEM  95          2HM       HEM  95  14.421   0.695   3.984
  766   3HMD  HEM  95          3HM       HEM  95  14.023  -0.878   3.253
  767   1HAD  HEM  95          1HP       HEM  95  13.830   0.254   7.726
  768   2HAD  HEM  95          2HP       HEM  95  14.530   0.825   6.239
  769   1HBD  HEM  95          3HP       HEM  95  15.894  -0.958   6.209
  770   2HBD  HEM  95          4HP       HEM  95  14.494  -2.007   5.971
  Start of MODEL    9
    1   1H    ASP   1           H1       ASP   1 -19.186   2.541   7.110
    2   2H    ASP   1           H2       ASP   1 -17.952   2.628   6.054
    3   3H    ASP   1           H3       ASP   1 -18.940   3.954   6.249
    4    HA   ASP   1           HA       ASP   1 -20.698   2.921   5.129
    5   1HB   ASP   1          2HB       ASP   1 -18.505   3.573   3.862
    6   2HB   ASP   1          3HB       ASP   1 -18.269   1.829   3.669
    7    H    LYS   2           H        LYS   2 -21.904   0.829   4.908
    8    HA   LYS   2           HA       LYS   2 -20.941  -1.101   6.931
    9   1HB   LYS   2          2HB       LYS   2 -23.263  -1.179   4.966
   10   2HB   LYS   2          3HB       LYS   2 -22.857  -2.550   6.007
   11   1HG   LYS   2          2HG       LYS   2 -23.366  -1.401   8.007
   12   2HG   LYS   2          3HG       LYS   2 -23.273   0.177   7.229
   13   1HD   LYS   2          2HD       LYS   2 -25.513   0.091   7.227
   14   2HD   LYS   2          3HD       LYS   2 -25.324  -0.886   5.779
   15   1HE   LYS   2          2HE       LYS   2 -26.277  -2.666   6.776
   16   2HE   LYS   2          3HE       LYS   2 -25.102  -2.616   8.095
   17   1HZ   LYS   2          1HZ       LYS   2 -27.270  -2.327   8.985
   18   2HZ   LYS   2          2HZ       LYS   2 -26.504  -0.878   9.112
   19   3HZ   LYS   2          3HZ       LYS   2 -27.636  -1.111   7.939
   20    H    ASP   3           H        ASP   3 -21.052  -0.829   3.414
   21    HA   ASP   3           HA       ASP   3 -19.764  -3.314   2.813
   22   1HB   ASP   3          2HB       ASP   3 -20.159  -0.659   1.375
   23   2HB   ASP   3          3HB       ASP   3 -19.237  -1.979   0.652
   24    H    VAL   4           H        VAL   4 -17.539  -3.008   1.500
   25    HA   VAL   4           HA       VAL   4 -15.667  -1.917   3.527
   26    HB   VAL   4           HB       VAL   4 -15.044  -3.833   1.269
   27   1HG1  VAL   4          1HG       VAL   4 -12.983  -4.029   2.270
   28   2HG1  VAL   4          2HG       VAL   4 -13.367  -2.465   3.027
   29   3HG1  VAL   4          3HG       VAL   4 -13.660  -3.963   3.905
   30   1HG2  VAL   4          1HG       VAL   4 -16.791  -4.948   2.507
   31   2HG2  VAL   4          2HG       VAL   4 -15.244  -5.647   2.987
   32   3HG2  VAL   4          3HG       VAL   4 -16.061  -4.482   4.059
   33    H    LYS   5           H        LYS   5 -13.937  -2.286   0.872
   34    HA   LYS   5           HA       LYS   5 -14.580   0.373  -0.284
   35   1HB   LYS   5          2HB       LYS   5 -12.129  -0.363   1.017
   36   2HB   LYS   5          3HB       LYS   5 -11.820  -0.032  -0.698
   37   1HG   LYS   5          2HG       LYS   5 -11.682   2.127   0.048
   38   2HG   LYS   5          3HG       LYS   5 -13.382   2.075  -0.284
   39   1HD   LYS   5          2HD       LYS   5 -13.083   1.113   2.406
   40   2HD   LYS   5          3HD       LYS   5 -11.915   2.428   2.226
   41   1HE   LYS   5          2HE       LYS   5 -14.251   3.359   0.940
   42   2HE   LYS   5          3HE       LYS   5 -14.861   2.481   2.347
   43   1HZ   LYS   5          1HZ       LYS   5 -13.429   3.853   3.722
   44   2HZ   LYS   5          2HZ       LYS   5 -12.817   4.618   2.397
   45   3HZ   LYS   5          3HZ       LYS   5 -14.400   4.817   2.798
   46    H    TYR   6           H        TYR   6 -12.708  -2.563  -0.898
   47    HA   TYR   6           HA       TYR   6 -12.189  -3.680  -2.791
   48   1HB   TYR   6          2HB       TYR   6 -15.153  -3.340  -2.664
   49   2HB   TYR   6          3HB       TYR   6 -14.449  -3.967  -4.132
   50    HD1  TYR   6           HD1      TYR   6 -13.134  -4.690  -0.674
   51    HD2  TYR   6           HD2      TYR   6 -15.300  -6.139  -4.111
   52    HE1  TYR   6           HE1      TYR   6 -12.988  -6.996   0.209
   53    HE2  TYR   6           HE2      TYR   6 -15.143  -8.448  -3.238
   54    HH   TYR   6           HH       TYR   6 -13.977  -9.821  -1.661
   55    H    TYR   7           H        TYR   7 -10.650  -2.264  -3.938
   56    HA   TYR   7           HA       TYR   7 -11.945  -0.470  -5.889
   57   1HB   TYR   7          2HB       TYR   7  -9.336  -0.563  -4.371
   58   2HB   TYR   7          3HB       TYR   7  -9.469   0.305  -5.852
   59    HD1  TYR   7           HD1      TYR   7  -9.380   0.806  -2.502
   60    HD2  TYR   7           HD2      TYR   7 -11.896   1.793  -5.856
   61    HE1  TYR   7           HE1      TYR   7 -10.126   2.849  -1.336
   62    HE2  TYR   7           HE2      TYR   7 -12.672   3.817  -4.696
   63    HH   TYR   7           HH       TYR   7 -12.023   5.324  -2.907
   64    H    THR   8           H        THR   8 -10.632  -0.281  -7.942
   65    HA   THR   8           HA       THR   8 -10.117  -3.033  -8.949
   66    HB   THR   8           HB       THR   8 -10.592  -1.995 -11.153
   67    HG1  THR   8          1HG       THR   8 -11.569   0.309  -9.922
   68   1HG2  THR   8          1HG       THR   8 -12.451  -2.980  -9.998
   69   2HG2  THR   8          2HG       THR   8 -12.750  -1.508  -9.044
   70   3HG2  THR   8          3HG       THR   8 -13.020  -1.508 -10.801
   71    H    LEU   9           H        LEU   9  -8.233  -3.233 -10.449
   72    HA   LEU   9           HA       LEU   9  -5.922  -1.935  -9.425
   73   1HB   LEU   9          2HB       LEU   9  -6.225  -3.111 -12.221
   74   2HB   LEU   9          3HB       LEU   9  -4.729  -2.759 -11.371
   75    HG   LEU   9           HG       LEU   9  -4.977  -5.045 -11.126
   76   1HD1  LEU   9          1HD       LEU   9  -4.475  -3.992  -8.936
   77   2HD1  LEU   9          2HD       LEU   9  -6.216  -3.934  -8.570
   78   3HD1  LEU   9          3HD       LEU   9  -5.419  -5.493  -8.788
   79   1HD2  LEU   9          1HD       LEU   9  -7.617  -4.809 -11.698
   80   2HD2  LEU   9          2HD       LEU   9  -6.839  -6.229 -11.028
   81   3HD2  LEU   9          3HD       LEU   9  -7.713  -5.141  -9.943
   82    H    GLU  10           H        GLU  10  -7.895  -1.142 -12.312
   83    HA   GLU  10           HA       GLU  10  -6.197   0.901 -13.235
   84   1HB   GLU  10          2HB       GLU  10  -8.381  -0.280 -14.225
   85   2HB   GLU  10          3HB       GLU  10  -9.178   1.149 -13.544
   86   1HG   GLU  10          2HG       GLU  10  -7.274   2.491 -14.764
   87   2HG   GLU  10          3HG       GLU  10  -6.965   0.981 -15.631
   88    H    GLU  11           H        GLU  11  -8.429   0.874 -10.527
   89    HA   GLU  11           HA       GLU  11  -8.473   3.753 -10.185
   90   1HB   GLU  11          2HB       GLU  11 -10.322   2.134  -9.587
   91   2HB   GLU  11          3HB       GLU  11  -9.307   1.511  -8.283
   92   1HG   GLU  11          2HG       GLU  11 -10.983   3.016  -7.476
   93   2HG   GLU  11          3HG       GLU  11  -9.387   3.624  -7.148
   94    H    ILE  12           H        ILE  12  -6.844   0.951  -8.395
   95    HA   ILE  12           HA       ILE  12  -5.501   2.709  -6.654
   96    HB   ILE  12           HB       ILE  12  -4.560   0.001  -7.681
   97   1HG1  ILE  12          2HG       ILE  12  -5.581  -0.042  -4.995
   98   2HG1  ILE  12          3HG       ILE  12  -6.662   0.971  -5.887
   99   1HG2  ILE  12          1HG       ILE  12  -3.548   0.443  -5.081
  100   2HG2  ILE  12          2HG       ILE  12  -2.634   0.503  -6.594
  101   3HG2  ILE  12          3HG       ILE  12  -3.322   1.973  -5.854
  102   1HD1  ILE  12          1HD       ILE  12  -7.684  -0.987  -6.439
  103   2HD1  ILE  12          2HD       ILE  12  -6.362  -1.171  -7.606
  104   3HD1  ILE  12          3HD       ILE  12  -6.268  -1.960  -6.053
  105    H    LYS  13           H        LYS  13  -4.789   1.891  -9.992
  106    HA   LYS  13           HA       LYS  13  -2.251   3.369 -10.010
  107   1HB   LYS  13          2HB       LYS  13  -3.944   2.076 -12.206
  108   2HB   LYS  13          3HB       LYS  13  -2.421   2.923 -12.504
  109   1HG   LYS  13          2HG       LYS  13  -1.260   1.095 -12.060
  110   2HG   LYS  13          3HG       LYS  13  -1.851   1.149 -10.405
  111   1HD   LYS  13          2HD       LYS  13  -3.359  -0.473 -10.637
  112   2HD   LYS  13          3HD       LYS  13  -3.625  -0.174 -12.378
  113   1HE   LYS  13          2HE       LYS  13  -2.263  -1.875 -12.830
  114   2HE   LYS  13          3HE       LYS  13  -0.922  -0.949 -12.140
  115   1HZ   LYS  13          1HZ       LYS  13  -1.153  -3.103 -11.102
  116   2HZ   LYS  13          2HZ       LYS  13  -1.432  -1.912  -9.998
  117   3HZ   LYS  13          3HZ       LYS  13  -2.690  -2.767 -10.630
  118    H    LYS  14           H        LYS  14  -4.719   4.816  -9.137
  119    HA   LYS  14           HA       LYS  14  -4.364   7.121 -10.989
  120   1HB   LYS  14          2HB       LYS  14  -6.870   5.855 -10.147
  121   2HB   LYS  14          3HB       LYS  14  -6.787   7.469  -9.481
  122   1HG   LYS  14          2HG       LYS  14  -7.720   7.936 -11.547
  123   2HG   LYS  14          3HG       LYS  14  -6.005   8.090 -11.972
  124   1HD   LYS  14          2HD       LYS  14  -6.224   5.457 -12.312
  125   2HD   LYS  14          3HD       LYS  14  -7.942   5.819 -12.504
  126   1HE   LYS  14          2HE       LYS  14  -7.630   6.687 -14.573
  127   2HE   LYS  14          3HE       LYS  14  -6.192   7.606 -14.083
  128   1HZ   LYS  14          1HZ       LYS  14  -6.136   4.692 -14.433
  129   2HZ   LYS  14          2HZ       LYS  14  -5.829   5.716 -15.691
  130   3HZ   LYS  14          3HZ       LYS  14  -4.858   5.719 -14.342
  131    H    HIS  15           H        HIS  15  -4.576   6.004  -7.559
  132    HA   HIS  15           HA       HIS  15  -4.005   8.799  -6.758
  133   1HB   HIS  15          2HB       HIS  15  -4.743   7.019  -4.605
  134   2HB   HIS  15          3HB       HIS  15  -5.418   8.586  -5.086
  135    HD1  HIS  15           HD1      HIS  15  -7.903   8.490  -5.749
  136    HD2  HIS  15           HD2      HIS  15  -5.791   4.879  -6.220
  137    HE1  HIS  15           HE1      HIS  15  -9.593   6.728  -6.552
  138    H    ASN  16           H        ASN  16  -1.850   8.833  -6.909
  139    HA   ASN  16           HA       ASN  16  -0.210   7.387  -5.001
  140   1HB   ASN  16          2HB       ASN  16   1.227   6.501  -7.038
  141   2HB   ASN  16          3HB       ASN  16  -0.158   5.626  -6.400
  142   1HD2  ASN  16          1HD       ASN  16  -2.027   5.287  -7.692
  143   2HD2  ASN  16          2HD       ASN  16  -2.014   5.808  -9.376
  144    H    HIS  17           H        HIS  17  -0.519  10.023  -4.918
  145    HA   HIS  17           HA       HIS  17   1.984  11.093  -6.096
  146   1HB   HIS  17          2HB       HIS  17   0.762  13.099  -6.916
  147   2HB   HIS  17          3HB       HIS  17   0.417  11.617  -7.796
  148    HD1  HIS  17           HD1      HIS  17  -1.238  13.997  -5.314
  149    HD2  HIS  17           HD2      HIS  17  -2.121  10.714  -7.794
  150    HE1  HIS  17           HE1      HIS  17  -3.819  13.789  -5.411
  151    H    SER  18           H        SER  18   1.851  10.367  -3.548
  152    HA   SER  18           HA       SER  18   2.483  11.087  -1.556
  153   1HB   SER  18          2HB       SER  18   3.065  13.334  -3.057
  154   2HB   SER  18          3HB       SER  18   1.987  13.992  -1.816
  155    HG   SER  18           HG       SER  18   3.391  12.883  -0.271
  156    H    LYS  19           H        LYS  19  -0.153  13.284  -2.567
  157    HA   LYS  19           HA       LYS  19  -1.658  13.006  -0.100
  158   1HB   LYS  19          2HB       LYS  19  -1.707  14.592  -2.627
  159   2HB   LYS  19          3HB       LYS  19  -3.290  14.325  -1.923
  160   1HG   LYS  19          2HG       LYS  19  -2.917  15.565  -0.095
  161   2HG   LYS  19          3HG       LYS  19  -1.222  15.091   0.080
  162   1HD   LYS  19          2HD       LYS  19  -0.425  16.736  -1.307
  163   2HD   LYS  19          3HD       LYS  19  -1.906  16.812  -2.276
  164   1HE   LYS  19          2HE       LYS  19  -2.651  17.535   0.381
  165   2HE   LYS  19          3HE       LYS  19  -1.146  18.399   0.050
  166   1HZ   LYS  19          1HZ       LYS  19  -3.120  19.625  -0.652
  167   2HZ   LYS  19          2HZ       LYS  19  -2.155  19.283  -1.941
  168   3HZ   LYS  19          3HZ       LYS  19  -3.534  18.420  -1.691
  169    H    SER  20           H        SER  20  -1.195  10.518  -1.454
  170    HA   SER  20           HA       SER  20  -3.436   9.037  -1.111
  171   1HB   SER  20          2HB       SER  20  -4.290   8.680  -3.379
  172   2HB   SER  20          3HB       SER  20  -4.746  10.235  -2.724
  173    HG   SER  20           HG       SER  20  -2.809   9.624  -4.672
  174    H    THR  21           H        THR  21  -0.619   8.719  -0.845
  175    HA   THR  21           HA       THR  21   0.402   6.988  -2.950
  176    HB   THR  21           HB       THR  21   1.220   7.790  -0.149
  177    HG1  THR  21          1HG       THR  21   2.627   7.972  -2.574
  178   1HG2  THR  21          1HG       THR  21   2.267   5.503  -1.771
  179   2HG2  THR  21          2HG       THR  21   3.429   6.578  -0.956
  180   3HG2  THR  21          3HG       THR  21   2.181   5.761  -0.005
  181    H    TRP  22           H        TRP  22  -1.540   5.685  -3.257
  182    HA   TRP  22           HA       TRP  22  -2.016   3.665  -1.170
  183   1HB   TRP  22          2HB       TRP  22  -2.929   4.036  -4.050
  184   2HB   TRP  22          3HB       TRP  22  -3.370   2.636  -3.076
  185    HD1  TRP  22           HD1      TRP  22  -3.420   5.289  -0.664
  186    HE1  TRP  22           HE1      TRP  22  -5.712   6.256  -0.281
  187    HE3  TRP  22           HE3      TRP  22  -5.775   2.937  -4.465
  188    HZ2  TRP  22           HZ2      TRP  22  -8.328   6.098  -1.580
  189    HZ3  TRP  22           HZ3      TRP  22  -8.224   3.242  -4.804
  190    HH2  TRP  22           HH2      TRP  22  -9.456   4.879  -3.458
  191    H    LEU  23           H        LEU  23  -1.888   1.335  -2.119
  192    HA   LEU  23           HA       LEU  23  -0.053   0.682  -4.150
  193   1HB   LEU  23          2HB       LEU  23   1.745  -0.318  -2.662
  194   2HB   LEU  23          3HB       LEU  23   1.770   1.415  -2.875
  195    HG   LEU  23           HG       LEU  23   0.416   1.496  -0.580
  196   1HD1  LEU  23          1HD       LEU  23   0.812  -0.342   0.873
  197   2HD1  LEU  23          2HD       LEU  23   0.100  -1.046  -0.590
  198   3HD1  LEU  23          3HD       LEU  23   1.839  -1.126  -0.362
  199   1HD2  LEU  23          1HD       LEU  23   3.321   1.053  -1.169
  200   2HD2  LEU  23          2HD       LEU  23   2.497   2.423  -0.393
  201   3HD2  LEU  23          3HD       LEU  23   2.810   0.918   0.505
  202    H    ILE  24           H        ILE  24   0.401  -1.770  -4.033
  203    HA   ILE  24           HA       ILE  24  -1.984  -3.068  -2.821
  204    HB   ILE  24           HB       ILE  24  -0.340  -3.799  -5.318
  205   1HG1  ILE  24          2HG       ILE  24  -1.650  -2.068  -6.073
  206   2HG1  ILE  24          3HG       ILE  24  -2.663  -3.475  -6.389
  207   1HG2  ILE  24          1HG       ILE  24  -2.572  -5.227  -3.863
  208   2HG2  ILE  24          2HG       ILE  24  -2.250  -5.498  -5.597
  209   3HG2  ILE  24          3HG       ILE  24  -1.000  -5.850  -4.413
  210   1HD1  ILE  24          1HD       ILE  24  -4.107  -1.855  -5.463
  211   2HD1  ILE  24          2HD       ILE  24  -3.761  -2.938  -4.082
  212   3HD1  ILE  24          3HD       ILE  24  -2.969  -1.386  -4.221
  213    H    LEU  25           H        LEU  25  -1.159  -4.001  -0.956
  214    HA   LEU  25           HA       LEU  25   1.389  -5.493  -1.168
  215   1HB   LEU  25          2HB       LEU  25   0.130  -3.876   1.059
  216   2HB   LEU  25          3HB       LEU  25   1.139  -5.260   1.495
  217    HG   LEU  25           HG       LEU  25   2.098  -3.183  -0.465
  218   1HD1  LEU  25          1HD       LEU  25   2.854  -3.217   2.482
  219   2HD1  LEU  25          2HD       LEU  25   3.077  -1.923   1.292
  220   3HD1  LEU  25          3HD       LEU  25   1.457  -2.280   1.919
  221   1HD2  LEU  25          1HD       LEU  25   4.210  -4.113  -0.100
  222   2HD2  LEU  25          2HD       LEU  25   3.703  -4.933   1.405
  223   3HD2  LEU  25          3HD       LEU  25   3.107  -5.514  -0.134
  224    H    HIS  26           H        HIS  26   0.655  -7.451  -1.796
  225    HA   HIS  26           HA       HIS  26  -0.284  -9.535  -1.523
  226   1HB   HIS  26          2HB       HIS  26  -1.274  -8.751   1.243
  227   2HB   HIS  26          3HB       HIS  26  -0.925 -10.342   0.617
  228    HD1  HIS  26           HD1      HIS  26   1.781 -10.927   0.371
  229    HD2  HIS  26           HD2      HIS  26   0.687  -7.353   2.313
  230    HE1  HIS  26           HE1      HIS  26   3.852 -10.112   1.626
  231    H    HIS  27           H        HIS  27  -1.766  -8.561  -3.216
  232    HA   HIS  27           HA       HIS  27  -3.747  -8.056  -4.114
  233   1HB   HIS  27          2HB       HIS  27  -4.853 -10.315  -2.449
  234   2HB   HIS  27          3HB       HIS  27  -5.313  -9.835  -4.083
  235    HD1  HIS  27           HD1      HIS  27  -3.593 -12.498  -2.506
  236    HD2  HIS  27           HD2      HIS  27  -2.696  -9.950  -5.729
  237    HE1  HIS  27           HE1      HIS  27  -1.855 -13.725  -3.962
  238    H    LYS  28           H        LYS  28  -3.422  -6.298  -1.966
  239    HA   LYS  28           HA       LYS  28  -6.204  -5.828  -1.157
  240   1HB   LYS  28          2HB       LYS  28  -3.850  -6.453   0.548
  241   2HB   LYS  28          3HB       LYS  28  -4.845  -5.090   1.090
  242   1HG   LYS  28          2HG       LYS  28  -6.432  -6.406   1.877
  243   2HG   LYS  28          3HG       LYS  28  -6.536  -7.362   0.391
  244   1HD   LYS  28          2HD       LYS  28  -5.026  -8.948   1.135
  245   2HD   LYS  28          3HD       LYS  28  -4.182  -7.812   2.219
  246   1HE   LYS  28          2HE       LYS  28  -6.175  -7.743   3.681
  247   2HE   LYS  28          3HE       LYS  28  -6.978  -8.941   2.652
  248   1HZ   LYS  28          1HZ       LYS  28  -4.359  -9.418   3.915
  249   2HZ   LYS  28          2HZ       LYS  28  -5.790  -9.831   4.638
  250   3HZ   LYS  28          3HZ       LYS  28  -5.356 -10.521   3.208
  251    H    VAL  29           H        VAL  29  -6.448  -3.432  -0.468
  252    HA   VAL  29           HA       VAL  29  -4.498  -1.794  -1.965
  253    HB   VAL  29           HB       VAL  29  -7.399  -1.796  -1.313
  254   1HG1  VAL  29          1HG       VAL  29  -6.952   0.605  -2.807
  255   2HG1  VAL  29          2HG       VAL  29  -7.635   0.341  -1.201
  256   3HG1  VAL  29          3HG       VAL  29  -5.882   0.611  -1.414
  257   1HG2  VAL  29          1HG       VAL  29  -7.376  -1.124  -3.896
  258   2HG2  VAL  29          2HG       VAL  29  -5.889  -2.057  -3.786
  259   3HG2  VAL  29          3HG       VAL  29  -7.458  -2.764  -3.282
  260    H    TYR  30           H        TYR  30  -3.259  -0.543  -0.644
  261    HA   TYR  30           HA       TYR  30  -4.113  -0.072   2.139
  262   1HB   TYR  30          2HB       TYR  30  -1.529  -0.728   0.714
  263   2HB   TYR  30          3HB       TYR  30  -1.541   0.052   2.265
  264    HD1  TYR  30           HD1      TYR  30  -1.951  -1.108   4.260
  265    HD2  TYR  30           HD2      TYR  30  -2.519  -3.080   0.498
  266    HE1  TYR  30           HE1      TYR  30  -2.137  -3.276   5.430
  267    HE2  TYR  30           HE2      TYR  30  -2.587  -5.268   1.702
  268    HH   TYR  30           HH       TYR  30  -2.156  -5.588   5.200
  269    H    ASP  31           H        ASP  31  -3.301   1.946   2.962
  270    HA   ASP  31           HA       ASP  31  -2.606   3.998   0.957
  271   1HB   ASP  31          2HB       ASP  31  -5.042   3.976   1.459
  272   2HB   ASP  31          3HB       ASP  31  -4.693   4.270   3.166
  273    H    LEU  32           H        LEU  32  -0.653   4.604   1.592
  274    HA   LEU  32           HA       LEU  32  -0.230   4.907   4.527
  275   1HB   LEU  32          2HB       LEU  32   2.211   4.743   3.071
  276   2HB   LEU  32          3HB       LEU  32   1.649   3.842   4.476
  277    HG   LEU  32           HG       LEU  32   1.173   3.016   1.612
  278   1HD1  LEU  32          1HD       LEU  32   2.805   1.164   2.604
  279   2HD1  LEU  32          2HD       LEU  32   3.425   2.699   1.981
  280   3HD1  LEU  32          3HD       LEU  32   3.253   2.439   3.729
  281   1HD2  LEU  32          1HD       LEU  32   0.040   2.211   4.209
  282   2HD2  LEU  32          2HD       LEU  32  -0.502   1.876   2.572
  283   3HD2  LEU  32          3HD       LEU  32   0.738   0.845   3.299
  284    H    THR  33           H        THR  33  -1.339   6.810   2.334
  285    HA   THR  33           HA       THR  33   0.412   8.889   1.832
  286    HB   THR  33           HB       THR  33  -2.543   8.712   2.622
  287    HG1  THR  33          1HG       THR  33  -2.499   7.826   0.762
  288   1HG2  THR  33          1HG       THR  33  -1.344  11.132   2.623
  289   2HG2  THR  33          2HG       THR  33  -1.659  10.936   0.900
  290   3HG2  THR  33          3HG       THR  33  -3.000  10.831   2.044
  291    H    LYS  34           H        LYS  34  -1.748   8.483   4.743
  292    HA   LYS  34           HA       LYS  34  -0.441  10.760   6.019
  293   1HB   LYS  34          2HB       LYS  34  -2.854  10.163   6.338
  294   2HB   LYS  34          3HB       LYS  34  -2.363   8.730   7.237
  295   1HG   LYS  34          2HG       LYS  34  -1.027  11.165   8.244
  296   2HG   LYS  34          3HG       LYS  34  -2.761  11.383   8.211
  297   1HD   LYS  34          2HD       LYS  34  -3.191   9.757   9.780
  298   2HD   LYS  34          3HD       LYS  34  -1.766   8.790   9.381
  299   1HE   LYS  34          2HE       LYS  34  -1.582  11.492  10.768
  300   2HE   LYS  34          3HE       LYS  34  -1.700   9.941  11.623
  301   1HZ   LYS  34          1HZ       LYS  34   0.605  10.450  11.392
  302   2HZ   LYS  34          2HZ       LYS  34   0.277   9.213  10.416
  303   3HZ   LYS  34          3HZ       LYS  34   0.471  10.656   9.742
  304    H    PHE  35           H        PHE  35   0.685   7.711   5.423
  305    HA   PHE  35           HA       PHE  35   2.109   7.424   7.968
  306   1HB   PHE  35          2HB       PHE  35   0.786   5.519   7.030
  307   2HB   PHE  35          3HB       PHE  35   1.814   5.565   5.622
  308    HD1  PHE  35          1HD       PHE  35   3.513   3.926   5.494
  309    HD2  PHE  35          2HD       PHE  35   2.245   5.389   9.331
  310    HE1  PHE  35          1HE       PHE  35   4.992   2.295   6.612
  311    HE2  PHE  35          2HE       PHE  35   3.961   3.977  10.438
  312    HZ   PHE  35           HZ       PHE  35   5.411   2.518   9.069
  313    H    LEU  36           H        LEU  36   2.384   8.540   4.730
  314    HA   LEU  36           HA       LEU  36   4.946   7.871   3.969
  315   1HB   LEU  36          2HB       LEU  36   3.281  10.377   3.558
  316   2HB   LEU  36          3HB       LEU  36   4.955  10.334   3.021
  317    HG   LEU  36           HG       LEU  36   2.692   8.552   2.068
  318   1HD1  LEU  36          1HD       LEU  36   2.588  10.664   1.051
  319   2HD1  LEU  36          2HD       LEU  36   4.361  10.762   0.837
  320   3HD1  LEU  36          3HD       LEU  36   3.403   9.621  -0.127
  321   1HD2  LEU  36          1HD       LEU  36   4.759   7.980   0.391
  322   2HD2  LEU  36          2HD       LEU  36   5.642   8.157   1.906
  323   3HD2  LEU  36          3HD       LEU  36   4.261   7.023   1.790
  324    H    GLU  37           H        GLU  37   4.063  10.568   6.103
  325    HA   GLU  37           HA       GLU  37   6.906  11.038   6.747
  326   1HB   GLU  37          2HB       GLU  37   4.304  12.472   7.388
  327   2HB   GLU  37          3HB       GLU  37   5.852  12.974   8.065
  328   1HG   GLU  37          2HG       GLU  37   5.950  12.602   5.123
  329   2HG   GLU  37          3HG       GLU  37   4.769  13.804   5.628
  330    H    GLU  38           H        GLU  38   5.148   8.611   7.719
  331    HA   GLU  38           HA       GLU  38   5.618   8.911  10.630
  332   1HB   GLU  38          2HB       GLU  38   3.244   8.728   9.760
  333   2HB   GLU  38          3HB       GLU  38   3.718   7.149   9.113
  334   1HG   GLU  38          2HG       GLU  38   4.104   6.229  11.260
  335   2HG   GLU  38          3HG       GLU  38   3.960   7.818  12.038
  336    H    HIS  39           HN       HIS  39   6.330   7.038   7.793
  337    HA   HIS  39           HA       HIS  39   7.047   4.582   8.929
  338   1HB   HIS  39          2HB       HIS  39   6.973   5.685   6.401
  339   2HB   HIS  39          3HB       HIS  39   8.677   5.781   6.766
  340    HD1  HIS  39           HND      HIS  39   8.808   4.429   4.506
  341    HD2  HIS  39           HD       HIS  39   7.233   2.315   7.753
  342    HE1  HIS  39           HE       HIS  39   9.136   2.027   3.967
  343    HA   PRO  40           HA       PRO  40  10.597   5.623  11.239
  344   1HB   PRO  40          2HB       PRO  40  12.404   3.527  10.834
  345   2HB   PRO  40          3HB       PRO  40  10.927   3.424  11.836
  346   1HG   PRO  40          2HG       PRO  40  11.412   2.299   9.129
  347   2HG   PRO  40          3HG       PRO  40  10.224   1.842  10.396
  348   1HD   PRO  40          2HD       PRO  40   9.789   3.362   8.050
  349   2HD   PRO  40          3HD       PRO  40   8.612   3.007   9.368
  350    H    GLY  41           H        GLY  41  11.359   4.768   7.933
  351   1HA   GLY  41          2HA       GLY  41  12.996   7.124   7.604
  352   2HA   GLY  41          3HA       GLY  41  13.971   5.649   7.655
  353    H    GLY  42           H        GLY  42  10.657   5.221   6.193
  354   1HA   GLY  42          2HA       GLY  42  12.001   5.716   3.562
  355   2HA   GLY  42          3HA       GLY  42  10.887   4.392   3.818
  356    H    GLU  43           H        GLU  43  10.837   6.892   2.201
  357    HA   GLU  43           HA       GLU  43   7.942   7.417   2.707
  358   1HB   GLU  43          2HB       GLU  43   8.516   9.824   2.115
  359   2HB   GLU  43          3HB       GLU  43   8.893   9.231   3.731
  360   1HG   GLU  43          2HG       GLU  43  10.957   9.988   3.585
  361   2HG   GLU  43          3HG       GLU  43  11.320   8.904   2.270
  362    H    GLU  44           H        GLU  44  10.577   8.122   0.797
  363    HA   GLU  44           HA       GLU  44   9.422   8.226  -1.850
  364   1HB   GLU  44          2HB       GLU  44  11.845   8.926  -1.391
  365   2HB   GLU  44          3HB       GLU  44  12.249   7.208  -1.415
  366   1HG   GLU  44          2HG       GLU  44  12.601   7.522  -3.638
  367   2HG   GLU  44          3HG       GLU  44  10.867   7.400  -3.794
  368    H    VAL  45           H        VAL  45  10.728   5.408   0.020
  369    HA   VAL  45           HA       VAL  45  10.374   3.521  -2.077
  370    HB   VAL  45           HB       VAL  45   9.946   1.948  -0.109
  371   1HG1  VAL  45          1HG       VAL  45  12.434   3.397  -0.817
  372   2HG1  VAL  45          2HG       VAL  45  12.477   2.441   0.681
  373   3HG1  VAL  45          3HG       VAL  45  12.058   1.664  -0.850
  374   1HG2  VAL  45          1HG       VAL  45  10.197   2.570   2.058
  375   2HG2  VAL  45          2HG       VAL  45  11.092   4.053   1.667
  376   3HG2  VAL  45          3HG       VAL  45   9.329   3.978   1.445
  377    H    LEU  46           H        LEU  46   7.890   5.017   0.297
  378    HA   LEU  46           HA       LEU  46   5.989   3.129  -0.802
  379   1HB   LEU  46          2HB       LEU  46   5.267   5.774   0.352
  380   2HB   LEU  46          3HB       LEU  46   4.423   4.229   0.475
  381    HG   LEU  46           HG       LEU  46   6.951   5.159   1.924
  382   1HD1  LEU  46          1HD       LEU  46   5.319   4.208   3.854
  383   2HD1  LEU  46          2HD       LEU  46   5.286   5.873   3.267
  384   3HD1  LEU  46          3HD       LEU  46   4.143   4.698   2.627
  385   1HD2  LEU  46          1HD       LEU  46   6.958   2.599   1.129
  386   2HD2  LEU  46          2HD       LEU  46   7.501   3.137   2.696
  387   3HD2  LEU  46          3HD       LEU  46   5.877   2.423   2.516
  388    H    ARG  47           H        ARG  47   7.331   6.164  -1.966
  389    HA   ARG  47           HA       ARG  47   5.169   6.658  -3.851
  390   1HB   ARG  47          2HB       ARG  47   6.630   8.434  -2.846
  391   2HB   ARG  47          3HB       ARG  47   7.971   7.834  -3.844
  392   1HG   ARG  47          2HG       ARG  47   6.597   8.251  -5.892
  393   2HG   ARG  47          3HG       ARG  47   5.268   8.815  -4.870
  394   1HD   ARG  47          2HD       ARG  47   6.196  10.865  -5.335
  395   2HD   ARG  47          3HD       ARG  47   7.181  10.451  -3.928
  396    HE   ARG  47           HE       ARG  47   9.008  10.325  -5.226
  397   1HH1  ARG  47          2HH       ARG  47   6.234  10.023  -7.360
  398   2HH1  ARG  47          1HH       ARG  47   7.138  10.032  -8.836
  399   1HH2  ARG  47          2HH       ARG  47  10.256  10.289  -7.099
  400   2HH2  ARG  47          1HH       ARG  47   9.546  10.207  -8.684
  401    H    GLU  48           H        GLU  48   8.213   4.823  -3.905
  402    HA   GLU  48           HA       GLU  48   8.432   4.782  -6.782
  403   1HB   GLU  48          2HB       GLU  48   9.875   3.633  -4.445
  404   2HB   GLU  48          3HB       GLU  48   9.786   2.534  -5.814
  405   1HG   GLU  48          2HG       GLU  48  10.539   4.630  -7.235
  406   2HG   GLU  48          3HG       GLU  48  11.065   5.271  -5.675
  407    H    GLN  49           H        GLN  49   6.604   2.989  -4.441
  408    HA   GLN  49           HA       GLN  49   5.689   1.119  -6.587
  409   1HB   GLN  49          2HB       GLN  49   5.646   0.777  -3.581
  410   2HB   GLN  49          3HB       GLN  49   5.261  -0.452  -4.809
  411   1HG   GLN  49          2HG       GLN  49   8.013   0.796  -4.318
  412   2HG   GLN  49          3HG       GLN  49   7.474  -0.785  -3.797
  413   1HE2  GLN  49          1HE       GLN  49   9.809  -0.697  -5.389
  414   2HE2  GLN  49          2HE       GLN  49   9.346  -1.340  -6.946
  415    H    ALA  50           H        ALA  50   4.838   3.914  -5.229
  416    HA   ALA  50           HA       ALA  50   2.299   3.563  -4.145
  417   1HB   ALA  50          1HB       ALA  50   1.831   5.896  -4.915
  418   2HB   ALA  50          2HB       ALA  50   3.340   5.727  -4.045
  419   3HB   ALA  50          3HB       ALA  50   3.367   5.858  -5.826
  420    H    GLY  51           H        GLY  51   0.215   3.295  -5.013
  421   1HA   GLY  51          2HA       GLY  51  -1.380   2.662  -6.505
  422   2HA   GLY  51          3HA       GLY  51  -0.571   3.746  -7.661
  423    H    GLY  52           H        GLY  52   1.254   1.064  -6.164
  424   1HA   GLY  52          2HA       GLY  52   0.992  -0.596  -8.583
  425   2HA   GLY  52          3HA       GLY  52   2.561   0.148  -8.175
  426    H    ASP  53           H        ASP  53   3.003  -2.360  -8.121
  427    HA   ASP  53           HA       ASP  53   1.947  -3.648  -5.690
  428   1HB   ASP  53          2HB       ASP  53   2.287  -4.836  -7.980
  429   2HB   ASP  53          3HB       ASP  53   4.001  -4.899  -7.520
  430    H    ALA  54           H        ALA  54   2.946  -3.150  -3.812
  431    HA   ALA  54           HA       ALA  54   5.877  -2.547  -3.950
  432   1HB   ALA  54          1HB       ALA  54   5.642  -1.222  -2.096
  433   2HB   ALA  54          2HB       ALA  54   4.085  -0.941  -2.891
  434   3HB   ALA  54          3HB       ALA  54   4.177  -2.067  -1.520
  435    H    THR  55           H        THR  55   3.848  -5.177  -3.439
  436    HA   THR  55           HA       THR  55   4.700  -6.257  -1.045
  437    HB   THR  55           HB       THR  55   4.136  -7.933  -3.519
  438    HG1  THR  55          1HG       THR  55   2.487  -6.670  -3.793
  439   1HG2  THR  55          1HG       THR  55   2.787  -9.195  -1.846
  440   2HG2  THR  55          2HG       THR  55   4.505  -9.073  -1.388
  441   3HG2  THR  55          3HG       THR  55   3.296  -8.020  -0.607
  442    H    GLU  56           H        GLU  56   6.224  -6.502  -4.288
  443    HA   GLU  56           HA       GLU  56   8.273  -8.306  -3.633
  444   1HB   GLU  56          2HB       GLU  56   8.100  -5.927  -5.498
  445   2HB   GLU  56          3HB       GLU  56   9.673  -6.684  -5.213
  446   1HG   GLU  56          2HG       GLU  56   8.643  -8.916  -5.793
  447   2HG   GLU  56          3HG       GLU  56   7.190  -8.049  -6.314
  448    H    ASN  57           H        ASN  57   8.074  -4.830  -2.839
  449    HA   ASN  57           HA       ASN  57  10.761  -4.780  -1.706
  450   1HB   ASN  57          2HB       ASN  57   8.611  -2.846  -2.144
  451   2HB   ASN  57          3HB       ASN  57   9.150  -2.789  -0.468
  452   1HD2  ASN  57          1HD       ASN  57   9.650  -1.170  -3.165
  453   2HD2  ASN  57          2HD       ASN  57  11.381  -0.837  -3.008
  454    H    PHE  58           H        PHE  58   7.494  -4.645  -0.189
  455    HA   PHE  58           HA       PHE  58   8.310  -4.690   2.465
  456   1HB   PHE  58          2HB       PHE  58   6.029  -4.370   1.471
  457   2HB   PHE  58          3HB       PHE  58   5.885  -6.119   1.336
  458    HD1  PHE  58          1HD       PHE  58   5.716  -7.516   3.432
  459    HD2  PHE  58          2HD       PHE  58   5.765  -3.213   3.540
  460    HE1  PHE  58          1HE       PHE  58   4.775  -7.561   5.717
  461    HE2  PHE  58          2HE       PHE  58   4.814  -3.255   5.835
  462    HZ   PHE  58           HZ       PHE  58   4.313  -5.402   6.924
  463    H    GLU  59           H        GLU  59   8.044  -7.461   0.278
  464    HA   GLU  59           HA       GLU  59   8.535  -9.426   2.357
  465   1HB   GLU  59          2HB       GLU  59   8.134  -9.324  -0.651
  466   2HB   GLU  59          3HB       GLU  59   9.081 -10.673  -0.095
  467   1HG   GLU  59          2HG       GLU  59   6.406 -10.078   1.200
  468   2HG   GLU  59          3HG       GLU  59   6.506 -10.942  -0.340
  469    H    ASP  60           H        ASP  60  10.487  -8.073  -0.433
  470    HA   ASP  60           HA       ASP  60  12.816  -9.603   0.025
  471   1HB   ASP  60          2HB       ASP  60  12.272  -8.195  -1.991
  472   2HB   ASP  60          3HB       ASP  60  12.656  -6.753  -1.040
  473    H    VAL  61           H        VAL  61  11.604  -6.710   1.519
  474    HA   VAL  61           HA       VAL  61  13.887  -5.962   3.094
  475    HB   VAL  61           HB       VAL  61  10.892  -5.402   3.343
  476   1HG1  VAL  61          1HG       VAL  61  11.633  -3.615   5.008
  477   2HG1  VAL  61          2HG       VAL  61  11.692  -5.273   5.591
  478   3HG1  VAL  61          3HG       VAL  61  13.193  -4.467   5.087
  479   1HG2  VAL  61          1HG       VAL  61  11.983  -2.986   2.914
  480   2HG2  VAL  61          2HG       VAL  61  13.245  -3.965   2.136
  481   3HG2  VAL  61          3HG       VAL  61  11.576  -4.042   1.582
  482    H    GLY  62           H        GLY  62  10.839  -7.820   3.930
  483   1HA   GLY  62          2HA       GLY  62  10.867  -9.763   5.288
  484   2HA   GLY  62          3HA       GLY  62  12.513  -9.388   5.816
  485    H    HIS  63           HN       HIS  63   9.768  -7.145   5.671
  486    HA   HIS  63           HA       HIS  63  10.289  -5.642   7.805
  487   1HB   HIS  63          2HB       HIS  63   7.712  -6.447   6.452
  488   2HB   HIS  63          3HB       HIS  63   7.578  -5.514   7.919
  489    HD1  HIS  63           HND      HIS  63   9.019  -5.123   4.421
  490    HD2  HIS  63           HD       HIS  63   7.885  -2.938   7.818
  491    HE1  HIS  63           HE       HIS  63   9.026  -2.695   3.727
  492    H    SER  64           H        SER  64   9.420  -5.303   9.947
  493    HA   SER  64           HA       SER  64   9.413  -7.657  11.577
  494   1HB   SER  64          2HB       SER  64   8.916  -5.904  13.342
  495   2HB   SER  64          3HB       SER  64  10.369  -5.588  12.370
  496    HG   SER  64           HG       SER  64   8.702  -3.842  12.689
  497    H    THR  65           H        THR  65   7.609  -7.921  13.303
  498    HA   THR  65           HA       THR  65   5.157  -8.413  11.906
  499    HB   THR  65           HB       THR  65   5.997  -8.649  14.817
  500    HG1  THR  65          1HG       THR  65   7.193 -10.060  13.633
  501   1HG2  THR  65          1HG       THR  65   3.727 -10.061  13.378
  502   2HG2  THR  65          2HG       THR  65   4.133 -10.112  15.115
  503   3HG2  THR  65          3HG       THR  65   3.484  -8.627  14.404
  504    H    ASP  66           H        ASP  66   6.376  -5.841  14.173
  505    HA   ASP  66           HA       ASP  66   3.791  -4.809  14.808
  506   1HB   ASP  66          2HB       ASP  66   4.975  -2.809  15.460
  507   2HB   ASP  66          3HB       ASP  66   5.881  -4.238  16.006
  508    H    ALA  67           H        ALA  67   6.080  -4.209  12.225
  509    HA   ALA  67           HA       ALA  67   4.625  -2.221  10.810
  510   1HB   ALA  67          1HB       ALA  67   6.991  -2.983  10.281
  511   2HB   ALA  67          2HB       ALA  67   6.299  -4.430   9.536
  512   3HB   ALA  67          3HB       ALA  67   5.912  -2.842   8.866
  513    H    ARG  68           H        ARG  68   4.563  -5.791  10.473
  514    HA   ARG  68           HA       ARG  68   2.567  -6.048   8.512
  515   1HB   ARG  68          2HB       ARG  68   3.542  -7.784  10.663
  516   2HB   ARG  68          3HB       ARG  68   1.989  -8.191   9.922
  517   1HG   ARG  68          2HG       ARG  68   2.867  -8.578   7.856
  518   2HG   ARG  68          3HG       ARG  68   4.097  -7.325   7.997
  519   1HD   ARG  68          2HD       ARG  68   5.678  -8.667   8.630
  520   2HD   ARG  68          3HD       ARG  68   4.687  -9.438   9.883
  521    HE   ARG  68           HE       ARG  68   3.698 -10.492   7.555
  522   1HH1  ARG  68          2HH       ARG  68   6.923 -10.245   8.961
  523   2HH1  ARG  68          1HH       ARG  68   7.483 -11.768   8.377
  524   1HH2  ARG  68          2HH       ARG  68   4.417 -12.525   6.709
  525   2HH2  ARG  68          1HH       ARG  68   6.015 -13.088   7.027
  526    H    GLU  69           H        GLU  69   2.305  -5.073  11.997
  527    HA   GLU  69           HA       GLU  69  -0.607  -5.425  12.107
  528   1HB   GLU  69          2HB       GLU  69   1.549  -4.592  14.037
  529   2HB   GLU  69          3HB       GLU  69  -0.047  -3.916  14.296
  530   1HG   GLU  69          2HG       GLU  69  -0.446  -6.660  13.724
  531   2HG   GLU  69          3HG       GLU  69   0.945  -6.608  14.802
  532    H    LEU  70           H        LEU  70   1.558  -2.468  11.876
  533    HA   LEU  70           HA       LEU  70  -0.561  -0.646  11.922
  534   1HB   LEU  70          2HB       LEU  70   2.137  -0.740  10.570
  535   2HB   LEU  70          3HB       LEU  70   1.117   0.678  10.545
  536    HG   LEU  70           HG       LEU  70   1.368  -0.298  13.250
  537   1HD1  LEU  70          1HD       LEU  70   3.575  -1.052  13.041
  538   2HD1  LEU  70          2HD       LEU  70   3.927  -0.007  11.651
  539   3HD1  LEU  70          3HD       LEU  70   3.898   0.646  13.295
  540   1HD2  LEU  70          1HD       LEU  70   1.894   1.936  13.755
  541   2HD2  LEU  70          2HD       LEU  70   2.447   2.267  12.093
  542   3HD2  LEU  70          3HD       LEU  70   0.718   1.991  12.426
  543    H    SER  71           H        SER  71   0.645  -2.687   9.209
  544    HA   SER  71           HA       SER  71  -0.935  -1.682   7.113
  545   1HB   SER  71          2HB       SER  71  -1.058  -4.577   7.170
  546   2HB   SER  71          3HB       SER  71  -0.211  -3.493   6.056
  547    HG   SER  71           HG       SER  71   0.706  -4.696   8.366
  548    H    LYS  72           H        LYS  72  -2.123  -3.371   9.959
  549    HA   LYS  72           HA       LYS  72  -4.676  -4.016   8.890
  550   1HB   LYS  72          2HB       LYS  72  -3.460  -4.690  11.167
  551   2HB   LYS  72          3HB       LYS  72  -4.255  -3.243  11.792
  552   1HG   LYS  72          2HG       LYS  72  -5.912  -4.832  12.213
  553   2HG   LYS  72          3HG       LYS  72  -6.386  -4.336  10.582
  554   1HD   LYS  72          2HD       LYS  72  -4.566  -6.261   9.953
  555   2HD   LYS  72          3HD       LYS  72  -5.093  -6.884  11.524
  556   1HE   LYS  72          2HE       LYS  72  -7.254  -7.312  10.773
  557   2HE   LYS  72          3HE       LYS  72  -7.233  -5.946   9.647
  558   1HZ   LYS  72          1HZ       LYS  72  -7.181  -7.888   8.374
  559   2HZ   LYS  72          2HZ       LYS  72  -5.673  -7.241   8.283
  560   3HZ   LYS  72          3HZ       LYS  72  -5.944  -8.555   9.241
  561    H    THR  73           H        THR  73  -3.390  -0.964  10.202
  562    HA   THR  73           HA       THR  73  -6.067   0.271  10.023
  563    HB   THR  73           HB       THR  73  -4.246   0.482  11.935
  564    HG1  THR  73          1HG       THR  73  -6.000   1.494  12.391
  565   1HG2  THR  73          1HG       THR  73  -2.991   2.516  11.889
  566   2HG2  THR  73          2HG       THR  73  -2.519   1.562  10.479
  567   3HG2  THR  73          3HG       THR  73  -3.623   2.952  10.292
  568    H    PHE  74           H        PHE  74  -3.516  -0.335   7.897
  569    HA   PHE  74           HA       PHE  74  -3.823   2.237   6.416
  570   1HB   PHE  74          2HB       PHE  74  -2.030  -0.176   6.118
  571   2HB   PHE  74          3HB       PHE  74  -1.990   1.222   5.034
  572    HD1  PHE  74          1HD       PHE  74  -2.480   2.551   8.279
  573    HD2  PHE  74          2HD       PHE  74   0.429   0.619   5.758
  574    HE1  PHE  74          1HE       PHE  74  -0.676   3.301   9.788
  575    HE2  PHE  74          2HE       PHE  74   2.235   1.556   7.139
  576    HZ   PHE  74           HZ       PHE  74   1.654   2.699   9.271
  577    H    ILE  75           H        ILE  75  -4.638  -1.244   6.189
  578    HA   ILE  75           HA       ILE  75  -5.249  -1.298   3.462
  579    HB   ILE  75           HB       ILE  75  -5.467  -3.010   5.697
  580   1HG1  ILE  75          2HG       ILE  75  -6.347  -3.742   2.909
  581   2HG1  ILE  75          3HG       ILE  75  -4.682  -3.303   3.232
  582   1HG2  ILE  75          1HG       ILE  75  -8.146  -2.842   4.256
  583   2HG2  ILE  75          2HG       ILE  75  -7.643  -4.145   5.340
  584   3HG2  ILE  75          3HG       ILE  75  -7.842  -2.522   5.991
  585   1HD1  ILE  75          1HD       ILE  75  -4.800  -5.693   3.442
  586   2HD1  ILE  75          2HD       ILE  75  -4.626  -5.037   5.078
  587   3HD1  ILE  75          3HD       ILE  75  -6.207  -5.610   4.511
  588    H    ILE  76           H        ILE  76  -6.502  -0.067   2.363
  589    HA   ILE  76           HA       ILE  76  -8.919   1.164   3.608
  590    HB   ILE  76           HB       ILE  76  -8.721   2.720   1.575
  591   1HG1  ILE  76          2HG       ILE  76  -5.797   1.956   1.507
  592   2HG1  ILE  76          3HG       ILE  76  -6.885   1.024   0.604
  593   1HG2  ILE  76          1HG       ILE  76  -8.319   3.571   3.728
  594   2HG2  ILE  76          2HG       ILE  76  -6.764   2.728   3.879
  595   3HG2  ILE  76          3HG       ILE  76  -6.952   4.093   2.744
  596   1HD1  ILE  76          1HD       ILE  76  -6.948   4.010   0.334
  597   2HD1  ILE  76          2HD       ILE  76  -5.898   2.934  -0.640
  598   3HD1  ILE  76          3HD       ILE  76  -7.667   2.790  -0.732
  599    H    GLY  77           H        GLY  77  -8.261  -1.614   2.065
  600   1HA   GLY  77          2HA       GLY  77 -10.811  -2.232   1.345
  601   2HA   GLY  77          3HA       GLY  77 -10.204  -1.403  -0.101
  602    H    GLU  78           H        GLU  78 -10.599  -3.778  -0.966
  603    HA   GLU  78           HA       GLU  78  -8.003  -5.095  -0.787
  604   1HB   GLU  78          2HB       GLU  78 -10.636  -6.612  -0.683
  605   2HB   GLU  78          3HB       GLU  78  -9.012  -7.315  -0.858
  606   1HG   GLU  78          2HG       GLU  78  -8.498  -5.839   1.284
  607   2HG   GLU  78          3HG       GLU  78 -10.239  -5.844   1.495
  608    H    LEU  79           H        LEU  79  -7.502  -6.311  -2.873
  609    HA   LEU  79           HA       LEU  79  -8.302  -4.788  -5.126
  610   1HB   LEU  79          2HB       LEU  79  -6.662  -7.213  -4.502
  611   2HB   LEU  79          3HB       LEU  79  -7.449  -7.261  -6.079
  612    HG   LEU  79           HG       LEU  79  -6.579  -5.088  -6.644
  613   1HD1  LEU  79          1HD       LEU  79  -4.735  -5.080  -4.263
  614   2HD1  LEU  79          2HD       LEU  79  -5.192  -3.800  -5.412
  615   3HD1  LEU  79          3HD       LEU  79  -6.317  -4.329  -4.166
  616   1HD2  LEU  79          1HD       LEU  79  -5.212  -7.171  -7.115
  617   2HD2  LEU  79          2HD       LEU  79  -4.212  -5.700  -6.932
  618   3HD2  LEU  79          3HD       LEU  79  -4.335  -6.857  -5.614
  619    H    HIS  80           H        HIS  80  -9.875  -5.079  -6.599
  620    HA   HIS  80           HA       HIS  80 -12.246  -6.193  -5.988
  621   1HB   HIS  80          2HB       HIS  80 -10.954  -5.295  -8.468
  622   2HB   HIS  80          3HB       HIS  80 -12.091  -6.599  -8.778
  623    HD1  HIS  80           HD1      HIS  80 -14.035  -5.231  -9.829
  624    HD2  HIS  80           HD2      HIS  80 -12.602  -3.750  -6.168
  625    HE1  HIS  80           HE1      HIS  80 -15.625  -3.338  -9.123
  626    HA   PRO  81           HA       PRO  81 -12.018 -10.424  -6.066
  627   1HB   PRO  81          2HB       PRO  81 -14.611 -11.214  -6.684
  628   2HB   PRO  81          3HB       PRO  81 -14.116 -10.474  -5.134
  629   1HG   PRO  81          2HG       PRO  81 -15.485  -9.185  -7.487
  630   2HG   PRO  81          3HG       PRO  81 -15.708  -8.868  -5.739
  631   1HD   PRO  81          2HD       PRO  81 -14.172  -7.313  -7.472
  632   2HD   PRO  81          3HD       PRO  81 -13.953  -7.372  -5.698
  633    H    ASP  82           H        ASP  82 -13.575  -9.190  -9.047
  634    HA   ASP  82           HA       ASP  82 -13.252 -11.480 -10.687
  635   1HB   ASP  82          2HB       ASP  82 -14.475  -9.256 -11.120
  636   2HB   ASP  82          3HB       ASP  82 -12.910  -8.581 -11.567
  637    H    ASP  83           H        ASP  83 -11.052  -8.888  -9.684
  638    HA   ASP  83           HA       ASP  83  -8.837 -10.028 -11.220
  639   1HB   ASP  83          2HB       ASP  83  -8.668  -7.574  -9.468
  640   2HB   ASP  83          3HB       ASP  83  -7.732  -8.072 -10.889
  641    H    ARG  84           H        ARG  84  -9.880 -11.581  -8.978
  642    HA   ARG  84           HA       ARG  84  -7.555 -11.375  -7.090
  643   1HB   ARG  84          2HB       ARG  84  -9.871 -11.115  -6.164
  644   2HB   ARG  84          3HB       ARG  84 -10.234 -12.762  -6.711
  645   1HG   ARG  84          2HG       ARG  84  -9.736 -12.950  -4.415
  646   2HG   ARG  84          3HG       ARG  84  -8.318 -13.571  -5.244
  647   1HD   ARG  84          2HD       ARG  84  -7.244 -11.266  -4.953
  648   2HD   ARG  84          3HD       ARG  84  -8.682 -10.784  -4.048
  649    HE   ARG  84           HE       ARG  84  -7.918 -11.888  -2.231
  650   1HH1  ARG  84          2HH       ARG  84  -6.184 -13.143  -5.080
  651   2HH1  ARG  84          1HH       ARG  84  -5.074 -14.095  -4.189
  652   1HH2  ARG  84          2HH       ARG  84  -6.519 -13.270  -1.019
  653   2HH2  ARG  84          1HH       ARG  84  -5.380 -14.303  -1.802
  654    H    SER  85           H        SER  85  -9.355 -13.645  -9.128
  655    HA   SER  85           HA       SER  85  -7.181 -15.648  -8.774
  656   1HB   SER  85          2HB       SER  85  -9.581 -15.908  -7.506
  657   2HB   SER  85          3HB       SER  85  -9.955 -16.712  -9.040
  658    HG   SER  85           HG       SER  85  -9.004 -18.094  -7.427
  659    H    LYS  86           H        LYS  86  -7.286 -13.775 -10.785
  660    HA   LYS  86           HA       LYS  86  -7.238 -15.457 -13.075
  661   1HB   LYS  86          2HB       LYS  86  -9.804 -14.315 -12.598
  662   2HB   LYS  86          3HB       LYS  86  -9.095 -13.321 -13.874
  663   1HG   LYS  86          2HG       LYS  86  -8.556 -15.310 -15.195
  664   2HG   LYS  86          3HG       LYS  86  -9.143 -16.376 -13.913
  665   1HD   LYS  86          2HD       LYS  86 -10.966 -14.314 -15.206
  666   2HD   LYS  86          3HD       LYS  86 -10.687 -15.920 -15.907
  667   1HE   LYS  86          2HE       LYS  86 -11.166 -16.651 -13.339
  668   2HE   LYS  86          3HE       LYS  86 -12.131 -15.168 -13.378
  669   1HZ   LYS  86          1HZ       LYS  86 -12.360 -17.333 -15.375
  670   2HZ   LYS  86          2HZ       LYS  86 -13.312 -17.236 -14.040
  671   3HZ   LYS  86          3HZ       LYS  86 -13.380 -16.051 -15.184
  672    H    LEU  87           H        LEU  87  -7.982 -11.981 -12.655
  673    HA   LEU  87           HA       LEU  87  -6.875 -10.099 -13.248
  674   1HB   LEU  87          2HB       LEU  87  -4.418 -11.787 -12.608
  675   2HB   LEU  87          3HB       LEU  87  -4.346 -10.070 -12.948
  676    HG   LEU  87           HG       LEU  87  -6.367 -10.815 -10.899
  677   1HD1  LEU  87          1HD       LEU  87  -4.782 -12.352 -10.061
  678   2HD1  LEU  87          2HD       LEU  87  -3.400 -11.324 -10.503
  679   3HD1  LEU  87          3HD       LEU  87  -4.455 -10.868  -9.147
  680   1HD2  LEU  87          1HD       LEU  87  -5.592  -8.472 -11.676
  681   2HD2  LEU  87          2HD       LEU  87  -5.616  -8.744  -9.927
  682   3HD2  LEU  87          3HD       LEU  87  -4.079  -8.798 -10.795
  683    H    SER  88           H        SER  88  -4.759  -9.483 -14.853
  684    HA   SER  88           HA       SER  88  -4.041  -9.348 -16.992
  685   1HB   SER  88          2HB       SER  88  -2.959 -11.410 -16.708
  686   2HB   SER  88          3HB       SER  88  -4.468 -12.338 -16.782
  687    HG   SER  88           HG       SER  88  -4.664 -11.875 -18.910
  688    H    LYS  89           H        LYS  89  -5.534  -7.960 -18.040
  689    HA   LYS  89           HA       LYS  89  -7.099  -9.405 -19.988
  690   1HB   LYS  89          2HB       LYS  89  -8.405  -8.579 -17.597
  691   2HB   LYS  89          3HB       LYS  89  -8.809  -7.335 -18.770
  692   1HG   LYS  89          2HG       LYS  89  -9.226  -9.636 -20.268
  693   2HG   LYS  89          3HG       LYS  89  -9.566 -10.224 -18.644
  694   1HD   LYS  89          2HD       LYS  89 -11.162  -8.375 -18.300
  695   2HD   LYS  89          3HD       LYS  89 -10.814  -7.746 -19.929
  696   1HE   LYS  89          2HE       LYS  89 -11.897  -9.482 -21.011
  697   2HE   LYS  89          3HE       LYS  89 -11.565 -10.637 -19.713
  698   1HZ   LYS  89          1HZ       LYS  89 -13.208  -9.493 -18.360
  699   2HZ   LYS  89          2HZ       LYS  89 -13.577  -8.483 -19.607
  700   3HZ   LYS  89          3HZ       LYS  89 -13.875 -10.098 -19.736
  701    HA   PRO  90           HA       PRO  90  -5.764  -5.692 -22.057
  702   1HB   PRO  90          2HB       PRO  90  -7.368  -5.753 -24.332
  703   2HB   PRO  90          3HB       PRO  90  -5.886  -6.718 -24.089
  704   1HG   PRO  90          2HG       PRO  90  -8.728  -7.609 -23.972
  705   2HG   PRO  90          3HG       PRO  90  -7.255  -8.550 -24.336
  706   1HD   PRO  90          2HD       PRO  90  -8.681  -8.451 -21.887
  707   2HD   PRO  90          3HD       PRO  90  -7.073  -9.200 -22.150
  708    H    MET  91           H        MET  91  -9.315  -6.148 -22.328
  709    HA   MET  91           HA       MET  91 -11.060  -4.732 -22.198
  710   1HB   MET  91          2HB       MET  91 -10.447  -5.173 -19.831
  711   2HB   MET  91          3HB       MET  91  -9.597  -3.626 -19.780
  712   1HG   MET  91          2HG       MET  91 -12.365  -3.454 -20.852
  713   2HG   MET  91          3HG       MET  91 -12.281  -4.088 -19.213
  714   1HE   MET  91          1HE       MET  91 -12.456  -1.071 -17.170
  715   2HE   MET  91          2HE       MET  91 -13.595  -2.168 -17.986
  716   3HE   MET  91          3HE       MET  91 -12.145  -2.820 -17.181
  717    H    GLU  92           H        GLU  92 -10.828  -3.646 -24.152
  718    HA   GLU  92           HA       GLU  92  -9.150  -1.550 -24.760
  719   1HB   GLU  92          2HB       GLU  92 -11.587  -2.728 -25.846
  720   2HB   GLU  92          3HB       GLU  92 -11.684  -0.979 -25.991
  721   1HG   GLU  92          2HG       GLU  92  -9.431  -2.772 -26.988
  722   2HG   GLU  92          3HG       GLU  92 -10.636  -1.941 -27.985
  723    H    THR  93           H        THR  93  -9.020   0.612 -24.334
  724    HA   THR  93           HA       THR  93 -10.977   1.741 -22.405
  725    HB   THR  93           HB       THR  93  -7.939   1.624 -22.160
  726    HG1  THR  93          1HG       THR  93  -9.137  -0.130 -21.258
  727   1HG2  THR  93          1HG       THR  93  -9.929   3.284 -20.551
  728   2HG2  THR  93          2HG       THR  93  -8.234   3.007 -20.104
  729   3HG2  THR  93          3HG       THR  93  -8.612   3.905 -21.577
  730    H    LEU  94           H        LEU  94 -11.540   3.742 -22.982
  731    HA   LEU  94           HA       LEU  94 -11.690   5.735 -23.994
  732   1HB   LEU  94          2HB       LEU  94  -8.866   5.471 -23.378
  733   2HB   LEU  94          3HB       LEU  94  -9.039   6.376 -24.861
  734    HG   LEU  94           HG       LEU  94 -10.723   7.008 -22.411
  735   1HD1  LEU  94          1HD       LEU  94  -7.941   7.172 -22.369
  736   2HD1  LEU  94          2HD       LEU  94  -8.440   8.810 -22.815
  737   3HD1  LEU  94          3HD       LEU  94  -9.073   8.053 -21.337
  738   1HD2  LEU  94          1HD       LEU  94 -10.657   9.322 -23.533
  739   2HD2  LEU  94          2HD       LEU  94  -9.941   8.505 -24.942
  740   3HD2  LEU  94          3HD       LEU  94 -11.561   8.060 -24.395
  741    HHA  HEM  95          MHG       HEM  95  11.829  -0.379   8.497
  742    HHB  HEM  95          MHD       HEM  95   5.497  -0.210   9.500
  743    HHC  HEM  95          MHA       HEM  95   4.564  -0.744   3.155
  744    HHD  HEM  95          MHB       HEM  95  10.875  -0.077   2.139
  745   1HMA  HEM  95          1HM       HEM  95   6.590  -1.020  11.430
  746   2HMA  HEM  95          2HM       HEM  95   8.093  -0.672  12.265
  747   3HMA  HEM  95          3HM       HEM  95   7.088   0.660  11.666
  748   1HAA  HEM  95          1HP       HEM  95  10.188  -0.824  11.895
  749   2HAA  HEM  95          2HP       HEM  95  11.311   0.021  10.869
  750   1HBA  HEM  95          3HP       HEM  95  11.380  -2.684  11.592
  751   2HBA  HEM  95          4HP       HEM  95  12.442  -1.827  10.488
  752   1HMB  HEM  95          1HM       HEM  95   3.465  -1.295   8.935
  753   2HMB  HEM  95          2HM       HEM  95   3.119   0.421   8.795
  754   3HMB  HEM  95          3HM       HEM  95   2.130  -0.773   7.900
  755    HAB  HEM  95          AHT       HEM  95   2.529  -0.520   4.070
  756   1HBB  HEM  95          CHV       HEM  95   2.120  -2.562   6.208
  757   2HBB  HEM  95          THV       HEM  95   0.890  -1.986   4.923
  758   1HMC  HEM  95          1HM       HEM  95   5.206  -1.840   1.253
  759   2HMC  HEM  95          2HM       HEM  95   5.227  -0.246   0.447
  760   3HMC  HEM  95          3HM       HEM  95   6.322  -1.576  -0.059
  761    HAC  HEM  95          AHT       HEM  95   9.924  -0.520   0.138
  762   1HBC  HEM  95          THV       HEM  95   8.835   0.448  -1.752
  763   2HBC  HEM  95          CHV       HEM  95   7.199   0.422  -0.885
  764   1HMD  HEM  95          1HM       HEM  95  14.111   0.947   3.816
  765   2HMD  HEM  95          2HM       HEM  95  13.635  -0.586   3.044
  766   3HMD  HEM  95          3HM       HEM  95  12.830   0.939   2.617
  767   1HAD  HEM  95          1HP       HEM  95  14.573   0.328   5.857
  768   2HAD  HEM  95          2HP       HEM  95  13.973  -0.665   7.176
  769   1HBD  HEM  95          3HP       HEM  95  13.228   1.261   8.407
  770   2HBD  HEM  95          4HP       HEM  95  13.357   2.313   6.993
  Start of MODEL   10
    1   1H    ASP   1           H1       ASP   1  -8.622   2.023  10.611
    2   2H    ASP   1           H2       ASP   1  -9.732   2.454  11.742
    3   3H    ASP   1           H3       ASP   1  -8.556   1.366  12.150
    4    HA   ASP   1           HA       ASP   1  -9.445  -0.325  10.946
    5   1HB   ASP   1          2HB       ASP   1 -11.914   1.202  11.837
    6   2HB   ASP   1          3HB       ASP   1 -11.674  -0.564  11.781
    7    H    LYS   2           H        LYS   2 -11.028  -1.040   9.175
    8    HA   LYS   2           HA       LYS   2 -12.202   0.923   7.505
    9   1HB   LYS   2          2HB       LYS   2  -9.372   0.342   7.062
   10   2HB   LYS   2          3HB       LYS   2 -10.286  -0.169   5.655
   11   1HG   LYS   2          2HG       LYS   2 -10.770   2.566   6.899
   12   2HG   LYS   2          3HG       LYS   2  -9.414   2.305   5.808
   13   1HD   LYS   2          2HD       LYS   2 -10.952   1.627   4.020
   14   2HD   LYS   2          3HD       LYS   2 -12.316   1.667   5.135
   15   1HE   LYS   2          2HE       LYS   2 -12.535   3.710   4.065
   16   2HE   LYS   2          3HE       LYS   2 -11.670   4.148   5.547
   17   1HZ   LYS   2          1HZ       LYS   2  -9.618   4.121   4.256
   18   2HZ   LYS   2          2HZ       LYS   2 -10.451   3.713   2.894
   19   3HZ   LYS   2          3HZ       LYS   2 -10.699   5.176   3.605
   20    H    ASP   3           H        ASP   3 -12.326  -0.544   5.137
   21    HA   ASP   3           HA       ASP   3 -13.479  -3.125   5.958
   22   1HB   ASP   3          2HB       ASP   3 -15.172  -1.117   5.938
   23   2HB   ASP   3          3HB       ASP   3 -14.965  -1.159   4.182
   24    H    VAL   4           H        VAL   4 -14.480  -3.766   3.389
   25    HA   VAL   4           HA       VAL   4 -11.972  -3.826   1.849
   26    HB   VAL   4           HB       VAL   4 -14.353  -5.635   1.420
   27   1HG1  VAL   4          1HG       VAL   4 -11.699  -6.763   1.131
   28   2HG1  VAL   4          2HG       VAL   4 -12.993  -6.589  -0.071
   29   3HG1  VAL   4          3HG       VAL   4 -11.855  -5.264   0.183
   30   1HG2  VAL   4          1HG       VAL   4 -13.109  -7.254   2.955
   31   2HG2  VAL   4          2HG       VAL   4 -12.116  -5.878   3.491
   32   3HG2  VAL   4          3HG       VAL   4 -13.868  -5.901   3.799
   33    H    LYS   5           H        LYS   5 -12.418  -1.604   1.129
   34    HA   LYS   5           HA       LYS   5 -14.657  -1.370  -0.791
   35   1HB   LYS   5          2HB       LYS   5 -12.530   0.493   0.205
   36   2HB   LYS   5          3HB       LYS   5 -12.966   0.627  -1.500
   37   1HG   LYS   5          2HG       LYS   5 -15.445   0.630  -0.694
   38   2HG   LYS   5          3HG       LYS   5 -14.767   1.068   0.891
   39   1HD   LYS   5          2HD       LYS   5 -13.692   3.032  -0.098
   40   2HD   LYS   5          3HD       LYS   5 -14.124   2.458  -1.733
   41   1HE   LYS   5          2HE       LYS   5 -16.520   2.684  -1.171
   42   2HE   LYS   5          3HE       LYS   5 -16.063   3.482   0.347
   43   1HZ   LYS   5          1HZ       LYS   5 -15.678   5.352  -0.791
   44   2HZ   LYS   5          2HZ       LYS   5 -14.696   4.599  -1.877
   45   3HZ   LYS   5          3HZ       LYS   5 -16.321   4.645  -2.130
   46    H    TYR   6           H        TYR   6 -14.380  -3.088  -2.063
   47    HA   TYR   6           HA       TYR   6 -12.343  -4.053  -3.554
   48   1HB   TYR   6          2HB       TYR   6 -15.288  -3.597  -4.193
   49   2HB   TYR   6          3HB       TYR   6 -14.214  -4.447  -5.286
   50    HD1  TYR   6           HD1      TYR   6 -12.747  -6.340  -4.163
   51    HD2  TYR   6           HD2      TYR   6 -16.541  -4.976  -2.685
   52    HE1  TYR   6           HE1      TYR   6 -13.068  -8.528  -3.055
   53    HE2  TYR   6           HE2      TYR   6 -16.902  -7.161  -1.586
   54    HH   TYR   6           HH       TYR   6 -16.096  -9.358  -1.338
   55    H    TYR   7           H        TYR   7 -10.877  -2.430  -4.273
   56    HA   TYR   7           HA       TYR   7 -11.887  -0.423  -6.182
   57   1HB   TYR   7          2HB       TYR   7  -9.366  -0.760  -4.501
   58   2HB   TYR   7          3HB       TYR   7  -9.452   0.310  -5.806
   59    HD1  TYR   7           HD1      TYR   7 -11.925   1.721  -5.749
   60    HD2  TYR   7           HD2      TYR   7  -9.621   0.303  -2.402
   61    HE1  TYR   7           HE1      TYR   7 -12.798   3.581  -4.382
   62    HE2  TYR   7           HE2      TYR   7 -10.563   2.117  -0.999
   63    HH   TYR   7           HH       TYR   7 -11.532   4.264  -1.162
   64    H    THR   8           H        THR   8 -10.890  -0.174  -8.221
   65    HA   THR   8           HA       THR   8  -9.980  -2.733  -9.393
   66    HB   THR   8           HB       THR   8 -10.301  -1.345 -11.517
   67    HG1  THR   8          1HG       THR   8 -11.318   0.634 -11.278
   68   1HG2  THR   8          1HG       THR   8 -12.073  -2.849 -10.591
   69   2HG2  THR   8          2HG       THR   8 -12.745  -1.460  -9.701
   70   3HG2  THR   8          3HG       THR   8 -12.739  -1.464 -11.475
   71    H    LEU   9           H        LEU   9  -7.962  -2.830 -10.515
   72    HA   LEU   9           HA       LEU   9  -5.832  -1.460  -9.580
   73   1HB   LEU   9          2HB       LEU   9  -5.878  -2.164 -12.525
   74   2HB   LEU   9          3HB       LEU   9  -4.494  -1.954 -11.466
   75    HG   LEU   9           HG       LEU   9  -4.622  -4.243 -11.629
   76   1HD1  LEU   9          1HD       LEU   9  -6.321  -3.690  -9.176
   77   2HD1  LEU   9          2HD       LEU   9  -5.321  -5.110  -9.459
   78   3HD1  LEU   9          3HD       LEU   9  -4.550  -3.524  -9.246
   79   1HD2  LEU   9          1HD       LEU   9  -7.453  -3.740 -12.116
   80   2HD2  LEU   9          2HD       LEU   9  -6.444  -5.107 -12.595
   81   3HD2  LEU   9          3HD       LEU   9  -7.211  -5.093 -11.003
   82    H    GLU  10           H        GLU  10  -7.900  -0.286 -12.245
   83    HA   GLU  10           HA       GLU  10  -6.369   1.983 -12.940
   84   1HB   GLU  10          2HB       GLU  10  -8.868   0.865 -13.695
   85   2HB   GLU  10          3HB       GLU  10  -9.256   2.479 -13.103
   86   1HG   GLU  10          2HG       GLU  10  -8.776   2.671 -15.450
   87   2HG   GLU  10          3HG       GLU  10  -7.424   3.402 -14.577
   88    H    GLU  11           H        GLU  11  -8.770   1.543 -10.317
   89    HA   GLU  11           HA       GLU  11  -8.828   4.346  -9.623
   90   1HB   GLU  11          2HB       GLU  11 -10.665   2.904  -8.991
   91   2HB   GLU  11          3HB       GLU  11  -9.592   1.836  -8.081
   92   1HG   GLU  11          2HG       GLU  11 -10.845   3.420  -6.632
   93   2HG   GLU  11          3HG       GLU  11  -9.098   3.572  -6.468
   94    H    ILE  12           H        ILE  12  -7.035   1.472  -8.326
   95    HA   ILE  12           HA       ILE  12  -5.703   3.028  -6.351
   96    HB   ILE  12           HB       ILE  12  -5.041   0.414  -7.673
   97   1HG1  ILE  12          2HG       ILE  12  -6.035   0.532  -4.859
   98   2HG1  ILE  12          3HG       ILE  12  -7.161   1.130  -6.047
   99   1HG2  ILE  12          1HG       ILE  12  -3.905   0.076  -5.233
  100   2HG2  ILE  12          2HG       ILE  12  -3.042   0.559  -6.676
  101   3HG2  ILE  12          3HG       ILE  12  -3.570   1.800  -5.485
  102   1HD1  ILE  12          1HD       ILE  12  -6.795  -0.966  -7.404
  103   2HD1  ILE  12          2HD       ILE  12  -5.737  -1.540  -6.123
  104   3HD1  ILE  12          3HD       ILE  12  -7.487  -1.276  -5.820
  105    H    LYS  13           H        LYS  13  -5.048   2.529  -9.767
  106    HA   LYS  13           HA       LYS  13  -2.325   3.530  -9.843
  107   1HB   LYS  13          2HB       LYS  13  -4.546   3.085 -11.846
  108   2HB   LYS  13          3HB       LYS  13  -3.045   3.866 -12.342
  109   1HG   LYS  13          2HG       LYS  13  -1.730   1.978 -11.976
  110   2HG   LYS  13          3HG       LYS  13  -2.868   1.249 -10.845
  111   1HD   LYS  13          2HD       LYS  13  -3.833   0.064 -12.489
  112   2HD   LYS  13          3HD       LYS  13  -4.242   1.534 -13.356
  113   1HE   LYS  13          2HE       LYS  13  -3.024   0.101 -14.802
  114   2HE   LYS  13          3HE       LYS  13  -2.032   1.523 -14.456
  115   1HZ   LYS  13          1HZ       LYS  13  -1.206  -1.017 -14.207
  116   2HZ   LYS  13          2HZ       LYS  13  -0.515   0.257 -13.420
  117   3HZ   LYS  13          3HZ       LYS  13  -1.622  -0.678 -12.649
  118    H    LYS  14           H        LYS  14  -5.227   5.108  -9.078
  119    HA   LYS  14           HA       LYS  14  -4.197   7.734 -10.015
  120   1HB   LYS  14          2HB       LYS  14  -6.945   6.835  -9.067
  121   2HB   LYS  14          3HB       LYS  14  -6.528   8.496  -9.481
  122   1HG   LYS  14          2HG       LYS  14  -6.223   8.025 -11.760
  123   2HG   LYS  14          3HG       LYS  14  -6.005   6.290 -11.506
  124   1HD   LYS  14          2HD       LYS  14  -8.367   6.072 -10.817
  125   2HD   LYS  14          3HD       LYS  14  -8.597   7.811 -11.071
  126   1HE   LYS  14          2HE       LYS  14  -7.539   7.146 -13.483
  127   2HE   LYS  14          3HE       LYS  14  -8.205   5.566 -13.041
  128   1HZ   LYS  14          1HZ       LYS  14  -9.632   8.117 -13.377
  129   2HZ   LYS  14          2HZ       LYS  14  -9.901   6.697 -14.168
  130   3HZ   LYS  14          3HZ       LYS  14 -10.316   6.851 -12.578
  131    H    HIS  15           H        HIS  15  -2.997   6.178  -7.827
  132    HA   HIS  15           HA       HIS  15  -3.272   8.203  -5.664
  133   1HB   HIS  15          2HB       HIS  15  -3.253   5.194  -5.447
  134   2HB   HIS  15          3HB       HIS  15  -2.830   6.253  -4.096
  135    HD1  HIS  15           HD1      HIS  15  -4.700   6.931  -2.537
  136    HD2  HIS  15           HD2      HIS  15  -5.980   5.737  -6.360
  137    HE1  HIS  15           HE1      HIS  15  -7.219   7.247  -2.590
  138    H    ASN  16           H        ASN  16  -1.517   8.158  -7.803
  139    HA   ASN  16           HA       ASN  16   1.118   7.762  -6.440
  140   1HB   ASN  16          2HB       ASN  16   2.113   7.786  -8.780
  141   2HB   ASN  16          3HB       ASN  16   1.198   6.357  -8.335
  142   1HD2  ASN  16          1HD       ASN  16   0.046   9.565  -9.702
  143   2HD2  ASN  16          2HD       ASN  16  -0.854   8.720 -10.966
  144    H    HIS  17           H        HIS  17  -0.156   9.970  -5.563
  145    HA   HIS  17           HA       HIS  17   1.318  12.112  -6.936
  146   1HB   HIS  17          2HB       HIS  17  -0.708  13.602  -6.922
  147   2HB   HIS  17          3HB       HIS  17  -0.747  12.310  -8.108
  148    HD1  HIS  17           HD1      HIS  17  -2.880  13.766  -5.466
  149    HD2  HIS  17           HD2      HIS  17  -2.300  10.067  -7.381
  150    HE1  HIS  17           HE1      HIS  17  -4.999  12.350  -5.056
  151    H    SER  18           H        SER  18   1.025  14.204  -5.572
  152    HA   SER  18           HA       SER  18   1.801  13.496  -2.881
  153   1HB   SER  18          2HB       SER  18   2.525  15.457  -4.619
  154   2HB   SER  18          3HB       SER  18   1.359  16.357  -3.640
  155    HG   SER  18           HG       SER  18   3.734  15.022  -2.832
  156    H    LYS  19           H        LYS  19  -1.043  12.826  -3.476
  157    HA   LYS  19           HA       LYS  19  -2.174  14.119  -1.165
  158   1HB   LYS  19          2HB       LYS  19  -2.564  15.622  -3.335
  159   2HB   LYS  19          3HB       LYS  19  -3.871  14.486  -3.644
  160   1HG   LYS  19          2HG       LYS  19  -3.882  15.338  -0.833
  161   2HG   LYS  19          3HG       LYS  19  -3.825  16.744  -1.889
  162   1HD   LYS  19          2HD       LYS  19  -5.877  14.504  -2.141
  163   2HD   LYS  19          3HD       LYS  19  -6.129  16.002  -1.243
  164   1HE   LYS  19          2HE       LYS  19  -6.656  17.138  -3.084
  165   2HE   LYS  19          3HE       LYS  19  -5.118  16.709  -3.841
  166   1HZ   LYS  19          1HZ       LYS  19  -6.992  15.949  -5.139
  167   2HZ   LYS  19          2HZ       LYS  19  -6.138  14.653  -4.587
  168   3HZ   LYS  19          3HZ       LYS  19  -7.565  15.055  -3.881
  169    H    SER  20           H        SER  20  -1.459  11.427  -2.096
  170    HA   SER  20           HA       SER  20  -3.267   9.723  -1.023
  171   1HB   SER  20          2HB       SER  20  -4.288  10.564  -3.652
  172   2HB   SER  20          3HB       SER  20  -4.045   8.846  -3.499
  173    HG   SER  20           HG       SER  20  -6.090   9.471  -2.723
  174    H    THR  21           H        THR  21  -1.844   8.135  -0.686
  175    HA   THR  21           HA       THR  21  -0.148   7.069  -2.885
  176    HB   THR  21           HB       THR  21   0.510   7.441   0.063
  177    HG1  THR  21          1HG       THR  21   0.538   9.289  -1.417
  178   1HG2  THR  21          1HG       THR  21   1.543   5.428  -1.461
  179   2HG2  THR  21          2HG       THR  21   2.663   6.743  -1.858
  180   3HG2  THR  21          3HG       THR  21   2.402   6.265  -0.164
  181    H    TRP  22           H        TRP  22  -1.260   5.212  -3.328
  182    HA   TRP  22           HA       TRP  22  -1.990   3.459  -1.031
  183   1HB   TRP  22          2HB       TRP  22  -3.305   3.716  -3.762
  184   2HB   TRP  22          3HB       TRP  22  -3.509   2.303  -2.753
  185    HD1  TRP  22           HD1      TRP  22  -3.519   5.106  -0.427
  186    HE1  TRP  22           HE1      TRP  22  -5.822   5.795   0.226
  187    HE3  TRP  22           HE3      TRP  22  -6.046   2.681  -4.126
  188    HZ2  TRP  22           HZ2      TRP  22  -8.530   5.531  -0.884
  189    HZ3  TRP  22           HZ3      TRP  22  -8.495   3.017  -4.384
  190    HH2  TRP  22           HH2      TRP  22  -9.701   4.507  -2.856
  191    H    LEU  23           H        LEU  23  -1.907   1.084  -1.956
  192    HA   LEU  23           HA       LEU  23  -0.221   0.560  -4.184
  193   1HB   LEU  23          2HB       LEU  23   1.750  -0.336  -2.967
  194   2HB   LEU  23          3HB       LEU  23   1.598   1.389  -2.837
  195    HG   LEU  23           HG       LEU  23   0.458   1.013  -0.520
  196   1HD1  LEU  23          1HD       LEU  23  -0.051  -1.329  -0.568
  197   2HD1  LEU  23          2HD       LEU  23   1.565  -1.691  -1.214
  198   3HD1  LEU  23          3HD       LEU  23   1.344  -1.157   0.485
  199   1HD2  LEU  23          1HD       LEU  23   3.344   0.530  -1.288
  200   2HD2  LEU  23          2HD       LEU  23   2.603   1.924  -0.477
  201   3HD2  LEU  23          3HD       LEU  23   2.861   0.398   0.396
  202    H    ILE  24           H        ILE  24   0.501  -1.916  -3.921
  203    HA   ILE  24           HA       ILE  24  -1.865  -3.315  -2.842
  204    HB   ILE  24           HB       ILE  24  -0.126  -4.114  -5.245
  205   1HG1  ILE  24          2HG       ILE  24  -2.911  -2.943  -5.300
  206   2HG1  ILE  24          3HG       ILE  24  -1.437  -2.008  -5.635
  207   1HG2  ILE  24          1HG       ILE  24  -1.156  -6.050  -4.259
  208   2HG2  ILE  24          2HG       ILE  24  -2.682  -5.186  -4.009
  209   3HG2  ILE  24          3HG       ILE  24  -2.165  -5.629  -5.650
  210   1HD1  ILE  24          1HD       ILE  24  -2.644  -4.188  -7.327
  211   2HD1  ILE  24          2HD       ILE  24  -2.151  -2.547  -7.770
  212   3HD1  ILE  24          3HD       ILE  24  -0.915  -3.773  -7.450
  213    H    LEU  25           H        LEU  25  -0.951  -3.976  -0.841
  214    HA   LEU  25           HA       LEU  25   1.521  -5.609  -0.947
  215   1HB   LEU  25          2HB       LEU  25   0.159  -3.901   1.125
  216   2HB   LEU  25          3HB       LEU  25   1.009  -5.335   1.701
  217    HG   LEU  25           HG       LEU  25   2.249  -3.187  -0.041
  218   1HD1  LEU  25          1HD       LEU  25   1.590  -2.559   2.350
  219   2HD1  LEU  25          2HD       LEU  25   2.861  -3.719   2.850
  220   3HD1  LEU  25          3HD       LEU  25   3.286  -2.306   1.853
  221   1HD2  LEU  25          1HD       LEU  25   3.395  -5.028  -0.473
  222   2HD2  LEU  25          2HD       LEU  25   4.363  -4.264   0.747
  223   3HD2  LEU  25          3HD       LEU  25   3.345  -5.680   1.189
  224    H    HIS  26           H        HIS  26   0.907  -7.655  -1.479
  225    HA   HIS  26           HA       HIS  26  -0.116  -9.677  -1.369
  226   1HB   HIS  26          2HB       HIS  26  -0.580  -8.760   1.486
  227   2HB   HIS  26          3HB       HIS  26  -1.201 -10.289   0.897
  228    HD1  HIS  26           HD1      HIS  26   0.562 -12.212   0.309
  229    HD2  HIS  26           HD2      HIS  26   2.055  -8.635   1.965
  230    HE1  HIS  26           HE1      HIS  26   2.943 -12.712   1.134
  231    H    HIS  27           H        HIS  27  -1.568  -8.529  -3.030
  232    HA   HIS  27           HA       HIS  27  -3.631  -8.235  -3.916
  233   1HB   HIS  27          2HB       HIS  27  -5.181 -10.244  -3.418
  234   2HB   HIS  27          3HB       HIS  27  -3.618 -10.547  -4.144
  235    HD1  HIS  27           HD1      HIS  27  -2.003 -12.150  -2.883
  236    HD2  HIS  27           HD2      HIS  27  -5.350 -10.899  -0.655
  237    HE1  HIS  27           HE1      HIS  27  -2.011 -13.536  -0.728
  238    H    LYS  28           H        LYS  28  -3.324  -6.499  -1.896
  239    HA   LYS  28           HA       LYS  28  -6.030  -5.998  -0.918
  240   1HB   LYS  28          2HB       LYS  28  -3.617  -6.663   0.718
  241   2HB   LYS  28          3HB       LYS  28  -4.615  -5.310   1.283
  242   1HG   LYS  28          2HG       LYS  28  -6.332  -6.621   1.908
  243   2HG   LYS  28          3HG       LYS  28  -6.109  -7.779   0.586
  244   1HD   LYS  28          2HD       LYS  28  -4.524  -9.025   1.672
  245   2HD   LYS  28          3HD       LYS  28  -4.010  -7.696   2.735
  246   1HE   LYS  28          2HE       LYS  28  -6.113  -7.783   3.948
  247   2HE   LYS  28          3HE       LYS  28  -6.766  -8.998   2.834
  248   1HZ   LYS  28          1HZ       LYS  28  -5.242 -10.566   3.620
  249   2HZ   LYS  28          2HZ       LYS  28  -4.312  -9.453   4.398
  250   3HZ   LYS  28          3HZ       LYS  28  -5.811  -9.840   4.987
  251    H    VAL  29           H        VAL  29  -6.114  -3.682  -0.085
  252    HA   VAL  29           HA       VAL  29  -4.226  -2.032  -1.678
  253    HB   VAL  29           HB       VAL  29  -7.193  -2.210  -1.425
  254   1HG1  VAL  29          1HG       VAL  29  -7.162  -0.111  -0.688
  255   2HG1  VAL  29          2HG       VAL  29  -5.713   0.395  -1.608
  256   3HG1  VAL  29          3HG       VAL  29  -7.277   0.171  -2.429
  257   1HG2  VAL  29          1HG       VAL  29  -6.041  -3.043  -3.400
  258   2HG2  VAL  29          2HG       VAL  29  -7.218  -1.767  -3.727
  259   3HG2  VAL  29          3HG       VAL  29  -5.468  -1.392  -3.736
  260    H    TYR  30           H        TYR  30  -2.960  -0.876  -0.311
  261    HA   TYR  30           HA       TYR  30  -4.027  -0.207   2.372
  262   1HB   TYR  30          2HB       TYR  30  -1.274  -0.678   1.170
  263   2HB   TYR  30          3HB       TYR  30  -1.548   0.016   2.733
  264    HD1  TYR  30           HD1      TYR  30  -1.723  -1.317   4.622
  265    HD2  TYR  30           HD2      TYR  30  -2.403  -3.104   0.776
  266    HE1  TYR  30           HE1      TYR  30  -1.811  -3.553   5.672
  267    HE2  TYR  30           HE2      TYR  30  -2.437  -5.333   1.872
  268    HH   TYR  30           HH       TYR  30  -1.592  -5.800   5.293
  269    H    ASP  31           H        ASP  31  -3.336   1.916   3.204
  270    HA   ASP  31           HA       ASP  31  -2.748   3.950   1.140
  271   1HB   ASP  31          2HB       ASP  31  -5.048   4.157   1.952
  272   2HB   ASP  31          3HB       ASP  31  -4.487   4.247   3.625
  273    H    LEU  32           H        LEU  32  -0.804   4.665   1.497
  274    HA   LEU  32           HA       LEU  32   0.115   4.826   4.315
  275   1HB   LEU  32          2HB       LEU  32   2.114   4.816   2.112
  276   2HB   LEU  32          3HB       LEU  32   2.177   4.257   3.784
  277    HG   LEU  32           HG       LEU  32   1.187   2.804   1.331
  278   1HD1  LEU  32          1HD       LEU  32   2.683   1.035   2.392
  279   2HD1  LEU  32          2HD       LEU  32   3.486   2.503   1.844
  280   3HD1  LEU  32          3HD       LEU  32   3.148   2.239   3.584
  281   1HD2  LEU  32          1HD       LEU  32   0.146   2.445   4.073
  282   2HD2  LEU  32          2HD       LEU  32  -0.506   1.933   2.506
  283   3HD2  LEU  32          3HD       LEU  32   0.717   0.949   3.280
  284    H    THR  33           H        THR  33  -1.369   6.667   2.241
  285    HA   THR  33           HA       THR  33   0.256   8.983   1.775
  286    HB   THR  33           HB       THR  33  -2.460   8.223   1.401
  287    HG1  THR  33          1HG       THR  33  -1.072  10.622   0.808
  288   1HG2  THR  33          1HG       THR  33  -3.124   9.544   3.348
  289   2HG2  THR  33          2HG       THR  33  -2.174  10.923   2.704
  290   3HG2  THR  33          3HG       THR  33  -3.613  10.309   1.836
  291    H    LYS  34           H        LYS  34  -1.692   8.002   4.588
  292    HA   LYS  34           HA       LYS  34  -0.841  10.493   5.923
  293   1HB   LYS  34          2HB       LYS  34  -3.124   9.019   6.096
  294   2HB   LYS  34          3HB       LYS  34  -2.279   8.382   7.506
  295   1HG   LYS  34          2HG       LYS  34  -2.398  11.381   7.043
  296   2HG   LYS  34          3HG       LYS  34  -3.854  10.548   7.568
  297   1HD   LYS  34          2HD       LYS  34  -2.735   9.663   9.554
  298   2HD   LYS  34          3HD       LYS  34  -1.205  10.415   9.074
  299   1HE   LYS  34          2HE       LYS  34  -2.063  12.620   9.313
  300   2HE   LYS  34          3HE       LYS  34  -3.712  12.029   9.586
  301   1HZ   LYS  34          1HZ       LYS  34  -1.854  12.527  11.507
  302   2HZ   LYS  34          2HZ       LYS  34  -3.238  11.659  11.717
  303   3HZ   LYS  34          3HZ       LYS  34  -1.816  10.892  11.391
  304    H    PHE  35           H        PHE  35   0.761   7.786   5.213
  305    HA   PHE  35           HA       PHE  35   2.219   7.647   7.766
  306   1HB   PHE  35          2HB       PHE  35   0.883   5.680   7.007
  307   2HB   PHE  35          3HB       PHE  35   1.878   5.599   5.573
  308    HD1  PHE  35          1HD       PHE  35   3.510   3.977   5.574
  309    HD2  PHE  35          2HD       PHE  35   2.518   5.920   9.296
  310    HE1  PHE  35          1HE       PHE  35   5.109   2.551   6.726
  311    HE2  PHE  35          2HE       PHE  35   4.287   4.608  10.437
  312    HZ   PHE  35           HZ       PHE  35   5.630   2.970   9.161
  313    H    LEU  36           H        LEU  36   2.448   8.531   4.485
  314    HA   LEU  36           HA       LEU  36   5.209   8.014   3.822
  315   1HB   LEU  36          2HB       LEU  36   3.271  10.418   3.334
  316   2HB   LEU  36          3HB       LEU  36   4.901  10.383   2.648
  317    HG   LEU  36           HG       LEU  36   2.615   8.488   1.982
  318   1HD1  LEU  36          1HD       LEU  36   3.372   9.805  -0.310
  319   2HD1  LEU  36          2HD       LEU  36   1.989  10.230   0.710
  320   3HD1  LEU  36          3HD       LEU  36   3.534  11.077   0.915
  321   1HD2  LEU  36          1HD       LEU  36   4.151   7.752   0.180
  322   2HD2  LEU  36          2HD       LEU  36   5.453   8.701   0.934
  323   3HD2  LEU  36          3HD       LEU  36   4.709   7.362   1.826
  324    H    GLU  37           H        GLU  37   4.009  11.065   5.379
  325    HA   GLU  37           HA       GLU  37   6.722  11.611   6.215
  326   1HB   GLU  37          2HB       GLU  37   4.046  12.913   6.799
  327   2HB   GLU  37          3HB       GLU  37   5.582  13.540   7.413
  328   1HG   GLU  37          2HG       GLU  37   6.117  14.486   5.457
  329   2HG   GLU  37          3HG       GLU  37   5.898  12.977   4.583
  330    H    GLU  38           H        GLU  38   5.260   9.065   7.305
  331    HA   GLU  38           HA       GLU  38   6.128   9.488  10.097
  332   1HB   GLU  38          2HB       GLU  38   3.649   9.516   9.785
  333   2HB   GLU  38          3HB       GLU  38   3.764   7.908   9.054
  334   1HG   GLU  38          2HG       GLU  38   4.263   6.851  11.018
  335   2HG   GLU  38          3HG       GLU  38   4.995   8.293  11.740
  336    H    HIS  39           HN       HIS  39   6.402   7.522   7.250
  337    HA   HIS  39           HA       HIS  39   6.736   5.052   8.456
  338   1HB   HIS  39          2HB       HIS  39   6.118   5.207   6.187
  339   2HB   HIS  39          3HB       HIS  39   7.482   6.168   5.776
  340    HD1  HIS  39           HND      HIS  39   9.072   4.741   4.344
  341    HD2  HIS  39           HD       HIS  39   7.134   2.541   7.341
  342    HE1  HIS  39           HE       HIS  39   9.736   2.310   4.021
  343    HA   PRO  40           HA       PRO  40  10.684   6.186  10.158
  344   1HB   PRO  40          2HB       PRO  40  11.117   3.965  11.744
  345   2HB   PRO  40          3HB       PRO  40   9.979   5.292  12.129
  346   1HG   PRO  40          2HG       PRO  40   9.387   2.570  11.066
  347   2HG   PRO  40          3HG       PRO  40   8.415   3.578  12.171
  348   1HD   PRO  40          2HD       PRO  40   7.999   3.271   9.411
  349   2HD   PRO  40          3HD       PRO  40   7.349   4.591  10.432
  350    H    GLY  41           H        GLY  41  11.478   6.056   7.918
  351   1HA   GLY  41          2HA       GLY  41  13.818   4.607   7.582
  352   2HA   GLY  41          3HA       GLY  41  12.544   3.642   6.804
  353    H    GLY  42           H        GLY  42  10.884   5.310   5.559
  354   1HA   GLY  42          2HA       GLY  42  12.253   7.449   4.178
  355   2HA   GLY  42          3HA       GLY  42  12.003   6.017   3.160
  356    H    GLU  43           H        GLU  43  10.659   7.642   2.050
  357    HA   GLU  43           HA       GLU  43   7.784   7.525   2.774
  358   1HB   GLU  43          2HB       GLU  43   7.842   9.931   1.729
  359   2HB   GLU  43          3HB       GLU  43   8.174   9.683   3.442
  360   1HG   GLU  43          2HG       GLU  43  10.344  10.329   3.323
  361   2HG   GLU  43          3HG       GLU  43  10.609   9.735   1.704
  362    H    GLU  44           H        GLU  44  10.092   8.577   0.496
  363    HA   GLU  44           HA       GLU  44   8.551   8.299  -1.898
  364   1HB   GLU  44          2HB       GLU  44  10.776   9.484  -1.941
  365   2HB   GLU  44          3HB       GLU  44  11.573   7.897  -1.977
  366   1HG   GLU  44          2HG       GLU  44  10.505   7.297  -4.075
  367   2HG   GLU  44          3HG       GLU  44   9.369   8.638  -3.953
  368    H    VAL  45           H        VAL  45  10.447   5.868  -0.130
  369    HA   VAL  45           HA       VAL  45  10.103   3.768  -2.025
  370    HB   VAL  45           HB       VAL  45   9.934   2.352   0.111
  371   1HG1  VAL  45          1HG       VAL  45  11.957   2.617  -1.283
  372   2HG1  VAL  45          2HG       VAL  45  12.407   4.053  -0.342
  373   3HG1  VAL  45          3HG       VAL  45  12.343   2.451   0.439
  374   1HG2  VAL  45          1HG       VAL  45   9.434   4.640   1.482
  375   2HG2  VAL  45          2HG       VAL  45  10.190   3.195   2.156
  376   3HG2  VAL  45          3HG       VAL  45  11.202   4.547   1.642
  377    H    LEU  46           H        LEU  46   7.631   5.178   0.494
  378    HA   LEU  46           HA       LEU  46   5.808   3.129  -0.494
  379   1HB   LEU  46          2HB       LEU  46   5.047   5.800   0.536
  380   2HB   LEU  46          3HB       LEU  46   4.230   4.268   0.762
  381    HG   LEU  46           HG       LEU  46   6.721   5.362   2.157
  382   1HD1  LEU  46          1HD       LEU  46   4.695   5.817   3.341
  383   2HD1  LEU  46          2HD       LEU  46   4.164   4.151   3.122
  384   3HD1  LEU  46          3HD       LEU  46   5.518   4.501   4.180
  385   1HD2  LEU  46          1HD       LEU  46   6.790   2.982   3.265
  386   2HD2  LEU  46          2HD       LEU  46   6.052   2.446   1.748
  387   3HD2  LEU  46          3HD       LEU  46   7.634   3.265   1.767
  388    H    ARG  47           H        ARG  47   6.894   6.127  -2.019
  389    HA   ARG  47           HA       ARG  47   4.532   6.295  -3.728
  390   1HB   ARG  47          2HB       ARG  47   5.702   8.332  -2.881
  391   2HB   ARG  47          3HB       ARG  47   7.106   7.879  -3.843
  392   1HG   ARG  47          2HG       ARG  47   4.895   7.879  -5.665
  393   2HG   ARG  47          3HG       ARG  47   4.653   9.279  -4.652
  394   1HD   ARG  47          2HD       ARG  47   6.611  10.327  -5.368
  395   2HD   ARG  47          3HD       ARG  47   7.421   8.794  -5.748
  396    HE   ARG  47           HE       ARG  47   5.180   9.186  -7.467
  397   1HH1  ARG  47          2HH       ARG  47   8.598  10.131  -6.938
  398   2HH1  ARG  47          1HH       ARG  47   8.900  10.453  -8.590
  399   1HH2  ARG  47          2HH       ARG  47   5.633   9.554  -9.708
  400   2HH2  ARG  47          1HH       ARG  47   7.191  10.097 -10.210
  401    H    GLU  48           H        GLU  48   7.752   4.872  -3.925
  402    HA   GLU  48           HA       GLU  48   7.944   4.938  -6.852
  403   1HB   GLU  48          2HB       GLU  48   9.509   3.901  -4.549
  404   2HB   GLU  48          3HB       GLU  48   9.631   2.902  -5.984
  405   1HG   GLU  48          2HG       GLU  48   9.931   5.878  -6.359
  406   2HG   GLU  48          3HG       GLU  48  11.234   5.019  -5.538
  407    H    GLN  49           H        GLN  49   6.254   3.017  -4.574
  408    HA   GLN  49           HA       GLN  49   5.528   1.023  -6.671
  409   1HB   GLN  49          2HB       GLN  49   5.592   0.906  -3.645
  410   2HB   GLN  49          3HB       GLN  49   5.089  -0.438  -4.698
  411   1HG   GLN  49          2HG       GLN  49   7.890   0.804  -4.781
  412   2HG   GLN  49          3HG       GLN  49   7.431  -0.574  -3.807
  413   1HE2  GLN  49          1HE       GLN  49   9.355  -1.478  -5.367
  414   2HE2  GLN  49          2HE       GLN  49   8.666  -2.245  -6.783
  415    H    ALA  50           H        ALA  50   4.475   3.799  -5.621
  416    HA   ALA  50           HA       ALA  50   1.984   3.387  -4.415
  417   1HB   ALA  50          1HB       ALA  50   1.518   5.601  -4.774
  418   2HB   ALA  50          2HB       ALA  50   3.245   5.660  -5.139
  419   3HB   ALA  50          3HB       ALA  50   2.090   5.569  -6.456
  420    H    GLY  51           H        GLY  51  -0.080   2.919  -5.207
  421   1HA   GLY  51          2HA       GLY  51  -1.658   2.025  -6.595
  422   2HA   GLY  51          3HA       GLY  51  -0.931   2.975  -7.888
  423    H    GLY  52           H        GLY  52   1.197   0.652  -6.279
  424   1HA   GLY  52          2HA       GLY  52   1.089  -1.209  -8.569
  425   2HA   GLY  52          3HA       GLY  52   2.556  -0.313  -8.113
  426    H    ASP  53           H        ASP  53   2.940  -2.895  -8.047
  427    HA   ASP  53           HA       ASP  53   2.129  -4.201  -5.641
  428   1HB   ASP  53          2HB       ASP  53   3.845  -5.906  -6.812
  429   2HB   ASP  53          3HB       ASP  53   2.150  -5.721  -7.252
  430    H    ALA  54           H        ALA  54   3.036  -3.259  -3.841
  431    HA   ALA  54           HA       ALA  54   6.021  -3.181  -3.727
  432   1HB   ALA  54          1HB       ALA  54   5.864  -1.578  -2.173
  433   2HB   ALA  54          2HB       ALA  54   4.246  -1.320  -2.830
  434   3HB   ALA  54          3HB       ALA  54   4.447  -2.290  -1.365
  435    H    THR  55           H        THR  55   3.720  -5.471  -3.234
  436    HA   THR  55           HA       THR  55   4.325  -6.714  -0.858
  437    HB   THR  55           HB       THR  55   3.863  -8.203  -3.488
  438    HG1  THR  55          1HG       THR  55   2.274  -6.671  -3.559
  439   1HG2  THR  55          1HG       THR  55   2.265  -9.387  -1.783
  440   2HG2  THR  55          2HG       THR  55   4.007  -9.718  -1.676
  441   3HG2  THR  55          3HG       THR  55   3.248  -8.569  -0.551
  442    H    GLU  56           H        GLU  56   6.251  -6.830  -3.879
  443    HA   GLU  56           HA       GLU  56   8.259  -8.576  -2.634
  444   1HB   GLU  56          2HB       GLU  56   7.919  -7.138  -5.313
  445   2HB   GLU  56          3HB       GLU  56   9.482  -7.836  -4.864
  446   1HG   GLU  56          2HG       GLU  56   8.248 -10.012  -4.376
  447   2HG   GLU  56          3HG       GLU  56   6.873  -9.309  -5.239
  448    H    ASN  57           H        ASN  57   7.574  -5.930  -1.355
  449    HA   ASN  57           HA       ASN  57  10.421  -5.079  -1.105
  450   1HB   ASN  57          2HB       ASN  57   8.164  -3.429  -1.945
  451   2HB   ASN  57          3HB       ASN  57   8.750  -2.882  -0.376
  452   1HD2  ASN  57          1HD       ASN  57   8.962  -1.786  -3.202
  453   2HD2  ASN  57          2HD       ASN  57  10.692  -1.396  -3.297
  454    H    PHE  58           H        PHE  58   7.322  -4.338   0.387
  455    HA   PHE  58           HA       PHE  58   8.105  -4.458   3.090
  456   1HB   PHE  58          2HB       PHE  58   5.821  -3.930   2.337
  457   2HB   PHE  58          3HB       PHE  58   5.519  -5.661   2.107
  458    HD1  PHE  58          1HD       PHE  58   6.437  -3.074   4.658
  459    HD2  PHE  58          2HD       PHE  58   4.632  -6.912   3.926
  460    HE1  PHE  58          1HE       PHE  58   5.613  -3.118   6.992
  461    HE2  PHE  58          2HE       PHE  58   3.752  -6.917   6.255
  462    HZ   PHE  58           HZ       PHE  58   4.286  -5.041   7.791
  463    H    GLU  59           H        GLU  59   7.411  -7.471   1.129
  464    HA   GLU  59           HA       GLU  59   8.158  -9.096   3.482
  465   1HB   GLU  59          2HB       GLU  59   6.950  -9.544   0.769
  466   2HB   GLU  59          3HB       GLU  59   7.818 -10.870   1.453
  467   1HG   GLU  59          2HG       GLU  59   6.056  -9.578   3.458
  468   2HG   GLU  59          3HG       GLU  59   5.193  -9.964   1.999
  469    H    ASP  60           H        ASP  60   9.572  -8.041   0.389
  470    HA   ASP  60           HA       ASP  60  11.599  -9.975   0.142
  471   1HB   ASP  60          2HB       ASP  60  11.003  -7.350  -0.947
  472   2HB   ASP  60          3HB       ASP  60  12.702  -7.390  -0.530
  473    H    VAL  61           H        VAL  61  11.641  -6.834   1.830
  474    HA   VAL  61           HA       VAL  61  14.238  -7.444   3.015
  475    HB   VAL  61           HB       VAL  61  14.131  -5.315   4.044
  476   1HG1  VAL  61          1HG       VAL  61  12.611  -4.878   1.450
  477   2HG1  VAL  61          2HG       VAL  61  13.887  -3.886   2.174
  478   3HG1  VAL  61          3HG       VAL  61  14.286  -5.466   1.476
  479   1HG2  VAL  61          1HG       VAL  61  12.017  -5.164   5.094
  480   2HG2  VAL  61          2HG       VAL  61  11.974  -3.909   3.844
  481   3HG2  VAL  61          3HG       VAL  61  11.133  -5.450   3.578
  482    H    GLY  62           H        GLY  62  10.802  -7.800   4.023
  483   1HA   GLY  62          2HA       GLY  62  10.077  -9.382   5.533
  484   2HA   GLY  62          3HA       GLY  62  11.768  -9.794   5.912
  485    H    HIS  63           HN       HIS  63   9.503  -7.060   6.147
  486    HA   HIS  63           HA       HIS  63  10.883  -5.375   7.685
  487   1HB   HIS  63          2HB       HIS  63   7.934  -5.909   7.346
  488   2HB   HIS  63          3HB       HIS  63   8.410  -4.826   8.642
  489    HD1  HIS  63           HND      HIS  63   9.355  -4.940   4.905
  490    HD2  HIS  63           HD       HIS  63   8.269  -2.423   8.082
  491    HE1  HIS  63           HE       HIS  63   9.334  -2.596   3.959
  492    H    SER  64           H        SER  64   8.234  -7.137   9.320
  493    HA   SER  64           HA       SER  64   9.410  -8.293  11.520
  494   1HB   SER  64          2HB       SER  64   9.164  -5.294  11.766
  495   2HB   SER  64          3HB       SER  64   8.730  -6.276  13.160
  496    HG   SER  64           HG       SER  64  11.112  -5.543  12.489
  497    H    THR  65           H        THR  65   7.747  -8.524  13.310
  498    HA   THR  65           HA       THR  65   5.205  -9.052  12.209
  499    HB   THR  65           HB       THR  65   6.316  -8.994  15.053
  500    HG1  THR  65          1HG       THR  65   6.661 -11.211  14.567
  501   1HG2  THR  65          1HG       THR  65   3.982 -10.649  14.034
  502   2HG2  THR  65          2HG       THR  65   4.584 -10.495  15.707
  503   3HG2  THR  65          3HG       THR  65   3.784  -9.124  14.931
  504    H    ASP  66           H        ASP  66   6.326  -6.625  14.715
  505    HA   ASP  66           HA       ASP  66   3.865  -5.333  15.123
  506   1HB   ASP  66          2HB       ASP  66   6.771  -4.519  15.305
  507   2HB   ASP  66          3HB       ASP  66   5.518  -3.288  15.484
  508    H    ALA  67           H        ALA  67   6.177  -5.080  12.474
  509    HA   ALA  67           HA       ALA  67   4.985  -2.729  11.286
  510   1HB   ALA  67          1HB       ALA  67   6.395  -4.744   9.580
  511   2HB   ALA  67          2HB       ALA  67   6.563  -2.973   9.648
  512   3HB   ALA  67          3HB       ALA  67   7.343  -3.978  10.879
  513    H    ARG  68           H        ARG  68   4.656  -6.300  10.760
  514    HA   ARG  68           HA       ARG  68   2.737  -6.243   8.742
  515   1HB   ARG  68          2HB       ARG  68   3.632  -8.222  10.641
  516   2HB   ARG  68          3HB       ARG  68   1.886  -8.259  10.534
  517   1HG   ARG  68          2HG       ARG  68   2.244  -9.620   8.813
  518   2HG   ARG  68          3HG       ARG  68   2.378  -8.147   7.876
  519   1HD   ARG  68          2HD       ARG  68   4.675  -8.446   7.543
  520   2HD   ARG  68          3HD       ARG  68   4.915  -9.093   9.156
  521    HE   ARG  68           HE       ARG  68   4.543 -11.205   8.462
  522   1HH1  ARG  68          2HH       ARG  68   3.748  -9.076   5.728
  523   2HH1  ARG  68          1HH       ARG  68   3.629 -10.392   4.600
  524   1HH2  ARG  68          2HH       ARG  68   4.291 -12.921   6.941
  525   2HH2  ARG  68          1HH       ARG  68   4.327 -12.467   5.283
  526    H    GLU  69           H        GLU  69   2.390  -5.619  12.300
  527    HA   GLU  69           HA       GLU  69  -0.503  -5.674  12.353
  528   1HB   GLU  69          2HB       GLU  69   1.642  -4.717  14.276
  529   2HB   GLU  69          3HB       GLU  69  -0.026  -4.245  14.524
  530   1HG   GLU  69          2HG       GLU  69  -0.123  -7.015  13.964
  531   2HG   GLU  69          3HG       GLU  69   1.260  -6.813  15.039
  532    H    LEU  70           H        LEU  70   1.828  -2.858  12.126
  533    HA   LEU  70           HA       LEU  70  -0.130  -0.868  12.120
  534   1HB   LEU  70          2HB       LEU  70   2.561  -1.288  10.802
  535   2HB   LEU  70          3HB       LEU  70   1.650   0.165  10.514
  536    HG   LEU  70           HG       LEU  70   1.970  -0.619  13.388
  537   1HD1  LEU  70          1HD       LEU  70   4.268   0.618  13.277
  538   2HD1  LEU  70          2HD       LEU  70   4.198  -1.096  12.842
  539   3HD1  LEU  70          3HD       LEU  70   4.268   0.140  11.562
  540   1HD2  LEU  70          1HD       LEU  70   0.775   1.385  12.628
  541   2HD2  LEU  70          2HD       LEU  70   2.215   1.823  13.579
  542   3HD2  LEU  70          3HD       LEU  70   2.247   1.954  11.801
  543    H    SER  71           H        SER  71   0.891  -3.099   9.522
  544    HA   SER  71           HA       SER  71  -0.434  -1.902   7.389
  545   1HB   SER  71          2HB       SER  71   0.179  -3.735   6.267
  546   2HB   SER  71          3HB       SER  71   1.000  -4.191   7.738
  547    HG   SER  71           HG       SER  71  -0.606  -5.552   8.240
  548    H    LYS  72           H        LYS  72  -1.878  -3.608  10.106
  549    HA   LYS  72           HA       LYS  72  -4.477  -4.085   9.029
  550   1HB   LYS  72          2HB       LYS  72  -3.320  -4.977  11.196
  551   2HB   LYS  72          3HB       LYS  72  -3.794  -3.449  11.922
  552   1HG   LYS  72          2HG       LYS  72  -5.730  -4.347  12.474
  553   2HG   LYS  72          3HG       LYS  72  -6.193  -4.373  10.779
  554   1HD   LYS  72          2HD       LYS  72  -4.566  -6.672  11.956
  555   2HD   LYS  72          3HD       LYS  72  -6.290  -6.543  12.264
  556   1HE   LYS  72          2HE       LYS  72  -6.643  -7.620  10.347
  557   2HE   LYS  72          3HE       LYS  72  -6.254  -6.090   9.559
  558   1HZ   LYS  72          1HZ       LYS  72  -3.832  -7.127   9.877
  559   2HZ   LYS  72          2HZ       LYS  72  -4.706  -8.517   9.741
  560   3HZ   LYS  72          3HZ       LYS  72  -4.759  -7.391   8.541
  561    H    THR  73           H        THR  73  -3.045  -1.163  10.577
  562    HA   THR  73           HA       THR  73  -5.671   0.166  10.428
  563    HB   THR  73           HB       THR  73  -3.986   0.352  12.356
  564    HG1  THR  73          1HG       THR  73  -5.666   1.541  12.605
  565   1HG2  THR  73          1HG       THR  73  -2.928   2.598  10.623
  566   2HG2  THR  73          2HG       THR  73  -2.553   2.304  12.324
  567   3HG2  THR  73          3HG       THR  73  -2.014   1.139  11.114
  568    H    PHE  74           H        PHE  74  -3.323  -0.548   8.187
  569    HA   PHE  74           HA       PHE  74  -3.471   2.051   6.724
  570   1HB   PHE  74          2HB       PHE  74  -1.782  -0.442   6.523
  571   2HB   PHE  74          3HB       PHE  74  -1.781   0.834   5.298
  572    HD1  PHE  74          1HD       PHE  74  -1.941   1.791   8.861
  573    HD2  PHE  74          2HD       PHE  74   0.532   0.907   5.487
  574    HE1  PHE  74          1HE       PHE  74   0.013   2.664  10.099
  575    HE2  PHE  74          2HE       PHE  74   2.475   1.868   6.643
  576    HZ   PHE  74           HZ       PHE  74   2.220   2.690   8.991
  577    H    ILE  75           H        ILE  75  -4.434  -1.416   6.460
  578    HA   ILE  75           HA       ILE  75  -5.071  -1.381   3.730
  579    HB   ILE  75           HB       ILE  75  -5.329  -3.125   5.940
  580   1HG1  ILE  75          2HG       ILE  75  -6.221  -3.796   3.143
  581   2HG1  ILE  75          3HG       ILE  75  -4.545  -3.387   3.476
  582   1HG2  ILE  75          1HG       ILE  75  -7.530  -4.187   5.614
  583   2HG2  ILE  75          2HG       ILE  75  -7.688  -2.552   6.250
  584   3HG2  ILE  75          3HG       ILE  75  -8.017  -2.879   4.526
  585   1HD1  ILE  75          1HD       ILE  75  -4.725  -5.767   3.630
  586   2HD1  ILE  75          2HD       ILE  75  -4.469  -5.143   5.262
  587   3HD1  ILE  75          3HD       ILE  75  -6.089  -5.673   4.755
  588    H    ILE  76           H        ILE  76  -6.434  -0.211   2.593
  589    HA   ILE  76           HA       ILE  76  -8.731   1.056   4.003
  590    HB   ILE  76           HB       ILE  76  -8.700   2.778   2.318
  591   1HG1  ILE  76          2HG       ILE  76  -6.398   2.766   0.866
  592   2HG1  ILE  76          3HG       ILE  76  -6.599   1.052   1.012
  593   1HG2  ILE  76          1HG       ILE  76  -7.222   2.797   4.423
  594   2HG2  ILE  76          2HG       ILE  76  -5.891   2.494   3.299
  595   3HG2  ILE  76          3HG       ILE  76  -6.880   3.966   3.128
  596   1HD1  ILE  76          1HD       ILE  76  -8.827   1.231  -0.032
  597   2HD1  ILE  76          2HD       ILE  76  -8.764   3.003   0.112
  598   3HD1  ILE  76          3HD       ILE  76  -7.682   2.148  -1.005
  599    H    GLY  77           H        GLY  77  -7.948  -1.505   1.892
  600   1HA   GLY  77          2HA       GLY  77 -10.585  -2.232   1.531
  601   2HA   GLY  77          3HA       GLY  77 -10.129  -1.321   0.071
  602    H    GLU  78           H        GLU  78 -10.422  -3.437  -1.055
  603    HA   GLU  78           HA       GLU  78  -7.899  -4.901  -1.033
  604   1HB   GLU  78          2HB       GLU  78  -9.602  -6.173   0.370
  605   2HB   GLU  78          3HB       GLU  78 -10.530  -6.421  -1.137
  606   1HG   GLU  78          2HG       GLU  78  -8.798  -7.746  -2.089
  607   2HG   GLU  78          3HG       GLU  78  -7.638  -7.167  -0.903
  608    H    LEU  79           H        LEU  79  -7.791  -6.196  -3.215
  609    HA   LEU  79           HA       LEU  79  -8.578  -4.380  -5.307
  610   1HB   LEU  79          2HB       LEU  79  -7.278  -7.146  -5.124
  611   2HB   LEU  79          3HB       LEU  79  -7.847  -6.528  -6.667
  612    HG   LEU  79           HG       LEU  79  -5.614  -6.015  -6.657
  613   1HD1  LEU  79          1HD       LEU  79  -5.578  -3.679  -6.946
  614   2HD1  LEU  79          2HD       LEU  79  -7.269  -4.162  -7.250
  615   3HD1  LEU  79          3HD       LEU  79  -6.812  -3.427  -5.700
  616   1HD2  LEU  79          1HD       LEU  79  -4.652  -4.472  -4.791
  617   2HD2  LEU  79          2HD       LEU  79  -5.934  -5.167  -3.788
  618   3HD2  LEU  79          3HD       LEU  79  -4.738  -6.228  -4.536
  619    H    HIS  80           H        HIS  80  -9.862  -4.953  -7.150
  620    HA   HIS  80           HA       HIS  80 -12.475  -5.613  -6.427
  621   1HB   HIS  80          2HB       HIS  80 -11.098  -4.836  -8.817
  622   2HB   HIS  80          3HB       HIS  80 -12.023  -6.282  -9.214
  623    HD1  HIS  80           HD1      HIS  80 -14.285  -5.468 -10.253
  624    HD2  HIS  80           HD2      HIS  80 -12.776  -3.035  -7.175
  625    HE1  HIS  80           HE1      HIS  80 -15.984  -3.586  -9.898
  626    HA   PRO  81           HA       PRO  81 -12.601  -9.915  -6.323
  627   1HB   PRO  81          2HB       PRO  81 -15.130 -10.566  -7.298
  628   2HB   PRO  81          3HB       PRO  81 -14.811  -9.847  -5.692
  629   1HG   PRO  81          2HG       PRO  81 -15.821  -8.507  -8.178
  630   2HG   PRO  81          3HG       PRO  81 -16.186  -8.140  -6.465
  631   1HD   PRO  81          2HD       PRO  81 -14.368  -6.797  -8.118
  632   2HD   PRO  81          3HD       PRO  81 -14.405  -6.682  -6.334
  633    H    ASP  82           H        ASP  82 -13.296  -8.460  -9.487
  634    HA   ASP  82           HA       ASP  82 -12.870 -10.865 -11.027
  635   1HB   ASP  82          2HB       ASP  82 -12.743  -7.889 -11.632
  636   2HB   ASP  82          3HB       ASP  82 -12.283  -9.096 -12.841
  637    H    ASP  83           H        ASP  83 -10.763  -8.547  -9.424
  638    HA   ASP  83           HA       ASP  83  -8.413  -9.189 -10.936
  639   1HB   ASP  83          2HB       ASP  83  -8.469  -7.852  -8.228
  640   2HB   ASP  83          3HB       ASP  83  -7.263  -7.684  -9.492
  641    H    ARG  84           H        ARG  84 -10.047 -11.206  -9.025
  642    HA   ARG  84           HA       ARG  84  -7.860 -12.010  -7.244
  643   1HB   ARG  84          2HB       ARG  84 -10.178 -11.907  -6.455
  644   2HB   ARG  84          3HB       ARG  84 -10.692 -13.090  -7.663
  645   1HG   ARG  84          2HG       ARG  84  -8.435 -13.855  -5.829
  646   2HG   ARG  84          3HG       ARG  84 -10.051 -13.763  -5.123
  647   1HD   ARG  84          2HD       ARG  84 -10.871 -15.543  -6.285
  648   2HD   ARG  84          3HD       ARG  84  -9.888 -15.225  -7.720
  649    HE   ARG  84           HE       ARG  84  -8.108 -15.974  -5.717
  650   1HH1  ARG  84          2HH       ARG  84 -10.743 -17.406  -7.570
  651   2HH1  ARG  84          1HH       ARG  84 -10.093 -19.007  -7.588
  652   1HH2  ARG  84          2HH       ARG  84  -7.239 -18.125  -5.646
  653   2HH2  ARG  84          1HH       ARG  84  -8.057 -19.427  -6.430
  654    H    SER  85           H        SER  85  -9.459 -13.201 -10.170
  655    HA   SER  85           HA       SER  85  -7.316 -14.787 -11.078
  656   1HB   SER  85          2HB       SER  85  -7.782 -16.237  -9.087
  657   2HB   SER  85          3HB       SER  85  -9.449 -16.431  -9.636
  658    HG   SER  85           HG       SER  85  -7.130 -17.229 -11.082
  659    H    LYS  86           H        LYS  86  -8.811 -12.979 -12.428
  660    HA   LYS  86           HA       LYS  86  -9.814 -14.719 -14.478
  661   1HB   LYS  86          2HB       LYS  86 -11.825 -13.695 -12.649
  662   2HB   LYS  86          3HB       LYS  86 -12.043 -12.910 -14.217
  663   1HG   LYS  86          2HG       LYS  86 -11.745 -15.316 -15.213
  664   2HG   LYS  86          3HG       LYS  86 -12.093 -15.862 -13.574
  665   1HD   LYS  86          2HD       LYS  86 -14.255 -15.731 -14.116
  666   2HD   LYS  86          3HD       LYS  86 -14.114 -13.966 -14.052
  667   1HE   LYS  86          2HE       LYS  86 -13.889 -13.766 -16.390
  668   2HE   LYS  86          3HE       LYS  86 -13.219 -15.395 -16.555
  669   1HZ   LYS  86          1HZ       LYS  86 -15.339 -15.537 -17.407
  670   2HZ   LYS  86          2HZ       LYS  86 -15.473 -16.206 -15.915
  671   3HZ   LYS  86          3HZ       LYS  86 -16.034 -14.679 -16.179
  672    H    LEU  87           H        LEU  87 -10.400 -11.320 -13.514
  673    HA   LEU  87           HA       LEU  87 -10.233  -9.373 -14.679
  674   1HB   LEU  87          2HB       LEU  87  -7.625 -10.727 -15.441
  675   2HB   LEU  87          3HB       LEU  87  -7.951  -9.018 -15.707
  676    HG   LEU  87           HG       LEU  87  -8.232 -10.267 -12.944
  677   1HD1  LEU  87          1HD       LEU  87  -5.733  -8.972 -14.057
  678   2HD1  LEU  87          2HD       LEU  87  -5.988  -9.630 -12.419
  679   3HD1  LEU  87          3HD       LEU  87  -5.965 -10.721 -13.813
  680   1HD2  LEU  87          1HD       LEU  87  -9.254  -8.121 -12.997
  681   2HD2  LEU  87          2HD       LEU  87  -7.627  -7.782 -12.392
  682   3HD2  LEU  87          3HD       LEU  87  -8.018  -7.452 -14.081
  683    H    SER  88           H        SER  88 -12.149 -10.418 -16.058
  684    HA   SER  88           HA       SER  88 -11.549  -9.645 -18.748
  685   1HB   SER  88          2HB       SER  88 -10.793 -12.214 -18.342
  686   2HB   SER  88          3HB       SER  88 -12.525 -12.488 -18.630
  687    HG   SER  88           HG       SER  88 -10.569 -11.340 -20.291
  688    H    LYS  89           H        LYS  89 -13.601  -9.898 -20.143
  689    HA   LYS  89           HA       LYS  89 -16.066 -10.451 -18.684
  690   1HB   LYS  89          2HB       LYS  89 -15.281  -8.111 -18.008
  691   2HB   LYS  89          3HB       LYS  89 -15.687  -7.576 -19.623
  692   1HG   LYS  89          2HG       LYS  89 -17.691  -9.055 -17.844
  693   2HG   LYS  89          3HG       LYS  89 -17.367  -7.339 -17.635
  694   1HD   LYS  89          2HD       LYS  89 -18.996  -6.964 -19.107
  695   2HD   LYS  89          3HD       LYS  89 -17.840  -7.441 -20.351
  696   1HE   LYS  89          2HE       LYS  89 -18.681  -9.879 -19.865
  697   2HE   LYS  89          3HE       LYS  89 -20.010  -9.089 -18.998
  698   1HZ   LYS  89          1HZ       LYS  89 -20.725  -9.422 -21.171
  699   2HZ   LYS  89          2HZ       LYS  89 -20.293  -7.815 -21.186
  700   3HZ   LYS  89          3HZ       LYS  89 -19.302  -8.989 -21.822
  701    HA   PRO  90           HA       PRO  90 -15.975 -11.102 -23.281
  702   1HB   PRO  90          2HB       PRO  90 -17.015 -13.683 -23.263
  703   2HB   PRO  90          3HB       PRO  90 -15.280 -13.274 -23.166
  704   1HG   PRO  90          2HG       PRO  90 -17.129 -14.137 -20.976
  705   2HG   PRO  90          3HG       PRO  90 -15.370 -14.412 -21.151
  706   1HD   PRO  90          2HD       PRO  90 -16.609 -12.464 -19.532
  707   2HD   PRO  90          3HD       PRO  90 -14.885 -12.465 -20.016
  708    H    MET  91           H        MET  91 -17.960 -11.781 -24.758
  709    HA   MET  91           HA       MET  91 -20.528 -11.155 -23.445
  710   1HB   MET  91          2HB       MET  91 -21.092  -9.609 -25.283
  711   2HB   MET  91          3HB       MET  91 -19.739  -8.982 -24.338
  712   1HG   MET  91          2HG       MET  91 -18.160  -9.475 -26.013
  713   2HG   MET  91          3HG       MET  91 -19.203 -10.632 -26.827
  714   1HE   MET  91          1HE       MET  91 -21.453  -8.838 -29.108
  715   2HE   MET  91          2HE       MET  91 -21.116 -10.281 -28.130
  716   3HE   MET  91          3HE       MET  91 -22.073  -8.945 -27.447
  717    H    GLU  92           H        GLU  92 -22.371 -11.780 -24.932
  718    HA   GLU  92           HA       GLU  92 -21.770 -13.166 -27.359
  719   1HB   GLU  92          2HB       GLU  92 -21.345 -14.855 -25.344
  720   2HB   GLU  92          3HB       GLU  92 -23.097 -14.832 -25.174
  721   1HG   GLU  92          2HG       GLU  92 -22.556 -16.688 -26.580
  722   2HG   GLU  92          3HG       GLU  92 -23.226 -15.450 -27.653
  723    H    THR  93           H        THR  93 -23.616 -12.575 -28.614
  724    HA   THR  93           HA       THR  93 -26.089 -11.923 -27.076
  725    HB   THR  93           HB       THR  93 -25.298  -9.930 -28.158
  726    HG1  THR  93          1HG       THR  93 -27.398 -10.896 -29.787
  727   1HG2  THR  93          1HG       THR  93 -25.134  -9.647 -30.558
  728   2HG2  THR  93          2HG       THR  93 -23.971 -10.884 -30.046
  729   3HG2  THR  93          3HG       THR  93 -25.492 -11.362 -30.836
  730    H    LEU  94           H        LEU  94 -28.041 -12.420 -28.310
  731    HA   LEU  94           HA       LEU  94 -28.123 -15.076 -29.523
  732   1HB   LEU  94          2HB       LEU  94 -30.006 -13.388 -28.339
  733   2HB   LEU  94          3HB       LEU  94 -30.262 -13.044 -30.038
  734    HG   LEU  94           HG       LEU  94 -31.796 -14.709 -29.292
  735   1HD1  LEU  94          1HD       LEU  94 -31.535 -16.425 -30.917
  736   2HD1  LEU  94          2HD       LEU  94 -30.778 -14.970 -31.603
  737   3HD1  LEU  94          3HD       LEU  94 -29.762 -16.251 -30.939
  738   1HD2  LEU  94          1HD       LEU  94 -31.361 -16.393 -27.869
  739   2HD2  LEU  94          2HD       LEU  94 -29.900 -16.905 -28.735
  740   3HD2  LEU  94          3HD       LEU  94 -29.816 -15.575 -27.572
  741    HHA  HEM  95          MHG       HEM  95  11.928   0.447   8.701
  742    HHB  HEM  95          MHD       HEM  95   5.568   0.057   9.412
  743    HHC  HEM  95          MHA       HEM  95   4.919  -0.895   3.093
  744    HHD  HEM  95          MHB       HEM  95  11.257   0.013   2.273
  745   1HMA  HEM  95          1HM       HEM  95   8.049   0.447  12.289
  746   2HMA  HEM  95          2HM       HEM  95   6.681   1.095  11.382
  747   3HMA  HEM  95          3HM       HEM  95   6.875  -0.662  11.566
  748   1HAA  HEM  95          1HP       HEM  95  10.200   0.360  12.048
  749   2HAA  HEM  95          2HP       HEM  95  11.324   0.958  10.860
  750   1HBA  HEM  95          3HP       HEM  95  12.430  -0.978  11.222
  751   2HBA  HEM  95          4HP       HEM  95  11.264  -1.668  10.100
  752   1HMB  HEM  95          1HM       HEM  95   3.444  -1.329   8.727
  753   2HMB  HEM  95          2HM       HEM  95   3.293   0.440   8.716
  754   3HMB  HEM  95          3HM       HEM  95   2.258  -0.556   7.669
  755    HAB  HEM  95          AHT       HEM  95   2.709  -0.559   4.024
  756   1HBB  HEM  95          CHV       HEM  95   2.445  -2.634   6.243
  757   2HBB  HEM  95          THV       HEM  95   1.211  -2.213   4.901
  758   1HMC  HEM  95          1HM       HEM  95   5.340  -0.667   0.842
  759   2HMC  HEM  95          2HM       HEM  95   6.664  -1.077  -0.252
  760   3HMC  HEM  95          3HM       HEM  95   6.110  -2.265   0.913
  761    HAC  HEM  95          AHT       HEM  95  10.379  -0.751   0.255
  762   1HBC  HEM  95          THV       HEM  95   9.536   0.459  -1.632
  763   2HBC  HEM  95          CHV       HEM  95   7.878   0.648  -0.817
  764   1HMD  HEM  95          1HM       HEM  95  13.550  -0.255   2.903
  765   2HMD  HEM  95          2HM       HEM  95  13.410   1.506   3.102
  766   3HMD  HEM  95          3HM       HEM  95  14.585   0.593   4.063
  767   1HAD  HEM  95          1HP       HEM  95  13.760   1.089   7.787
  768   2HAD  HEM  95          2HP       HEM  95  14.460   1.604   6.275
  769   1HBD  HEM  95          3HP       HEM  95  15.791  -0.133   7.449
  770   2HBD  HEM  95          4HP       HEM  95  15.329  -0.618   5.820
  Start of MODEL   11
    1   1H    ASP   1           H1       ASP   1 -17.981  -4.189  11.168
    2   2H    ASP   1           H2       ASP   1 -16.877  -3.357  10.279
    3   3H    ASP   1           H3       ASP   1 -17.998  -2.563  11.247
    4    HA   ASP   1           HA       ASP   1 -18.490  -2.613   8.779
    5   1HB   ASP   1          2HB       ASP   1 -20.239  -1.953  10.266
    6   2HB   ASP   1          3HB       ASP   1 -20.916  -3.162   9.174
    7    H    LYS   2           H        LYS   2 -19.952  -4.215   7.321
    8    HA   LYS   2           HA       LYS   2 -18.539  -6.820   7.446
    9   1HB   LYS   2          2HB       LYS   2 -20.778  -6.850   8.645
   10   2HB   LYS   2          3HB       LYS   2 -21.558  -6.581   7.095
   11   1HG   LYS   2          2HG       LYS   2 -19.597  -8.886   7.535
   12   2HG   LYS   2          3HG       LYS   2 -21.274  -8.988   8.067
   13   1HD   LYS   2          2HD       LYS   2 -21.768  -8.226   5.545
   14   2HD   LYS   2          3HD       LYS   2 -20.200  -9.002   5.262
   15   1HE   LYS   2          2HE       LYS   2 -22.548 -10.253   6.756
   16   2HE   LYS   2          3HE       LYS   2 -22.279 -10.450   5.018
   17   1HZ   LYS   2          1HZ       LYS   2 -20.427 -11.316   7.146
   18   2HZ   LYS   2          2HZ       LYS   2 -21.385 -12.296   6.231
   19   3HZ   LYS   2          3HZ       LYS   2 -20.153 -11.464   5.526
   20    H    ASP   3           H        ASP   3 -17.514  -5.114   5.801
   21    HA   ASP   3           HA       ASP   3 -17.854  -6.285   3.309
   22   1HB   ASP   3          2HB       ASP   3 -19.825  -4.272   3.628
   23   2HB   ASP   3          3HB       ASP   3 -18.522  -3.448   2.794
   24    H    VAL   4           H        VAL   4 -16.506  -4.666   1.613
   25    HA   VAL   4           HA       VAL   4 -14.385  -3.364   3.202
   26    HB   VAL   4           HB       VAL   4 -13.806  -5.024   0.736
   27   1HG1  VAL   4          1HG       VAL   4 -11.648  -4.869   2.617
   28   2HG1  VAL   4          2HG       VAL   4 -11.780  -4.113   1.031
   29   3HG1  VAL   4          3HG       VAL   4 -12.326  -3.248   2.489
   30   1HG2  VAL   4          1HG       VAL   4 -12.921  -6.789   2.209
   31   2HG2  VAL   4          2HG       VAL   4 -13.627  -5.964   3.624
   32   3HG2  VAL   4          3HG       VAL   4 -14.670  -6.642   2.350
   33    H    LYS   5           H        LYS   5 -13.386  -3.125   0.214
   34    HA   LYS   5           HA       LYS   5 -15.239  -0.927  -0.559
   35   1HB   LYS   5          2HB       LYS   5 -12.272  -0.780  -0.609
   36   2HB   LYS   5          3HB       LYS   5 -13.340   0.349  -1.442
   37   1HG   LYS   5          2HG       LYS   5 -13.406  -0.086   1.578
   38   2HG   LYS   5          3HG       LYS   5 -12.553   1.206   0.729
   39   1HD   LYS   5          2HD       LYS   5 -14.886   1.703  -0.381
   40   2HD   LYS   5          3HD       LYS   5 -15.495   0.870   1.078
   41   1HE   LYS   5          2HE       LYS   5 -13.818   2.382   2.371
   42   2HE   LYS   5          3HE       LYS   5 -13.659   3.301   0.868
   43   1HZ   LYS   5          1HZ       LYS   5 -16.194   2.842   2.307
   44   2HZ   LYS   5          2HZ       LYS   5 -15.311   4.231   2.370
   45   3HZ   LYS   5          3HZ       LYS   5 -16.006   3.762   0.952
   46    H    TYR   6           H        TYR   6 -12.939  -3.385  -1.624
   47    HA   TYR   6           HA       TYR   6 -12.378  -4.245  -3.553
   48   1HB   TYR   6          2HB       TYR   6 -15.302  -3.802  -4.180
   49   2HB   TYR   6          3HB       TYR   6 -14.291  -5.144  -4.711
   50    HD1  TYR   6           HD1      TYR   6 -13.254  -6.613  -2.691
   51    HD2  TYR   6           HD2      TYR   6 -16.727  -4.063  -2.349
   52    HE1  TYR   6           HE1      TYR   6 -14.050  -7.943  -0.766
   53    HE2  TYR   6           HE2      TYR   6 -17.544  -5.410  -0.462
   54    HH   TYR   6           HH       TYR   6 -17.293  -7.638   0.535
   55    H    TYR   7           H        TYR   7 -11.111  -2.138  -4.062
   56    HA   TYR   7           HA       TYR   7 -12.169  -0.274  -5.972
   57   1HB   TYR   7          2HB       TYR   7  -9.476  -0.876  -4.608
   58   2HB   TYR   7          3HB       TYR   7  -9.665   0.371  -5.751
   59    HD1  TYR   7           HD1      TYR   7  -9.909  -0.402  -2.311
   60    HD2  TYR   7           HD2      TYR   7 -11.661   2.098  -5.362
   61    HE1  TYR   7           HE1      TYR   7 -10.798   1.144  -0.574
   62    HE2  TYR   7           HE2      TYR   7 -12.565   3.607  -3.625
   63    HH   TYR   7           HH       TYR   7 -11.565   4.062  -0.882
   64    H    THR   8           H        THR   8 -11.060  -0.061  -8.182
   65    HA   THR   8           HA       THR   8 -10.278  -2.743  -9.189
   66    HB   THR   8           HB       THR   8 -10.540  -1.434 -11.402
   67    HG1  THR   8          1HG       THR   8 -12.057   0.392 -10.964
   68   1HG2  THR   8          1HG       THR   8 -12.155  -3.050 -10.514
   69   2HG2  THR   8          2HG       THR   8 -12.943  -1.783  -9.550
   70   3HG2  THR   8          3HG       THR   8 -12.992  -1.723 -11.331
   71    H    LEU   9           H        LEU   9  -8.382  -2.815 -10.637
   72    HA   LEU   9           HA       LEU   9  -6.085  -1.707  -9.503
   73   1HB   LEU   9          2HB       LEU   9  -6.313  -2.375 -12.454
   74   2HB   LEU   9          3HB       LEU   9  -4.859  -2.246 -11.478
   75    HG   LEU   9           HG       LEU   9  -5.169  -4.516 -11.684
   76   1HD1  LEU   9          1HD       LEU   9  -4.797  -3.806  -9.311
   77   2HD1  LEU   9          2HD       LEU   9  -6.552  -3.943  -9.036
   78   3HD1  LEU   9          3HD       LEU   9  -5.610  -5.376  -9.478
   79   1HD2  LEU   9          1HD       LEU   9  -7.876  -4.945 -10.674
   80   2HD2  LEU   9          2HD       LEU   9  -7.873  -3.942 -12.151
   81   3HD2  LEU   9          3HD       LEU   9  -7.086  -5.505 -12.159
   82    H    GLU  10           H        GLU  10  -8.166  -0.357 -12.068
   83    HA   GLU  10           HA       GLU  10  -6.518   1.875 -12.699
   84   1HB   GLU  10          2HB       GLU  10  -9.402   1.133 -13.074
   85   2HB   GLU  10          3HB       GLU  10  -9.008   2.860 -13.105
   86   1HG   GLU  10          2HG       GLU  10  -7.098   2.233 -14.736
   87   2HG   GLU  10          3HG       GLU  10  -7.943   0.691 -14.936
   88    H    GLU  11           H        GLU  11  -9.049   1.490 -10.066
   89    HA   GLU  11           HA       GLU  11  -8.913   4.200  -9.267
   90   1HB   GLU  11          2HB       GLU  11  -9.599   1.596  -7.849
   91   2HB   GLU  11          3HB       GLU  11  -9.647   3.144  -7.046
   92   1HG   GLU  11          2HG       GLU  11 -11.213   2.484  -9.566
   93   2HG   GLU  11          3HG       GLU  11 -11.862   2.400  -7.926
   94    H    ILE  12           H        ILE  12  -6.966   1.289  -8.342
   95    HA   ILE  12           HA       ILE  12  -5.572   2.734  -6.310
   96    HB   ILE  12           HB       ILE  12  -4.699   0.355  -7.939
   97   1HG1  ILE  12          2HG       ILE  12  -5.585   0.036  -5.134
   98   2HG1  ILE  12          3HG       ILE  12  -6.837   0.600  -6.187
   99   1HG2  ILE  12          1HG       ILE  12  -3.413   1.789  -5.659
  100   2HG2  ILE  12          2HG       ILE  12  -3.490   0.036  -5.463
  101   3HG2  ILE  12          3HG       ILE  12  -2.704   0.685  -6.888
  102   1HD1  ILE  12          1HD       ILE  12  -5.106  -1.699  -7.122
  103   2HD1  ILE  12          2HD       ILE  12  -6.441  -1.924  -5.965
  104   3HD1  ILE  12          3HD       ILE  12  -6.782  -1.297  -7.545
  105    H    LYS  13           H        LYS  13  -4.889   2.226  -9.787
  106    HA   LYS  13           HA       LYS  13  -2.334   3.615  -9.743
  107   1HB   LYS  13          2HB       LYS  13  -4.291   2.881 -11.954
  108   2HB   LYS  13          3HB       LYS  13  -2.759   3.713 -12.264
  109   1HG   LYS  13          2HG       LYS  13  -1.504   1.848 -11.953
  110   2HG   LYS  13          3HG       LYS  13  -2.362   1.426 -10.488
  111   1HD   LYS  13          2HD       LYS  13  -3.187  -0.315 -11.492
  112   2HD   LYS  13          3HD       LYS  13  -4.213   0.744 -12.468
  113   1HE   LYS  13          2HE       LYS  13  -2.898   0.589 -14.334
  114   2HE   LYS  13          3HE       LYS  13  -1.406   0.312 -13.414
  115   1HZ   LYS  13          1HZ       LYS  13  -2.231  -1.668 -14.588
  116   2HZ   LYS  13          2HZ       LYS  13  -2.078  -1.894 -12.966
  117   3HZ   LYS  13          3HZ       LYS  13  -3.570  -1.677 -13.631
  118    H    LYS  14           H        LYS  14  -5.709   4.636  -9.777
  119    HA   LYS  14           HA       LYS  14  -5.148   7.339 -10.627
  120   1HB   LYS  14          2HB       LYS  14  -7.499   5.809  -9.605
  121   2HB   LYS  14          3HB       LYS  14  -7.444   7.479  -9.076
  122   1HG   LYS  14          2HG       LYS  14  -6.980   8.010 -11.579
  123   2HG   LYS  14          3HG       LYS  14  -7.567   6.362 -11.886
  124   1HD   LYS  14          2HD       LYS  14  -9.680   6.880 -10.702
  125   2HD   LYS  14          3HD       LYS  14  -9.097   8.506 -10.317
  126   1HE   LYS  14          2HE       LYS  14  -9.568   7.377 -13.105
  127   2HE   LYS  14          3HE       LYS  14 -10.624   8.518 -12.259
  128   1HZ   LYS  14          1HZ       LYS  14  -7.987   9.501 -12.328
  129   2HZ   LYS  14          2HZ       LYS  14  -8.468   9.124 -13.853
  130   3HZ   LYS  14          3HZ       LYS  14  -9.351  10.177 -12.941
  131    H    HIS  15           H        HIS  15  -4.352   5.669  -7.691
  132    HA   HIS  15           HA       HIS  15  -3.811   8.327  -6.491
  133   1HB   HIS  15          2HB       HIS  15  -4.589   6.092  -4.724
  134   2HB   HIS  15          3HB       HIS  15  -4.738   7.820  -4.510
  135    HD1  HIS  15           HD1      HIS  15  -6.738   8.935  -6.290
  136    HD2  HIS  15           HD2      HIS  15  -6.790   4.847  -5.348
  137    HE1  HIS  15           HE1      HIS  15  -9.155   8.124  -6.646
  138    H    ASN  16           H        ASN  16  -1.740   8.312  -6.833
  139    HA   ASN  16           HA       ASN  16  -0.071   6.413  -5.367
  140   1HB   ASN  16          2HB       ASN  16   1.337   5.810  -7.284
  141   2HB   ASN  16          3HB       ASN  16  -0.343   5.393  -7.622
  142   1HD2  ASN  16          1HD       ASN  16  -1.594   6.888  -9.106
  143   2HD2  ASN  16          2HD       ASN  16  -0.667   7.846 -10.221
  144    H    HIS  17           H        HIS  17  -0.671   9.350  -5.238
  145    HA   HIS  17           HA       HIS  17   2.079  10.393  -5.560
  146   1HB   HIS  17          2HB       HIS  17   1.191  12.468  -6.502
  147   2HB   HIS  17          3HB       HIS  17   0.805  11.103  -7.541
  148    HD1  HIS  17           HD1      HIS  17  -0.855  13.932  -5.746
  149    HD2  HIS  17           HD2      HIS  17  -1.883  10.171  -7.358
  150    HE1  HIS  17           HE1      HIS  17  -3.399  13.901  -6.033
  151    H    SER  18           H        SER  18   2.154  12.567  -4.345
  152    HA   SER  18           HA       SER  18   1.519  12.154  -1.624
  153   1HB   SER  18          2HB       SER  18   2.492  14.514  -3.266
  154   2HB   SER  18          3HB       SER  18   2.281  14.602  -1.503
  155    HG   SER  18           HG       SER  18   4.314  13.897  -1.734
  156    H    LYS  19           H        LYS  19  -0.685  11.681  -1.723
  157    HA   LYS  19           HA       LYS  19  -2.441  13.692  -0.845
  158   1HB   LYS  19          2HB       LYS  19  -2.444  14.151  -3.439
  159   2HB   LYS  19          3HB       LYS  19  -3.228  12.585  -3.584
  160   1HG   LYS  19          2HG       LYS  19  -4.970  14.202  -3.562
  161   2HG   LYS  19          3HG       LYS  19  -5.008  13.439  -1.971
  162   1HD   LYS  19          2HD       LYS  19  -5.289  15.794  -1.657
  163   2HD   LYS  19          3HD       LYS  19  -3.656  15.423  -1.089
  164   1HE   LYS  19          2HE       LYS  19  -2.687  16.244  -3.187
  165   2HE   LYS  19          3HE       LYS  19  -4.305  16.441  -3.888
  166   1HZ   LYS  19          1HZ       LYS  19  -4.744  18.095  -2.156
  167   2HZ   LYS  19          2HZ       LYS  19  -3.190  17.967  -1.625
  168   3HZ   LYS  19          3HZ       LYS  19  -3.501  18.535  -3.137
  169    H    SER  20           H        SER  20  -2.226  10.610  -2.647
  170    HA   SER  20           HA       SER  20  -3.565   9.049  -0.535
  171   1HB   SER  20          2HB       SER  20  -4.740   9.588  -3.271
  172   2HB   SER  20          3HB       SER  20  -5.076   8.097  -2.368
  173    HG   SER  20           HG       SER  20  -6.637   9.562  -1.804
  174    H    THR  21           H        THR  21  -1.090   8.697  -0.777
  175    HA   THR  21           HA       THR  21   0.045   7.121  -2.829
  176    HB   THR  21           HB       THR  21   0.573   7.150   0.174
  177    HG1  THR  21          1HG       THR  21   0.875   9.173  -0.276
  178   1HG2  THR  21          1HG       THR  21   2.777   6.463  -0.314
  179   2HG2  THR  21          2HG       THR  21   1.740   5.361  -1.247
  180   3HG2  THR  21          3HG       THR  21   2.565   6.704  -2.066
  181    H    TRP  22           H        TRP  22  -1.778   5.573  -3.368
  182    HA   TRP  22           HA       TRP  22  -2.331   3.623  -1.217
  183   1HB   TRP  22          2HB       TRP  22  -3.265   3.916  -4.076
  184   2HB   TRP  22          3HB       TRP  22  -3.622   2.497  -3.109
  185    HD1  TRP  22           HD1      TRP  22  -3.682   5.629  -1.061
  186    HE1  TRP  22           HE1      TRP  22  -6.002   6.253  -0.466
  187    HE3  TRP  22           HE3      TRP  22  -6.051   2.349  -4.137
  188    HZ2  TRP  22           HZ2      TRP  22  -8.739   5.638  -1.533
  189    HZ3  TRP  22           HZ3      TRP  22  -8.489   2.422  -4.422
  190    HH2  TRP  22           HH2      TRP  22  -9.844   4.109  -3.170
  191    H    LEU  23           H        LEU  23  -2.057   1.271  -1.826
  192    HA   LEU  23           HA       LEU  23  -0.334   0.558  -3.991
  193   1HB   LEU  23          2HB       LEU  23   1.542  -0.318  -2.525
  194   2HB   LEU  23          3HB       LEU  23   1.493   1.401  -2.789
  195    HG   LEU  23           HG       LEU  23   0.281   1.589  -0.471
  196   1HD1  LEU  23          1HD       LEU  23   0.827  -0.253   1.049
  197   2HD1  LEU  23          2HD       LEU  23  -0.262  -0.789  -0.237
  198   3HD1  LEU  23          3HD       LEU  23   1.454  -1.173  -0.348
  199   1HD2  LEU  23          1HD       LEU  23   3.140   1.086  -1.174
  200   2HD2  LEU  23          2HD       LEU  23   2.388   2.442  -0.316
  201   3HD2  LEU  23          3HD       LEU  23   2.740   0.920   0.528
  202    H    ILE  24           H        ILE  24   0.152  -1.837  -3.863
  203    HA   ILE  24           HA       ILE  24  -2.103  -3.175  -2.464
  204    HB   ILE  24           HB       ILE  24  -0.592  -3.921  -5.028
  205   1HG1  ILE  24          2HG       ILE  24  -2.101  -2.149  -5.499
  206   2HG1  ILE  24          3HG       ILE  24  -2.825  -3.653  -6.057
  207   1HG2  ILE  24          1HG       ILE  24  -2.342  -5.731  -5.220
  208   2HG2  ILE  24          2HG       ILE  24  -1.143  -5.994  -3.968
  209   3HG2  ILE  24          3HG       ILE  24  -2.770  -5.432  -3.516
  210   1HD1  ILE  24          1HD       ILE  24  -3.562  -1.958  -3.647
  211   2HD1  ILE  24          2HD       ILE  24  -4.589  -2.508  -4.967
  212   3HD1  ILE  24          3HD       ILE  24  -4.069  -3.656  -3.735
  213    H    LEU  25           H        LEU  25  -1.294  -4.099  -0.677
  214    HA   LEU  25           HA       LEU  25   1.213  -5.660  -0.925
  215   1HB   LEU  25          2HB       LEU  25   0.179  -3.944   1.330
  216   2HB   LEU  25          3HB       LEU  25   1.259  -5.274   1.686
  217    HG   LEU  25           HG       LEU  25   1.920  -3.201  -0.426
  218   1HD1  LEU  25          1HD       LEU  25   3.044  -1.873   1.148
  219   2HD1  LEU  25          2HD       LEU  25   1.517  -2.253   1.958
  220   3HD1  LEU  25          3HD       LEU  25   3.007  -3.143   2.390
  221   1HD2  LEU  25          1HD       LEU  25   3.147  -5.202  -0.527
  222   2HD2  LEU  25          2HD       LEU  25   4.237  -3.961   0.113
  223   3HD2  LEU  25          3HD       LEU  25   3.538  -5.186   1.203
  224    H    HIS  26           H        HIS  26   0.569  -7.672  -1.238
  225    HA   HIS  26           HA       HIS  26  -0.529  -9.663  -0.934
  226   1HB   HIS  26          2HB       HIS  26  -1.072  -8.604   1.872
  227   2HB   HIS  26          3HB       HIS  26  -1.111 -10.278   1.351
  228    HD1  HIS  26           HD1      HIS  26   1.122 -11.565   1.697
  229    HD2  HIS  26           HD2      HIS  26   1.498  -7.376   1.689
  230    HE1  HIS  26           HE1      HIS  26   3.551 -11.031   2.315
  231    H    HIS  27           H        HIS  27  -2.200  -8.593  -2.509
  232    HA   HIS  27           HA       HIS  27  -4.306  -8.097  -3.132
  233   1HB   HIS  27          2HB       HIS  27  -5.284 -10.212  -1.202
  234   2HB   HIS  27          3HB       HIS  27  -5.851  -9.856  -2.828
  235    HD1  HIS  27           HD1      HIS  27  -3.740 -10.569  -4.753
  236    HD2  HIS  27           HD2      HIS  27  -3.793 -12.228  -0.885
  237    HE1  HIS  27           HE1      HIS  27  -2.197 -12.622  -4.801
  238    H    LYS  28           H        LYS  28  -3.624  -6.185  -1.268
  239    HA   LYS  28           HA       LYS  28  -6.254  -5.570  -0.153
  240   1HB   LYS  28          2HB       LYS  28  -3.819  -6.191   1.472
  241   2HB   LYS  28          3HB       LYS  28  -4.680  -4.733   1.933
  242   1HG   LYS  28          2HG       LYS  28  -6.141  -5.975   3.102
  243   2HG   LYS  28          3HG       LYS  28  -6.740  -6.625   1.620
  244   1HD   LYS  28          2HD       LYS  28  -6.157  -8.425   3.162
  245   2HD   LYS  28          3HD       LYS  28  -5.161  -8.486   1.721
  246   1HE   LYS  28          2HE       LYS  28  -3.543  -8.781   3.385
  247   2HE   LYS  28          3HE       LYS  28  -3.449  -7.043   3.125
  248   1HZ   LYS  28          1HZ       LYS  28  -5.192  -6.963   4.977
  249   2HZ   LYS  28          2HZ       LYS  28  -4.636  -8.466   5.368
  250   3HZ   LYS  28          3HZ       LYS  28  -3.607  -7.163   5.346
  251    H    VAL  29           H        VAL  29  -6.375  -3.204   0.372
  252    HA   VAL  29           HA       VAL  29  -4.430  -1.708  -1.293
  253    HB   VAL  29           HB       VAL  29  -7.413  -1.755  -1.088
  254   1HG1  VAL  29          1HG       VAL  29  -7.497   0.508  -2.146
  255   2HG1  VAL  29          2HG       VAL  29  -7.116   0.402  -0.424
  256   3HG1  VAL  29          3HG       VAL  29  -5.813   0.747  -1.590
  257   1HG2  VAL  29          1HG       VAL  29  -7.379  -1.492  -3.420
  258   2HG2  VAL  29          2HG       VAL  29  -5.649  -1.108  -3.381
  259   3HG2  VAL  29          3HG       VAL  29  -6.206  -2.760  -2.971
  260    H    TYR  30           H        TYR  30  -3.077  -0.703   0.061
  261    HA   TYR  30           HA       TYR  30  -4.130   0.311   2.629
  262   1HB   TYR  30          2HB       TYR  30  -1.409  -0.391   1.519
  263   2HB   TYR  30          3HB       TYR  30  -1.646   0.420   3.019
  264    HD1  TYR  30           HD1      TYR  30  -2.958  -0.840   4.884
  265    HD2  TYR  30           HD2      TYR  30  -1.633  -2.768   1.299
  266    HE1  TYR  30           HE1      TYR  30  -3.232  -3.090   5.955
  267    HE2  TYR  30           HE2      TYR  30  -1.675  -4.975   2.495
  268    HH   TYR  30           HH       TYR  30  -2.015  -5.285   5.846
  269    H    ASP  31           H        ASP  31  -3.428   2.484   3.200
  270    HA   ASP  31           HA       ASP  31  -2.834   4.306   0.929
  271   1HB   ASP  31          2HB       ASP  31  -5.137   4.619   1.708
  272   2HB   ASP  31          3HB       ASP  31  -4.556   4.781   3.381
  273    H    LEU  32           H        LEU  32  -0.656   4.226   1.331
  274    HA   LEU  32           HA       LEU  32   0.325   4.765   4.073
  275   1HB   LEU  32          2HB       LEU  32   1.858   4.282   1.503
  276   2HB   LEU  32          3HB       LEU  32   2.500   4.452   3.143
  277    HG   LEU  32           HG       LEU  32   1.073   2.134   1.898
  278   1HD1  LEU  32          1HD       LEU  32   3.600   2.658   2.540
  279   2HD1  LEU  32          2HD       LEU  32   3.093   2.022   4.114
  280   3HD1  LEU  32          3HD       LEU  32   2.968   1.024   2.660
  281   1HD2  LEU  32          1HD       LEU  32   0.909   2.787   4.863
  282   2HD2  LEU  32          2HD       LEU  32  -0.442   2.442   3.768
  283   3HD2  LEU  32          3HD       LEU  32   0.675   1.156   4.187
  284    H    THR  33           H        THR  33  -1.257   6.751   2.710
  285    HA   THR  33           HA       THR  33   0.526   8.943   1.845
  286    HB   THR  33           HB       THR  33  -2.268   8.385   1.652
  287    HG1  THR  33          1HG       THR  33  -2.088  10.376   0.504
  288   1HG2  THR  33          1HG       THR  33  -3.177  10.636   2.171
  289   2HG2  THR  33          2HG       THR  33  -2.728   9.792   3.634
  290   3HG2  THR  33          3HG       THR  33  -1.629  11.045   2.952
  291    H    LYS  34           H        LYS  34  -1.527   8.394   4.777
  292    HA   LYS  34           HA       LYS  34  -0.324  10.693   6.017
  293   1HB   LYS  34          2HB       LYS  34  -1.883  10.340   7.641
  294   2HB   LYS  34          3HB       LYS  34  -2.639   9.446   6.363
  295   1HG   LYS  34          2HG       LYS  34  -2.868   7.939   8.055
  296   2HG   LYS  34          3HG       LYS  34  -1.356   7.353   7.392
  297   1HD   LYS  34          2HD       LYS  34  -0.177   7.908   9.292
  298   2HD   LYS  34          3HD       LYS  34  -0.942   9.479   9.431
  299   1HE   LYS  34          2HE       LYS  34  -1.997   6.828  10.457
  300   2HE   LYS  34          3HE       LYS  34  -1.439   8.234  11.376
  301   1HZ   LYS  34          1HZ       LYS  34  -3.351   9.365  10.017
  302   2HZ   LYS  34          2HZ       LYS  34  -3.958   7.836   9.978
  303   3HZ   LYS  34          3HZ       LYS  34  -3.667   8.569  11.424
  304    H    PHE  35           H        PHE  35   0.922   7.677   5.283
  305    HA   PHE  35           HA       PHE  35   2.472   7.410   7.742
  306   1HB   PHE  35          2HB       PHE  35   0.994   5.565   6.797
  307   2HB   PHE  35          3HB       PHE  35   2.091   5.498   5.426
  308    HD1  PHE  35          1HD       PHE  35   2.754   5.893   9.139
  309    HD2  PHE  35          2HD       PHE  35   3.338   3.557   5.570
  310    HE1  PHE  35          1HE       PHE  35   4.367   4.480  10.340
  311    HE2  PHE  35          2HE       PHE  35   4.876   2.081   6.781
  312    HZ   PHE  35           HZ       PHE  35   5.498   2.645   9.180
  313    H    LEU  36           H        LEU  36   2.651   8.568   4.557
  314    HA   LEU  36           HA       LEU  36   5.290   7.919   3.727
  315   1HB   LEU  36          2HB       LEU  36   3.459  10.389   3.550
  316   2HB   LEU  36          3HB       LEU  36   5.117  10.525   2.988
  317    HG   LEU  36           HG       LEU  36   2.916   8.766   1.865
  318   1HD1  LEU  36          1HD       LEU  36   3.959  10.401  -0.137
  319   2HD1  LEU  36          2HD       LEU  36   2.440  10.648   0.746
  320   3HD1  LEU  36          3HD       LEU  36   3.915  11.462   1.286
  321   1HD2  LEU  36          1HD       LEU  36   4.562   8.201   0.103
  322   2HD2  LEU  36          2HD       LEU  36   5.831   9.009   1.065
  323   3HD2  LEU  36          3HD       LEU  36   4.992   7.579   1.697
  324    H    GLU  37           H        GLU  37   4.610  11.000   5.474
  325    HA   GLU  37           HA       GLU  37   7.351  11.008   6.402
  326   1HB   GLU  37          2HB       GLU  37   6.559  13.046   7.628
  327   2HB   GLU  37          3HB       GLU  37   6.511  13.109   5.879
  328   1HG   GLU  37          2HG       GLU  37   3.981  12.272   7.271
  329   2HG   GLU  37          3HG       GLU  37   4.494  13.946   7.483
  330    H    GLU  38           H        GLU  38   5.416   8.831   7.364
  331    HA   GLU  38           HA       GLU  38   6.142   9.031  10.242
  332   1HB   GLU  38          2HB       GLU  38   3.450   8.638   9.055
  333   2HB   GLU  38          3HB       GLU  38   3.875   7.485  10.318
  334   1HG   GLU  38          2HG       GLU  38   4.587   9.682  11.630
  335   2HG   GLU  38          3HG       GLU  38   3.464  10.453  10.506
  336    H    HIS  39           HN       HIS  39   6.724   7.321   7.401
  337    HA   HIS  39           HA       HIS  39   6.637   4.721   8.595
  338   1HB   HIS  39          2HB       HIS  39   6.030   4.811   6.327
  339   2HB   HIS  39          3HB       HIS  39   7.411   5.736   5.899
  340    HD1  HIS  39           HND      HIS  39   8.870   4.277   4.381
  341    HD2  HIS  39           HD       HIS  39   6.969   2.066   7.371
  342    HE1  HIS  39           HE       HIS  39   9.486   1.901   3.958
  343    HA   PRO  40           HA       PRO  40  10.758   5.266  10.250
  344   1HB   PRO  40          2HB       PRO  40  10.983   2.848  11.560
  345   2HB   PRO  40          3HB       PRO  40  10.047   4.245  12.166
  346   1HG   PRO  40          2HG       PRO  40   9.062   1.761  10.845
  347   2HG   PRO  40          3HG       PRO  40   8.281   2.736  12.121
  348   1HD   PRO  40          2HD       PRO  40   7.697   2.802   9.379
  349   2HD   PRO  40          3HD       PRO  40   7.252   4.069  10.567
  350    H    GLY  41           H        GLY  41  11.614   5.317   8.099
  351   1HA   GLY  41          2HA       GLY  41  13.742   3.722   7.569
  352   2HA   GLY  41          3HA       GLY  41  12.423   2.844   6.767
  353    H    GLY  42           H        GLY  42  10.842   4.558   5.559
  354   1HA   GLY  42          2HA       GLY  42  12.303   6.734   4.283
  355   2HA   GLY  42          3HA       GLY  42  11.936   5.363   3.217
  356    H    GLU  43           H        GLU  43  10.794   7.513   2.510
  357    HA   GLU  43           HA       GLU  43   7.864   7.126   2.945
  358   1HB   GLU  43          2HB       GLU  43   7.655   9.556   2.535
  359   2HB   GLU  43          3HB       GLU  43   8.623   9.173   3.969
  360   1HG   GLU  43          2HG       GLU  43  10.701   9.648   2.767
  361   2HG   GLU  43          3HG       GLU  43   9.798   9.987   1.286
  362    H    GLU  44           H        GLU  44  10.318   8.157   0.813
  363    HA   GLU  44           HA       GLU  44   8.838   8.371  -1.642
  364   1HB   GLU  44          2HB       GLU  44  11.154   9.265  -1.454
  365   2HB   GLU  44          3HB       GLU  44  11.777   7.608  -1.487
  366   1HG   GLU  44          2HG       GLU  44  10.305   7.582  -3.813
  367   2HG   GLU  44          3HG       GLU  44  10.615   9.296  -3.706
  368    H    VAL  45           H        VAL  45  10.495   5.551  -0.184
  369    HA   VAL  45           HA       VAL  45  10.078   3.745  -2.301
  370    HB   VAL  45           HB       VAL  45   9.877   2.066  -0.379
  371   1HG1  VAL  45          1HG       VAL  45  12.224   1.989  -0.132
  372   2HG1  VAL  45          2HG       VAL  45  11.952   2.732  -1.716
  373   3HG1  VAL  45          3HG       VAL  45  12.397   3.750  -0.337
  374   1HG2  VAL  45          1HG       VAL  45  10.350   2.672   1.824
  375   2HG2  VAL  45          2HG       VAL  45  10.954   4.277   1.382
  376   3HG2  VAL  45          3HG       VAL  45   9.220   3.939   1.328
  377    H    LEU  46           H        LEU  46   7.731   5.058   0.131
  378    HA   LEU  46           HA       LEU  46   5.737   3.129  -0.558
  379   1HB   LEU  46          2HB       LEU  46   5.284   5.960   0.357
  380   2HB   LEU  46          3HB       LEU  46   4.240   4.562   0.620
  381    HG   LEU  46           HG       LEU  46   6.883   5.257   1.949
  382   1HD1  LEU  46          1HD       LEU  46   4.277   5.759   2.715
  383   2HD1  LEU  46          2HD       LEU  46   4.689   4.295   3.630
  384   3HD1  LEU  46          3HD       LEU  46   5.695   5.735   3.769
  385   1HD2  LEU  46          1HD       LEU  46   6.688   3.055   3.161
  386   2HD2  LEU  46          2HD       LEU  46   5.591   2.521   1.867
  387   3HD2  LEU  46          3HD       LEU  46   7.248   2.963   1.496
  388    H    ARG  47           H        ARG  47   6.839   6.161  -2.090
  389    HA   ARG  47           HA       ARG  47   4.597   6.165  -3.947
  390   1HB   ARG  47          2HB       ARG  47   6.556   8.097  -3.147
  391   2HB   ARG  47          3HB       ARG  47   6.837   7.774  -4.851
  392   1HG   ARG  47          2HG       ARG  47   4.078   7.954  -4.799
  393   2HG   ARG  47          3HG       ARG  47   4.497   9.073  -3.512
  394   1HD   ARG  47          2HD       ARG  47   6.041   9.318  -6.076
  395   2HD   ARG  47          3HD       ARG  47   4.314   9.656  -6.182
  396    HE   ARG  47           HE       ARG  47   5.129  11.106  -3.985
  397   1HH1  ARG  47          2HH       ARG  47   6.079  10.940  -7.378
  398   2HH1  ARG  47          1HH       ARG  47   6.526  12.602  -7.523
  399   1HH2  ARG  47          2HH       ARG  47   5.700  13.345  -4.132
  400   2HH2  ARG  47          1HH       ARG  47   6.275  14.018  -5.619
  401    H    GLU  48           H        GLU  48   7.876   4.853  -3.954
  402    HA   GLU  48           HA       GLU  48   8.123   4.545  -6.816
  403   1HB   GLU  48          2HB       GLU  48   9.567   3.793  -4.353
  404   2HB   GLU  48          3HB       GLU  48   9.683   2.549  -5.579
  405   1HG   GLU  48          2HG       GLU  48  10.173   5.425  -6.379
  406   2HG   GLU  48          3HG       GLU  48  11.408   4.573  -5.452
  407    H    GLN  49           H        GLN  49   6.425   2.789  -4.326
  408    HA   GLN  49           HA       GLN  49   5.671   0.713  -6.351
  409   1HB   GLN  49          2HB       GLN  49   5.661   0.614  -3.319
  410   2HB   GLN  49          3HB       GLN  49   5.260  -0.710  -4.447
  411   1HG   GLN  49          2HG       GLN  49   7.995   0.614  -4.164
  412   2HG   GLN  49          3HG       GLN  49   7.504  -0.936  -3.498
  413   1HE2  GLN  49          1HE       GLN  49   9.724  -0.571  -5.363
  414   2HE2  GLN  49          2HE       GLN  49   9.262  -1.534  -6.756
  415    H    ALA  50           H        ALA  50   4.589   3.536  -5.143
  416    HA   ALA  50           HA       ALA  50   2.009   2.916  -4.182
  417   1HB   ALA  50          1HB       ALA  50   3.063   5.413  -5.553
  418   2HB   ALA  50          2HB       ALA  50   1.435   5.247  -4.861
  419   3HB   ALA  50          3HB       ALA  50   2.797   5.127  -3.800
  420    H    GLY  51           H        GLY  51  -0.028   2.971  -5.192
  421   1HA   GLY  51          2HA       GLY  51  -1.554   2.400  -6.830
  422   2HA   GLY  51          3HA       GLY  51  -0.550   3.315  -7.955
  423    H    GLY  52           H        GLY  52   0.988   0.591  -6.231
  424   1HA   GLY  52          2HA       GLY  52   0.747  -1.197  -8.543
  425   2HA   GLY  52          3HA       GLY  52   2.324  -0.461  -8.167
  426    H    ASP  53           H        ASP  53   2.567  -3.004  -8.013
  427    HA   ASP  53           HA       ASP  53   1.675  -4.172  -5.476
  428   1HB   ASP  53          2HB       ASP  53   2.682  -5.155  -8.056
  429   2HB   ASP  53          3HB       ASP  53   3.603  -5.847  -6.725
  430    H    ALA  54           H        ALA  54   2.719  -3.405  -3.700
  431    HA   ALA  54           HA       ALA  54   5.643  -2.896  -3.946
  432   1HB   ALA  54          1HB       ALA  54   4.033  -2.377  -1.446
  433   2HB   ALA  54          2HB       ALA  54   5.465  -1.545  -2.095
  434   3HB   ALA  54          3HB       ALA  54   3.875  -1.291  -2.831
  435    H    THR  55           H        THR  55   3.591  -5.491  -3.112
  436    HA   THR  55           HA       THR  55   4.600  -6.522  -0.814
  437    HB   THR  55           HB       THR  55   3.835  -8.172  -3.255
  438    HG1  THR  55          1HG       THR  55   2.108  -7.002  -3.305
  439   1HG2  THR  55          1HG       THR  55   3.769  -9.815  -1.730
  440   2HG2  THR  55          2HG       THR  55   4.191  -8.684  -0.431
  441   3HG2  THR  55          3HG       THR  55   2.492  -8.934  -0.863
  442    H    GLU  56           H        GLU  56   6.008  -6.762  -4.069
  443    HA   GLU  56           HA       GLU  56   7.984  -8.690  -3.625
  444   1HB   GLU  56          2HB       GLU  56   7.996  -6.103  -5.224
  445   2HB   GLU  56          3HB       GLU  56   9.274  -7.312  -5.345
  446   1HG   GLU  56          2HG       GLU  56   6.331  -7.970  -5.837
  447   2HG   GLU  56          3HG       GLU  56   7.390  -7.372  -7.109
  448    H    ASN  57           H        ASN  57   8.174  -5.110  -2.949
  449    HA   ASN  57           HA       ASN  57  10.812  -5.269  -1.822
  450   1HB   ASN  57          2HB       ASN  57   8.553  -3.215  -1.628
  451   2HB   ASN  57          3HB       ASN  57  10.107  -3.027  -0.825
  452   1HD2  ASN  57          1HD       ASN  57  11.591  -1.821  -1.949
  453   2HD2  ASN  57          2HD       ASN  57  11.642  -1.755  -3.703
  454    H    PHE  58           H        PHE  58   7.623  -4.821  -0.382
  455    HA   PHE  58           HA       PHE  58   8.187  -4.944   2.344
  456   1HB   PHE  58          2HB       PHE  58   5.952  -4.662   1.525
  457   2HB   PHE  58          3HB       PHE  58   5.916  -6.307   0.897
  458    HD1  PHE  58          1HD       PHE  58   5.995  -8.270   2.522
  459    HD2  PHE  58          2HD       PHE  58   5.179  -4.219   3.765
  460    HE1  PHE  58          1HE       PHE  58   5.019  -9.116   4.615
  461    HE2  PHE  58          2HE       PHE  58   4.151  -5.081   5.853
  462    HZ   PHE  58           HZ       PHE  58   4.089  -7.524   6.297
  463    H    GLU  59           H        GLU  59   8.118  -7.824   0.195
  464    HA   GLU  59           HA       GLU  59   8.824  -9.657   2.384
  465   1HB   GLU  59          2HB       GLU  59   8.033  -9.804  -0.500
  466   2HB   GLU  59          3HB       GLU  59   9.087 -11.085   0.056
  467   1HG   GLU  59          2HG       GLU  59   6.694 -10.392   1.761
  468   2HG   GLU  59          3HG       GLU  59   6.436 -11.270   0.252
  469    H    ASP  60           H        ASP  60  10.491  -8.039  -0.340
  470    HA   ASP  60           HA       ASP  60  12.866  -9.554  -0.389
  471   1HB   ASP  60          2HB       ASP  60  12.005  -7.514  -1.861
  472   2HB   ASP  60          3HB       ASP  60  12.900  -6.536  -0.714
  473    H    VAL  61           H        VAL  61  11.858  -6.806   1.566
  474    HA   VAL  61           HA       VAL  61  14.203  -7.037   3.336
  475    HB   VAL  61           HB       VAL  61  11.791  -5.187   3.552
  476   1HG1  VAL  61          1HG       VAL  61  14.299  -3.984   4.397
  477   2HG1  VAL  61          2HG       VAL  61  12.810  -4.255   5.322
  478   3HG1  VAL  61          3HG       VAL  61  14.065  -5.509   5.251
  479   1HG2  VAL  61          1HG       VAL  61  14.388  -4.561   2.081
  480   2HG2  VAL  61          2HG       VAL  61  12.805  -4.802   1.320
  481   3HG2  VAL  61          3HG       VAL  61  13.050  -3.430   2.395
  482    H    GLY  62           H        GLY  62  10.751  -7.890   3.436
  483   1HA   GLY  62          2HA       GLY  62  10.270  -9.962   4.509
  484   2HA   GLY  62          3HA       GLY  62  11.569  -9.654   5.675
  485    H    HIS  63           HN       HIS  63  11.096  -6.939   6.196
  486    HA   HIS  63           HA       HIS  63  10.206  -5.736   7.775
  487   1HB   HIS  63          2HB       HIS  63   7.693  -6.667   6.366
  488   2HB   HIS  63          3HB       HIS  63   7.520  -5.732   7.820
  489    HD1  HIS  63           HND      HIS  63   8.698  -5.372   4.266
  490    HD2  HIS  63           HD       HIS  63   8.056  -3.109   7.740
  491    HE1  HIS  63           HE       HIS  63   8.697  -2.949   3.530
  492    H    SER  64           H        SER  64   8.517  -5.801   9.802
  493    HA   SER  64           HA       SER  64   8.654  -8.504  11.022
  494   1HB   SER  64          2HB       SER  64   8.803  -7.189  13.162
  495   2HB   SER  64          3HB       SER  64  10.198  -6.954  12.086
  496    HG   SER  64           HG       SER  64   9.515  -4.933  12.723
  497    H    THR  65           H        THR  65   6.863  -8.637  12.841
  498    HA   THR  65           HA       THR  65   4.393  -8.274  11.592
  499    HB   THR  65           HB       THR  65   5.245  -8.908  14.428
  500    HG1  THR  65          1HG       THR  65   4.262 -10.565  12.357
  501   1HG2  THR  65          1HG       THR  65   2.988  -8.224  14.644
  502   2HG2  THR  65          2HG       THR  65   2.514  -8.967  13.100
  503   3HG2  THR  65          3HG       THR  65   2.924  -9.991  14.505
  504    H    ASP  66           H        ASP  66   6.207  -6.094  13.754
  505    HA   ASP  66           HA       ASP  66   4.112  -4.426  14.631
  506   1HB   ASP  66          2HB       ASP  66   6.980  -3.818  13.789
  507   2HB   ASP  66          3HB       ASP  66   5.922  -2.628  14.556
  508    H    ALA  67           H        ALA  67   5.820  -4.625  11.533
  509    HA   ALA  67           HA       ALA  67   4.422  -2.295  10.399
  510   1HB   ALA  67          1HB       ALA  67   5.433  -3.588   8.252
  511   2HB   ALA  67          2HB       ALA  67   6.382  -2.517   9.290
  512   3HB   ALA  67          3HB       ALA  67   6.502  -4.252   9.529
  513    H    ARG  68           H        ARG  68   4.229  -5.905  10.264
  514    HA   ARG  68           HA       ARG  68   2.491  -6.239   8.258
  515   1HB   ARG  68          2HB       ARG  68   3.288  -7.957   9.887
  516   2HB   ARG  68          3HB       ARG  68   1.746  -7.729  10.733
  517   1HG   ARG  68          2HG       ARG  68   0.673  -8.914   9.119
  518   2HG   ARG  68          3HG       ARG  68   1.135  -7.744   7.910
  519   1HD   ARG  68          2HD       ARG  68   2.522  -9.200   6.937
  520   2HD   ARG  68          3HD       ARG  68   3.472  -9.328   8.414
  521    HE   ARG  68           HE       ARG  68   0.963 -10.869   8.226
  522   1HH1  ARG  68          2HH       ARG  68   4.504 -10.937   8.042
  523   2HH1  ARG  68          1HH       ARG  68   4.639 -12.635   8.286
  524   1HH2  ARG  68          2HH       ARG  68   1.118 -13.144   8.523
  525   2HH2  ARG  68          1HH       ARG  68   2.656 -13.925   8.543
  526    H    GLU  69           H        GLU  69   2.014  -4.974  11.642
  527    HA   GLU  69           HA       GLU  69  -0.854  -4.860  11.948
  528   1HB   GLU  69          2HB       GLU  69   1.564  -4.255  13.612
  529   2HB   GLU  69          3HB       GLU  69   0.200  -3.184  13.890
  530   1HG   GLU  69          2HG       GLU  69  -1.236  -5.330  14.068
  531   2HG   GLU  69          3HG       GLU  69   0.311  -6.160  14.316
  532    H    LEU  70           H        LEU  70   1.624  -2.080  11.764
  533    HA   LEU  70           HA       LEU  70  -0.271  -0.102  11.729
  534   1HB   LEU  70          2HB       LEU  70   2.509  -0.502  10.642
  535   2HB   LEU  70          3HB       LEU  70   1.596   0.808   9.989
  536    HG   LEU  70           HG       LEU  70   2.843   1.837  11.575
  537   1HD1  LEU  70          1HD       LEU  70   0.353   1.300  13.198
  538   2HD1  LEU  70          2HD       LEU  70   1.304   2.799  13.080
  539   3HD1  LEU  70          3HD       LEU  70   0.302   2.280  11.706
  540   1HD2  LEU  70          1HD       LEU  70   3.594  -0.210  12.635
  541   2HD2  LEU  70          2HD       LEU  70   3.116   0.995  13.853
  542   3HD2  LEU  70          3HD       LEU  70   2.028  -0.376  13.471
  543    H    SER  71           H        SER  71   0.499  -2.349   9.058
  544    HA   SER  71           HA       SER  71  -0.973  -0.936   6.949
  545   1HB   SER  71          2HB       SER  71  -1.226  -3.809   6.934
  546   2HB   SER  71          3HB       SER  71  -0.379  -2.755   5.784
  547    HG   SER  71           HG       SER  71   1.428  -2.893   7.335
  548    H    LYS  72           H        LYS  72  -2.085  -3.032   9.582
  549    HA   LYS  72           HA       LYS  72  -4.707  -3.094   8.553
  550   1HB   LYS  72          2HB       LYS  72  -3.592  -4.388  10.499
  551   2HB   LYS  72          3HB       LYS  72  -4.000  -2.997  11.508
  552   1HG   LYS  72          2HG       LYS  72  -6.269  -3.938   9.832
  553   2HG   LYS  72          3HG       LYS  72  -5.652  -5.178  10.935
  554   1HD   LYS  72          2HD       LYS  72  -5.845  -3.574  12.831
  555   2HD   LYS  72          3HD       LYS  72  -6.496  -2.353  11.704
  556   1HE   LYS  72          2HE       LYS  72  -8.219  -4.217  11.066
  557   2HE   LYS  72          3HE       LYS  72  -7.693  -5.010  12.562
  558   1HZ   LYS  72          1HZ       LYS  72  -9.551  -3.660  13.063
  559   2HZ   LYS  72          2HZ       LYS  72  -8.246  -2.862  13.679
  560   3HZ   LYS  72          3HZ       LYS  72  -8.934  -2.353  12.272
  561    H    THR  73           H        THR  73  -3.064  -0.458  10.391
  562    HA   THR  73           HA       THR  73  -5.603   1.020  10.548
  563    HB   THR  73           HB       THR  73  -3.487   0.934  12.176
  564    HG1  THR  73          1HG       THR  73  -4.358   2.908  13.000
  565   1HG2  THR  73          1HG       THR  73  -3.072   3.604  10.802
  566   2HG2  THR  73          2HG       THR  73  -2.142   2.883  12.136
  567   3HG2  THR  73          3HG       THR  73  -2.029   2.198  10.514
  568    H    PHE  74           H        PHE  74  -3.249   0.546   8.160
  569    HA   PHE  74           HA       PHE  74  -3.918   3.032   6.661
  570   1HB   PHE  74          2HB       PHE  74  -1.921   0.860   6.061
  571   2HB   PHE  74          3HB       PHE  74  -2.068   2.440   5.285
  572    HD1  PHE  74          1HD       PHE  74   0.379   1.133   6.521
  573    HD2  PHE  74          2HD       PHE  74  -2.523   3.949   8.047
  574    HE1  PHE  74          1HE       PHE  74   2.040   2.037   8.108
  575    HE2  PHE  74          2HE       PHE  74  -0.867   4.735   9.715
  576    HZ   PHE  74           HZ       PHE  74   1.375   3.706   9.769
  577    H    ILE  75           H        ILE  75  -5.027  -0.307   6.816
  578    HA   ILE  75           HA       ILE  75  -5.486  -0.597   4.022
  579    HB   ILE  75           HB       ILE  75  -5.832  -2.111   6.398
  580   1HG1  ILE  75          2HG       ILE  75  -6.707  -3.061   3.681
  581   2HG1  ILE  75          3HG       ILE  75  -5.045  -2.649   3.923
  582   1HG2  ILE  75          1HG       ILE  75  -8.208  -1.534   6.556
  583   2HG2  ILE  75          2HG       ILE  75  -8.451  -1.991   4.843
  584   3HG2  ILE  75          3HG       ILE  75  -8.020  -3.213   6.049
  585   1HD1  ILE  75          1HD       ILE  75  -5.212  -4.198   6.084
  586   2HD1  ILE  75          2HD       ILE  75  -6.611  -4.876   5.228
  587   3HD1  ILE  75          3HD       ILE  75  -4.993  -4.895   4.487
  588    H    ILE  76           H        ILE  76  -6.771   0.551   2.787
  589    HA   ILE  76           HA       ILE  76  -9.067   1.965   4.077
  590    HB   ILE  76           HB       ILE  76  -9.025   3.507   2.214
  591   1HG1  ILE  76          2HG       ILE  76  -6.737   3.435   0.801
  592   2HG1  ILE  76          3HG       ILE  76  -6.765   1.748   1.186
  593   1HG2  ILE  76          1HG       ILE  76  -7.687   3.845   4.305
  594   2HG2  ILE  76          2HG       ILE  76  -6.270   3.258   3.408
  595   3HG2  ILE  76          3HG       ILE  76  -7.118   4.730   2.873
  596   1HD1  ILE  76          1HD       ILE  76  -9.101   3.319   0.003
  597   2HD1  ILE  76          2HD       ILE  76  -7.873   2.493  -0.973
  598   3HD1  ILE  76          3HD       ILE  76  -8.909   1.546   0.089
  599    H    GLY  77           H        GLY  77  -8.366  -0.848   2.311
  600   1HA   GLY  77          2HA       GLY  77 -10.957  -1.707   1.973
  601   2HA   GLY  77          3HA       GLY  77 -10.614  -0.796   0.519
  602    H    GLU  78           H        GLU  78 -10.674  -2.884  -0.719
  603    HA   GLU  78           HA       GLU  78  -8.074  -4.226  -0.686
  604   1HB   GLU  78          2HB       GLU  78  -9.964  -5.610   0.530
  605   2HB   GLU  78          3HB       GLU  78 -10.679  -5.730  -1.081
  606   1HG   GLU  78          2HG       GLU  78  -8.108  -6.497  -1.645
  607   2HG   GLU  78          3HG       GLU  78  -8.173  -6.878   0.070
  608    H    LEU  79           H        LEU  79  -7.795  -5.153  -2.990
  609    HA   LEU  79           HA       LEU  79  -9.341  -3.518  -4.910
  610   1HB   LEU  79          2HB       LEU  79  -7.653  -3.736  -6.410
  611   2HB   LEU  79          3HB       LEU  79  -6.798  -3.572  -4.860
  612    HG   LEU  79           HG       LEU  79  -7.152  -6.141  -6.428
  613   1HD1  LEU  79          1HD       LEU  79  -4.995  -5.787  -7.174
  614   2HD1  LEU  79          2HD       LEU  79  -5.498  -4.082  -6.996
  615   3HD1  LEU  79          3HD       LEU  79  -4.551  -4.865  -5.735
  616   1HD2  LEU  79          1HD       LEU  79  -7.006  -6.742  -4.051
  617   2HD2  LEU  79          2HD       LEU  79  -5.413  -6.967  -4.773
  618   3HD2  LEU  79          3HD       LEU  79  -5.728  -5.525  -3.782
  619    H    HIS  80           H        HIS  80  -9.975  -4.675  -6.900
  620    HA   HIS  80           HA       HIS  80 -11.662  -6.822  -6.567
  621   1HB   HIS  80          2HB       HIS  80 -10.165  -5.774  -8.965
  622   2HB   HIS  80          3HB       HIS  80 -11.150  -7.235  -9.073
  623    HD1  HIS  80           HD1      HIS  80 -12.734  -6.014 -10.747
  624    HD2  HIS  80           HD2      HIS  80 -12.597  -4.481  -6.827
  625    HE1  HIS  80           HE1      HIS  80 -14.832  -4.491 -10.443
  626    HA   PRO  81           HA       PRO  81  -8.400  -9.826  -6.040
  627   1HB   PRO  81          2HB       PRO  81  -9.878 -11.802  -4.775
  628   2HB   PRO  81          3HB       PRO  81  -9.225 -10.351  -3.957
  629   1HG   PRO  81          2HG       PRO  81 -12.043 -10.873  -4.865
  630   2HG   PRO  81          3HG       PRO  81 -11.459  -9.973  -3.432
  631   1HD   PRO  81          2HD       PRO  81 -12.306  -8.849  -5.867
  632   2HD   PRO  81          3HD       PRO  81 -11.335  -8.020  -4.621
  633    H    ASP  82           H        ASP  82 -11.435 -10.101  -7.772
  634    HA   ASP  82           HA       ASP  82 -10.739 -12.570  -9.148
  635   1HB   ASP  82          2HB       ASP  82 -13.001 -10.786  -8.954
  636   2HB   ASP  82          3HB       ASP  82 -12.581 -10.942 -10.657
  637    H    ASP  83           H        ASP  83  -9.661  -9.294  -9.346
  638    HA   ASP  83           HA       ASP  83  -8.727  -9.640 -12.144
  639   1HB   ASP  83          2HB       ASP  83  -9.196  -7.180 -10.439
  640   2HB   ASP  83          3HB       ASP  83  -8.331  -7.177 -11.973
  641    H    ARG  84           H        ARG  84  -7.564 -10.706  -9.436
  642    HA   ARG  84           HA       ARG  84  -4.933  -9.316  -9.509
  643   1HB   ARG  84          2HB       ARG  84  -4.423 -10.445  -7.464
  644   2HB   ARG  84          3HB       ARG  84  -6.074  -9.834  -7.349
  645   1HG   ARG  84          2HG       ARG  84  -6.556 -11.936  -6.624
  646   2HG   ARG  84          3HG       ARG  84  -6.566 -12.332  -8.350
  647   1HD   ARG  84          2HD       ARG  84  -3.940 -12.706  -7.860
  648   2HD   ARG  84          3HD       ARG  84  -4.563 -12.949  -6.218
  649    HE   ARG  84           HE       ARG  84  -6.075 -14.401  -8.201
  650   1HH1  ARG  84          2HH       ARG  84  -3.216 -14.534  -6.160
  651   2HH1  ARG  84          1HH       ARG  84  -2.956 -16.233  -6.323
  652   1HH2  ARG  84          2HH       ARG  84  -5.677 -16.668  -8.581
  653   2HH2  ARG  84          1HH       ARG  84  -4.417 -17.476  -7.731
  654    H    SER  85           H        SER  85  -6.383 -11.938 -11.077
  655    HA   SER  85           HA       SER  85  -3.751 -12.974 -11.957
  656   1HB   SER  85          2HB       SER  85  -4.301 -14.297 -10.011
  657   2HB   SER  85          3HB       SER  85  -5.936 -14.621 -10.622
  658    HG   SER  85           HG       SER  85  -4.833 -15.705 -12.401
  659    H    LYS  86           H        LYS  86  -6.006 -11.327 -13.118
  660    HA   LYS  86           HA       LYS  86  -6.217 -12.930 -15.543
  661   1HB   LYS  86          2HB       LYS  86  -8.316 -13.272 -13.783
  662   2HB   LYS  86          3HB       LYS  86  -8.890 -11.876 -14.678
  663   1HG   LYS  86          2HG       LYS  86  -7.934 -13.581 -16.707
  664   2HG   LYS  86          3HG       LYS  86  -8.576 -14.694 -15.489
  665   1HD   LYS  86          2HD       LYS  86 -10.624 -12.966 -15.502
  666   2HD   LYS  86          3HD       LYS  86  -9.983 -12.582 -17.116
  667   1HE   LYS  86          2HE       LYS  86 -10.151 -14.976 -17.737
  668   2HE   LYS  86          3HE       LYS  86 -10.654 -15.374 -16.084
  669   1HZ   LYS  86          1HZ       LYS  86 -12.163 -13.696 -17.977
  670   2HZ   LYS  86          2HZ       LYS  86 -12.565 -15.219 -17.479
  671   3HZ   LYS  86          3HZ       LYS  86 -12.593 -13.965 -16.413
  672    H    LEU  87           H        LEU  87  -7.874 -10.151 -14.030
  673    HA   LEU  87           HA       LEU  87  -8.043  -7.999 -14.509
  674   1HB   LEU  87          2HB       LEU  87  -5.518  -7.928 -16.142
  675   2HB   LEU  87          3HB       LEU  87  -6.181  -6.747 -15.028
  676    HG   LEU  87           HG       LEU  87  -5.544  -8.959 -13.380
  677   1HD1  LEU  87          1HD       LEU  87  -3.139  -9.336 -13.873
  678   2HD1  LEU  87          2HD       LEU  87  -4.199 -10.042 -15.084
  679   3HD1  LEU  87          3HD       LEU  87  -3.356  -8.524 -15.438
  680   1HD2  LEU  87          1HD       LEU  87  -3.956  -6.431 -13.982
  681   2HD2  LEU  87          2HD       LEU  87  -5.235  -6.632 -12.756
  682   3HD2  LEU  87          3HD       LEU  87  -3.714  -7.496 -12.573
  683    H    SER  88           H        SER  88  -7.713  -6.377 -16.688
  684    HA   SER  88           HA       SER  88  -8.798  -5.838 -18.559
  685   1HB   SER  88          2HB       SER  88  -7.619  -8.318 -19.800
  686   2HB   SER  88          3HB       SER  88  -7.663  -6.627 -20.367
  687    HG   SER  88           HG       SER  88  -6.054  -7.783 -18.367
  688    H    LYS  89           H        LYS  89  -9.522  -7.940 -20.674
  689    HA   LYS  89           HA       LYS  89 -11.552  -8.719 -21.408
  690   1HB   LYS  89          2HB       LYS  89  -9.873 -10.444 -20.145
  691   2HB   LYS  89          3HB       LYS  89 -11.339 -10.825 -19.281
  692   1HG   LYS  89          2HG       LYS  89 -11.159 -10.726 -22.341
  693   2HG   LYS  89          3HG       LYS  89 -10.720 -12.138 -21.398
  694   1HD   LYS  89          2HD       LYS  89 -12.814 -12.748 -21.871
  695   2HD   LYS  89          3HD       LYS  89 -13.170 -11.866 -20.380
  696   1HE   LYS  89          2HE       LYS  89 -14.060 -10.006 -21.563
  697   2HE   LYS  89          3HE       LYS  89 -13.256 -10.474 -23.078
  698   1HZ   LYS  89          1HZ       LYS  89 -15.666 -10.943 -22.985
  699   2HZ   LYS  89          2HZ       LYS  89 -14.743 -12.261 -23.341
  700   3HZ   LYS  89          3HZ       LYS  89 -15.389 -12.077 -21.834
  701    HA   PRO  90           HA       PRO  90 -14.110  -6.920 -17.963
  702   1HB   PRO  90          2HB       PRO  90 -15.177  -4.772 -19.326
  703   2HB   PRO  90          3HB       PRO  90 -13.587  -4.735 -18.514
  704   1HG   PRO  90          2HG       PRO  90 -14.199  -5.070 -21.443
  705   2HG   PRO  90          3HG       PRO  90 -12.857  -4.178 -20.662
  706   1HD   PRO  90          2HD       PRO  90 -12.701  -6.759 -21.743
  707   2HD   PRO  90          3HD       PRO  90 -11.561  -6.068 -20.549
  708    H    MET  91           H        MET  91 -16.628  -6.287 -18.198
  709    HA   MET  91           HA       MET  91 -17.947  -7.833 -20.304
  710   1HB   MET  91          2HB       MET  91 -17.183  -9.434 -18.420
  711   2HB   MET  91          3HB       MET  91 -18.301  -8.575 -17.361
  712   1HG   MET  91          2HG       MET  91 -19.435 -10.490 -18.210
  713   2HG   MET  91          3HG       MET  91 -20.143  -9.090 -19.008
  714   1HE   MET  91          1HE       MET  91 -19.771  -8.771 -21.989
  715   2HE   MET  91          2HE       MET  91 -20.434 -10.375 -22.381
  716   3HE   MET  91          3HE       MET  91 -21.051  -9.480 -20.977
  717    H    GLU  92           H        GLU  92 -19.355  -6.094 -20.921
  718    HA   GLU  92           HA       GLU  92 -21.208  -5.227 -18.828
  719   1HB   GLU  92          2HB       GLU  92 -19.169  -3.565 -19.105
  720   2HB   GLU  92          3HB       GLU  92 -19.932  -3.147 -20.632
  721   1HG   GLU  92          2HG       GLU  92 -21.289  -1.739 -19.518
  722   2HG   GLU  92          3HG       GLU  92 -22.058  -3.126 -18.752
  723    H    THR  93           H        THR  93 -23.298  -5.164 -19.772
  724    HA   THR  93           HA       THR  93 -23.566  -4.944 -22.683
  725    HB   THR  93           HB       THR  93 -24.530  -7.324 -21.028
  726    HG1  THR  93          1HG       THR  93 -23.201  -8.395 -22.693
  727   1HG2  THR  93          1HG       THR  93 -26.173  -6.763 -22.813
  728   2HG2  THR  93          2HG       THR  93 -24.876  -6.842 -24.024
  729   3HG2  THR  93          3HG       THR  93 -25.366  -8.290 -23.109
  730    H    LEU  94           H        LEU  94 -25.786  -4.393 -23.217
  731    HA   LEU  94           HA       LEU  94 -27.214  -2.756 -21.277
  732   1HB   LEU  94          2HB       LEU  94 -27.034  -2.260 -23.755
  733   2HB   LEU  94          3HB       LEU  94 -27.900  -3.765 -24.068
  734    HG   LEU  94           HG       LEU  94 -29.699  -2.480 -22.398
  735   1HD1  LEU  94          1HD       LEU  94 -29.851  -0.189 -22.921
  736   2HD1  LEU  94          2HD       LEU  94 -28.158  -0.443 -22.468
  737   3HD1  LEU  94          3HD       LEU  94 -28.607  -0.293 -24.186
  738   1HD2  LEU  94          1HD       LEU  94 -30.810  -1.817 -24.599
  739   2HD2  LEU  94          2HD       LEU  94 -29.370  -2.467 -25.415
  740   3HD2  LEU  94          3HD       LEU  94 -30.383  -3.526 -24.407
  741    HHA  HEM  95          MHG       HEM  95  11.812  -0.562   8.444
  742    HHB  HEM  95          MHD       HEM  95   5.440  -0.192   9.258
  743    HHC  HEM  95          MHA       HEM  95   4.634  -0.976   2.938
  744    HHD  HEM  95          MHB       HEM  95  10.999  -0.291   2.065
  745   1HMA  HEM  95          1HM       HEM  95   6.417  -1.159  11.159
  746   2HMA  HEM  95          2HM       HEM  95   7.924  -1.034  12.047
  747   3HMA  HEM  95          3HM       HEM  95   7.041   0.438  11.588
  748   1HAA  HEM  95          1HP       HEM  95  10.059  -0.768  11.819
  749   2HAA  HEM  95          2HP       HEM  95  11.295  -0.199  10.713
  750   1HBA  HEM  95          3HP       HEM  95  11.483  -2.481   9.732
  751   2HBA  HEM  95          4HP       HEM  95  10.219  -3.055  10.820
  752   1HMB  HEM  95          1HM       HEM  95   3.089  -1.307   8.543
  753   2HMB  HEM  95          2HM       HEM  95   3.290   0.430   8.543
  754   3HMB  HEM  95          3HM       HEM  95   2.077  -0.328   7.460
  755    HAB  HEM  95          AHT       HEM  95   2.310  -0.363   4.139
  756   1HBB  HEM  95          CHV       HEM  95   2.622  -3.125   5.337
  757   2HBB  HEM  95          THV       HEM  95   1.237  -2.471   4.274
  758   1HMC  HEM  95          1HM       HEM  95   5.206  -1.791   0.981
  759   2HMC  HEM  95          2HM       HEM  95   5.555  -0.310   0.061
  760   3HMC  HEM  95          3HM       HEM  95   6.489  -1.826  -0.200
  761    HAC  HEM  95          AHT       HEM  95  10.136  -0.722   0.077
  762   1HBC  HEM  95          THV       HEM  95   9.189   0.174  -1.893
  763   2HBC  HEM  95          CHV       HEM  95   7.474   0.040  -1.200
  764   1HMD  HEM  95          1HM       HEM  95  14.370  -0.249   3.811
  765   2HMD  HEM  95          2HM       HEM  95  13.225  -0.784   2.578
  766   3HMD  HEM  95          3HM       HEM  95  13.323   0.939   3.006
  767   1HAD  HEM  95          1HP       HEM  95  13.635   0.371   7.497
  768   2HAD  HEM  95          2HP       HEM  95  14.388   0.620   5.940
  769   1HBD  HEM  95          3HP       HEM  95  14.210  -2.143   6.008
  770   2HBD  HEM  95          4HP       HEM  95  14.446  -1.766   7.717
  Start of MODEL   12
    1   1H    ASP   1           H1       ASP   1 -22.975   1.823   4.620
    2   2H    ASP   1           H2       ASP   1 -21.749   2.527   5.435
    3   3H    ASP   1           H3       ASP   1 -22.629   3.431   4.384
    4    HA   ASP   1           HA       ASP   1 -20.330   2.556   3.725
    5   1HB   ASP   1          2HB       ASP   1 -20.737   2.738   1.521
    6   2HB   ASP   1          3HB       ASP   1 -22.135   1.669   1.536
    7    H    LYS   2           H        LYS   2 -20.084   0.516   1.856
    8    HA   LYS   2           HA       LYS   2 -21.122  -1.994   2.774
    9   1HB   LYS   2          2HB       LYS   2 -19.237  -2.925   1.373
   10   2HB   LYS   2          3HB       LYS   2 -20.288  -1.815   0.510
   11   1HG   LYS   2          2HG       LYS   2 -18.114  -0.321   1.751
   12   2HG   LYS   2          3HG       LYS   2 -17.446  -1.671   0.835
   13   1HD   LYS   2          2HD       LYS   2 -18.222  -0.869  -1.197
   14   2HD   LYS   2          3HD       LYS   2 -19.545   0.062  -0.477
   15   1HE   LYS   2          2HE       LYS   2 -16.943   0.979   0.504
   16   2HE   LYS   2          3HE       LYS   2 -16.995   1.003  -1.265
   17   1HZ   LYS   2          1HZ       LYS   2 -18.883   2.358   0.560
   18   2HZ   LYS   2          2HZ       LYS   2 -17.788   3.070  -0.434
   19   3HZ   LYS   2          3HZ       LYS   2 -19.076   2.282  -1.071
   20    H    ASP   3           H        ASP   3 -19.559  -3.738   3.566
   21    HA   ASP   3           HA       ASP   3 -18.592  -2.975   6.120
   22   1HB   ASP   3          2HB       ASP   3 -19.516  -5.237   5.050
   23   2HB   ASP   3          3HB       ASP   3 -17.816  -5.558   4.743
   24    H    VAL   4           H        VAL   4 -17.114  -2.840   3.057
   25    HA   VAL   4           HA       VAL   4 -14.476  -2.329   4.237
   26    HB   VAL   4           HB       VAL   4 -14.774  -4.008   1.730
   27   1HG1  VAL   4          1HG       VAL   4 -12.612  -2.747   2.858
   28   2HG1  VAL   4          2HG       VAL   4 -12.535  -4.290   3.693
   29   3HG1  VAL   4          3HG       VAL   4 -12.492  -4.263   1.921
   30   1HG2  VAL   4          1HG       VAL   4 -15.915  -5.391   3.327
   31   2HG2  VAL   4          2HG       VAL   4 -14.293  -6.037   3.075
   32   3HG2  VAL   4          3HG       VAL   4 -14.653  -5.113   4.552
   33    H    LYS   5           H        LYS   5 -13.871  -2.383   1.167
   34    HA   LYS   5           HA       LYS   5 -15.147   0.151   0.372
   35   1HB   LYS   5          2HB       LYS   5 -12.546  -0.024   1.473
   36   2HB   LYS   5          3HB       LYS   5 -12.368   0.392  -0.233
   37   1HG   LYS   5          2HG       LYS   5 -12.487   2.419   1.148
   38   2HG   LYS   5          3HG       LYS   5 -13.920   2.335   0.105
   39   1HD   LYS   5          2HD       LYS   5 -15.311   1.756   1.917
   40   2HD   LYS   5          3HD       LYS   5 -13.934   1.202   2.913
   41   1HE   LYS   5          2HE       LYS   5 -13.163   3.563   3.077
   42   2HE   LYS   5          3HE       LYS   5 -14.603   4.068   2.173
   43   1HZ   LYS   5          1HZ       LYS   5 -15.169   4.265   4.421
   44   2HZ   LYS   5          2HZ       LYS   5 -15.861   2.830   3.981
   45   3HZ   LYS   5          3HZ       LYS   5 -14.469   2.834   4.840
   46    H    TYR   6           H        TYR   6 -12.896  -2.414  -0.564
   47    HA   TYR   6           HA       TYR   6 -12.442  -3.468  -2.485
   48   1HB   TYR   6          2HB       TYR   6 -15.305  -3.427  -2.000
   49   2HB   TYR   6          3HB       TYR   6 -14.960  -3.540  -3.697
   50    HD1  TYR   6           HD1      TYR   6 -14.846  -5.692  -4.568
   51    HD2  TYR   6           HD2      TYR   6 -13.725  -5.071  -0.456
   52    HE1  TYR   6           HE1      TYR   6 -14.409  -8.140  -4.304
   53    HE2  TYR   6           HE2      TYR   6 -13.291  -7.487  -0.193
   54    HH   TYR   6           HH       TYR   6 -13.021  -9.520  -1.347
   55    H    TYR   7           H        TYR   7 -10.957  -2.064  -3.712
   56    HA   TYR   7           HA       TYR   7 -12.268  -0.125  -5.483
   57   1HB   TYR   7          2HB       TYR   7  -9.607  -0.324  -4.067
   58   2HB   TYR   7          3HB       TYR   7  -9.736   0.515  -5.545
   59    HD1  TYR   7           HD1      TYR   7 -11.029   2.600  -5.772
   60    HD2  TYR   7           HD2      TYR   7 -10.790   0.532  -2.011
   61    HE1  TYR   7           HE1      TYR   7 -11.911   4.606  -4.649
   62    HE2  TYR   7           HE2      TYR   7 -11.682   2.539  -0.867
   63    HH   TYR   7           HH       TYR   7 -12.817   4.625  -1.208
   64    H    THR   8           H        THR   8 -11.552  -0.063  -7.649
   65    HA   THR   8           HA       THR   8 -10.875  -2.716  -8.719
   66    HB   THR   8           HB       THR   8 -11.325  -1.007 -10.839
   67    HG1  THR   8          1HG       THR   8 -13.403  -0.171  -9.210
   68   1HG2  THR   8          1HG       THR   8 -13.827  -2.043  -9.581
   69   2HG2  THR   8          2HG       THR   8 -13.208  -2.213 -11.231
   70   3HG2  THR   8          3HG       THR   8 -12.573  -3.236  -9.939
   71    H    LEU   9           H        LEU   9  -9.160  -2.950 -10.258
   72    HA   LEU   9           HA       LEU   9  -6.756  -1.916  -9.436
   73   1HB   LEU   9          2HB       LEU   9  -7.350  -2.777 -12.283
   74   2HB   LEU   9          3HB       LEU   9  -5.774  -2.580 -11.529
   75    HG   LEU   9           HG       LEU   9  -6.109  -4.852 -11.477
   76   1HD1  LEU   9          1HD       LEU   9  -7.059  -4.014  -8.703
   77   2HD1  LEU   9          2HD       LEU   9  -6.107  -5.438  -9.144
   78   3HD1  LEU   9          3HD       LEU   9  -5.385  -3.834  -9.281
   79   1HD2  LEU   9          1HD       LEU   9  -8.081  -5.916 -11.506
   80   2HD2  LEU   9          2HD       LEU   9  -8.655  -5.129 -10.029
   81   3HD2  LEU   9          3HD       LEU   9  -8.844  -4.354 -11.630
   82    H    GLU  10           H        GLU  10  -8.759  -0.551 -12.079
   83    HA   GLU  10           HA       GLU  10  -7.071   1.506 -12.928
   84   1HB   GLU  10          2HB       GLU  10 -10.052   1.128 -12.726
   85   2HB   GLU  10          3HB       GLU  10  -9.447   2.766 -12.992
   86   1HG   GLU  10          2HG       GLU  10  -8.052   1.839 -14.918
   87   2HG   GLU  10          3HG       GLU  10  -8.973   0.335 -14.753
   88    H    GLU  11           H        GLU  11  -9.258   1.519 -10.040
   89    HA   GLU  11           HA       GLU  11  -8.791   4.192  -9.330
   90   1HB   GLU  11          2HB       GLU  11  -9.494   1.846  -7.530
   91   2HB   GLU  11          3HB       GLU  11  -9.745   3.557  -7.240
   92   1HG   GLU  11          2HG       GLU  11 -11.068   1.979  -9.476
   93   2HG   GLU  11          3HG       GLU  11 -11.827   2.376  -7.938
   94    H    ILE  12           H        ILE  12  -7.165   1.089  -8.263
   95    HA   ILE  12           HA       ILE  12  -5.405   2.390  -6.477
   96    HB   ILE  12           HB       ILE  12  -5.015  -0.137  -8.129
   97   1HG1  ILE  12          2HG       ILE  12  -5.412  -0.802  -5.488
   98   2HG1  ILE  12          3HG       ILE  12  -6.447   0.613  -5.651
   99   1HG2  ILE  12          1HG       ILE  12  -2.901  -0.246  -7.373
  100   2HG2  ILE  12          2HG       ILE  12  -3.098   1.295  -6.511
  101   3HG2  ILE  12          3HG       ILE  12  -3.454  -0.190  -5.692
  102   1HD1  ILE  12          1HD       ILE  12  -7.910  -1.078  -6.162
  103   2HD1  ILE  12          2HD       ILE  12  -7.181  -0.851  -7.766
  104   3HD1  ILE  12          3HD       ILE  12  -6.625  -2.164  -6.733
  105    H    LYS  13           H        LYS  13  -5.253   1.978 -10.004
  106    HA   LYS  13           HA       LYS  13  -2.630   3.322 -10.130
  107   1HB   LYS  13          2HB       LYS  13  -4.471   2.071 -12.207
  108   2HB   LYS  13          3HB       LYS  13  -3.056   3.024 -12.661
  109   1HG   LYS  13          2HG       LYS  13  -1.706   1.263 -12.330
  110   2HG   LYS  13          3HG       LYS  13  -2.124   1.284 -10.626
  111   1HD   LYS  13          2HD       LYS  13  -2.705  -0.853 -11.059
  112   2HD   LYS  13          3HD       LYS  13  -4.239  -0.105 -11.481
  113   1HE   LYS  13          2HE       LYS  13  -3.493  -0.026 -13.883
  114   2HE   LYS  13          3HE       LYS  13  -2.016  -0.878 -13.390
  115   1HZ   LYS  13          1HZ       LYS  13  -4.776  -1.887 -13.347
  116   2HZ   LYS  13          2HZ       LYS  13  -3.480  -2.513 -14.139
  117   3HZ   LYS  13          3HZ       LYS  13  -3.568  -2.626 -12.503
  118    H    LYS  14           H        LYS  14  -5.330   4.615  -9.264
  119    HA   LYS  14           HA       LYS  14  -4.896   7.187 -10.694
  120   1HB   LYS  14          2HB       LYS  14  -7.425   5.789  -9.800
  121   2HB   LYS  14          3HB       LYS  14  -7.392   7.538  -9.998
  122   1HG   LYS  14          2HG       LYS  14  -6.857   7.402 -12.306
  123   2HG   LYS  14          3HG       LYS  14  -6.463   5.680 -12.217
  124   1HD   LYS  14          2HD       LYS  14  -8.776   5.087 -11.791
  125   2HD   LYS  14          3HD       LYS  14  -9.245   6.791 -11.662
  126   1HE   LYS  14          2HE       LYS  14  -8.682   7.203 -13.991
  127   2HE   LYS  14          3HE       LYS  14  -7.964   5.594 -14.159
  128   1HZ   LYS  14          1HZ       LYS  14 -10.835   6.030 -13.596
  129   2HZ   LYS  14          2HZ       LYS  14 -10.194   5.683 -15.095
  130   3HZ   LYS  14          3HZ       LYS  14 -10.094   4.603 -13.942
  131    H    HIS  15           H        HIS  15  -4.066   5.680  -7.904
  132    HA   HIS  15           HA       HIS  15  -4.448   8.159  -6.300
  133   1HB   HIS  15          2HB       HIS  15  -4.452   5.225  -5.568
  134   2HB   HIS  15          3HB       HIS  15  -4.233   6.489  -4.373
  135    HD1  HIS  15           HD1      HIS  15  -6.419   8.493  -4.587
  136    HD2  HIS  15           HD2      HIS  15  -6.922   4.476  -5.748
  137    HE1  HIS  15           HE1      HIS  15  -8.929   8.036  -4.636
  138    H    ASN  16           H        ASN  16  -2.332   7.389  -8.322
  139    HA   ASN  16           HA       ASN  16   0.087   6.989  -6.694
  140   1HB   ASN  16          2HB       ASN  16   1.267   7.185  -8.923
  141   2HB   ASN  16          3HB       ASN  16   0.160   5.833  -8.761
  142   1HD2  ASN  16          1HD       ASN  16  -1.805   5.811  -9.931
  143   2HD2  ASN  16          2HD       ASN  16  -2.094   6.882 -11.269
  144    H    HIS  17           H        HIS  17  -0.829   9.128  -5.534
  145    HA   HIS  17           HA       HIS  17   0.674  11.391  -6.762
  146   1HB   HIS  17          2HB       HIS  17  -2.066  11.598  -5.487
  147   2HB   HIS  17          3HB       HIS  17  -1.117  12.928  -6.153
  148    HD1  HIS  17           HD1      HIS  17  -0.796  12.832  -8.947
  149    HD2  HIS  17           HD2      HIS  17  -3.603  10.240  -7.165
  150    HE1  HIS  17           HE1      HIS  17  -2.303  11.976 -10.816
  151    H    SER  18           H        SER  18   1.115  13.103  -5.119
  152    HA   SER  18           HA       SER  18   2.164  11.988  -2.661
  153   1HB   SER  18          2HB       SER  18   2.145  14.660  -4.046
  154   2HB   SER  18          3HB       SER  18   2.507  14.625  -2.315
  155    HG   SER  18           HG       SER  18   3.838  13.098  -4.310
  156    H    LYS  19           H        LYS  19  -0.988  12.243  -3.179
  157    HA   LYS  19           HA       LYS  19  -1.491  13.003  -0.371
  158   1HB   LYS  19          2HB       LYS  19  -1.903  14.885  -2.265
  159   2HB   LYS  19          3HB       LYS  19  -3.394  13.989  -2.480
  160   1HG   LYS  19          2HG       LYS  19  -4.245  15.210  -0.821
  161   2HG   LYS  19          3HG       LYS  19  -3.273  14.280   0.305
  162   1HD   LYS  19          2HD       LYS  19  -1.892  16.643  -0.977
  163   2HD   LYS  19          3HD       LYS  19  -3.264  16.998   0.055
  164   1HE   LYS  19          2HE       LYS  19  -1.479  17.095   1.539
  165   2HE   LYS  19          3HE       LYS  19  -2.220  15.519   1.840
  166   1HZ   LYS  19          1HZ       LYS  19   0.062  15.126   1.734
  167   2HZ   LYS  19          2HZ       LYS  19  -0.436  14.673   0.241
  168   3HZ   LYS  19          3HZ       LYS  19   0.307  16.106   0.442
  169    H    SER  20           H        SER  20  -1.554  10.524  -2.374
  170    HA   SER  20           HA       SER  20  -3.746   9.231  -1.010
  171   1HB   SER  20          2HB       SER  20  -3.857   9.872  -3.983
  172   2HB   SER  20          3HB       SER  20  -4.584   8.385  -3.376
  173    HG   SER  20           HG       SER  20  -5.770   9.714  -1.891
  174    H    THR  21           H        THR  21  -0.722   9.046  -1.269
  175    HA   THR  21           HA       THR  21   0.278   7.146  -2.951
  176    HB   THR  21           HB       THR  21   0.758   7.522   0.026
  177    HG1  THR  21          1HG       THR  21   1.964   8.626  -2.288
  178   1HG2  THR  21          1HG       THR  21   2.524   6.191  -2.076
  179   2HG2  THR  21          2HG       THR  21   3.005   6.629  -0.404
  180   3HG2  THR  21          3HG       THR  21   1.772   5.403  -0.686
  181    H    TRP  22           H        TRP  22  -1.162   5.549  -3.558
  182    HA   TRP  22           HA       TRP  22  -1.860   3.554  -1.471
  183   1HB   TRP  22          2HB       TRP  22  -2.872   4.246  -4.232
  184   2HB   TRP  22          3HB       TRP  22  -3.168   2.647  -3.574
  185    HD1  TRP  22           HD1      TRP  22  -3.302   5.446  -1.029
  186    HE1  TRP  22           HE1      TRP  22  -5.626   5.852  -0.296
  187    HE3  TRP  22           HE3      TRP  22  -5.562   2.379  -4.371
  188    HZ2  TRP  22           HZ2      TRP  22  -8.349   4.980  -1.169
  189    HZ3  TRP  22           HZ3      TRP  22  -8.050   2.162  -4.419
  190    HH2  TRP  22           HH2      TRP  22  -9.405   3.499  -2.848
  191    H    LEU  23           H        LEU  23  -1.833   1.266  -2.455
  192    HA   LEU  23           HA       LEU  23  -0.075   0.570  -4.525
  193   1HB   LEU  23          2HB       LEU  23   1.792  -0.427  -3.118
  194   2HB   LEU  23          3HB       LEU  23   1.782   1.300  -3.295
  195    HG   LEU  23           HG       LEU  23   0.535   1.354  -0.963
  196   1HD1  LEU  23          1HD       LEU  23   1.740  -1.399  -0.978
  197   2HD1  LEU  23          2HD       LEU  23   1.018  -0.563   0.436
  198   3HD1  LEU  23          3HD       LEU  23   0.015  -1.076  -0.920
  199   1HD2  LEU  23          1HD       LEU  23   2.573   2.171  -0.575
  200   2HD2  LEU  23          2HD       LEU  23   3.085   0.518  -0.128
  201   3HD2  LEU  23          3HD       LEU  23   3.353   1.121  -1.756
  202    H    ILE  24           H        ILE  24   0.620  -1.965  -3.874
  203    HA   ILE  24           HA       ILE  24  -1.911  -3.151  -2.874
  204    HB   ILE  24           HB       ILE  24  -0.068  -4.056  -5.181
  205   1HG1  ILE  24          2HG       ILE  24  -1.469  -2.109  -5.813
  206   2HG1  ILE  24          3HG       ILE  24  -1.710  -3.577  -6.753
  207   1HG2  ILE  24          1HG       ILE  24  -0.904  -6.023  -4.176
  208   2HG2  ILE  24          2HG       ILE  24  -2.537  -5.343  -4.001
  209   3HG2  ILE  24          3HG       ILE  24  -1.881  -5.751  -5.615
  210   1HD1  ILE  24          1HD       ILE  24  -3.559  -2.766  -4.481
  211   2HD1  ILE  24          2HD       ILE  24  -3.830  -2.382  -6.202
  212   3HD1  ILE  24          3HD       ILE  24  -3.777  -4.056  -5.705
  213    H    LEU  25           H        LEU  25  -1.030  -3.903  -0.823
  214    HA   LEU  25           HA       LEU  25   1.513  -5.410  -0.936
  215   1HB   LEU  25          2HB       LEU  25   0.301  -3.562   1.098
  216   2HB   LEU  25          3HB       LEU  25   1.194  -4.958   1.715
  217    HG   LEU  25           HG       LEU  25   2.400  -3.272  -0.465
  218   1HD1  LEU  25          1HD       LEU  25   3.319  -2.701   2.298
  219   2HD1  LEU  25          2HD       LEU  25   3.050  -1.611   0.928
  220   3HD1  LEU  25          3HD       LEU  25   1.686  -2.119   1.936
  221   1HD2  LEU  25          1HD       LEU  25   3.171  -5.540   0.355
  222   2HD2  LEU  25          2HD       LEU  25   4.379  -4.249   0.148
  223   3HD2  LEU  25          3HD       LEU  25   3.792  -4.728   1.772
  224    H    HIS  26           H        HIS  26   0.661  -7.360  -1.483
  225    HA   HIS  26           HA       HIS  26  -0.146  -9.428  -1.019
  226   1HB   HIS  26          2HB       HIS  26  -1.329  -8.488   1.613
  227   2HB   HIS  26          3HB       HIS  26  -0.821 -10.090   1.147
  228    HD1  HIS  26           HD1      HIS  26   2.038 -10.258   0.763
  229    HD2  HIS  26           HD2      HIS  26   0.385  -7.064   2.959
  230    HE1  HIS  26           HE1      HIS  26   3.940  -9.261   2.163
  231    H    HIS  27           H        HIS  27  -1.518  -8.330  -2.850
  232    HA   HIS  27           HA       HIS  27  -3.494  -7.960  -3.914
  233   1HB   HIS  27          2HB       HIS  27  -4.586 -10.247  -2.267
  234   2HB   HIS  27          3HB       HIS  27  -4.912  -9.801  -3.941
  235    HD1  HIS  27           HD1      HIS  27  -3.885 -12.709  -2.760
  236    HD2  HIS  27           HD2      HIS  27  -1.691  -9.765  -4.825
  237    HE1  HIS  27           HE1      HIS  27  -1.878 -13.891  -3.818
  238    H    LYS  28           H        LYS  28  -3.310  -6.268  -1.714
  239    HA   LYS  28           HA       LYS  28  -6.149  -5.736  -1.170
  240   1HB   LYS  28          2HB       LYS  28  -4.024  -6.421   0.823
  241   2HB   LYS  28          3HB       LYS  28  -5.018  -4.996   1.187
  242   1HG   LYS  28          2HG       LYS  28  -6.823  -6.234   1.723
  243   2HG   LYS  28          3HG       LYS  28  -6.618  -7.304   0.319
  244   1HD   LYS  28          2HD       LYS  28  -4.704  -8.402   1.524
  245   2HD   LYS  28          3HD       LYS  28  -5.159  -7.528   2.990
  246   1HE   LYS  28          2HE       LYS  28  -7.108  -8.714   3.274
  247   2HE   LYS  28          3HE       LYS  28  -7.375  -8.911   1.536
  248   1HZ   LYS  28          1HZ       LYS  28  -6.313 -10.781   3.228
  249   2HZ   LYS  28          2HZ       LYS  28  -6.377 -10.838   1.579
  250   3HZ   LYS  28          3HZ       LYS  28  -5.032 -10.261   2.322
  251    H    VAL  29           H        VAL  29  -6.364  -3.380  -0.544
  252    HA   VAL  29           HA       VAL  29  -4.308  -1.868  -1.941
  253    HB   VAL  29           HB       VAL  29  -6.821  -0.674  -1.121
  254   1HG1  VAL  29          1HG       VAL  29  -5.142  -0.810  -3.475
  255   2HG1  VAL  29          2HG       VAL  29  -6.862  -0.330  -3.696
  256   3HG1  VAL  29          3HG       VAL  29  -5.794   0.585  -2.600
  257   1HG2  VAL  29          1HG       VAL  29  -7.877  -2.792  -1.462
  258   2HG2  VAL  29          2HG       VAL  29  -8.368  -1.685  -2.714
  259   3HG2  VAL  29          3HG       VAL  29  -7.177  -2.936  -3.072
  260    H    TYR  30           H        TYR  30  -3.102  -0.454  -0.747
  261    HA   TYR  30           HA       TYR  30  -3.900   0.039   2.068
  262   1HB   TYR  30          2HB       TYR  30  -1.308  -0.355   0.566
  263   2HB   TYR  30          3HB       TYR  30  -1.368   0.367   2.140
  264    HD1  TYR  30           HD1      TYR  30  -1.064  -1.042   3.994
  265    HD2  TYR  30           HD2      TYR  30  -2.601  -2.723   0.350
  266    HE1  TYR  30           HE1      TYR  30  -1.229  -3.258   5.060
  267    HE2  TYR  30           HE2      TYR  30  -2.734  -4.917   1.431
  268    HH   TYR  30           HH       TYR  30  -1.467  -5.507   4.710
  269    H    ASP  31           H        ASP  31  -3.327   2.149   2.873
  270    HA   ASP  31           HA       ASP  31  -2.668   4.204   0.837
  271   1HB   ASP  31          2HB       ASP  31  -5.031   4.449   1.547
  272   2HB   ASP  31          3HB       ASP  31  -4.515   4.540   3.237
  273    H    LEU  32           H        LEU  32  -0.584   4.535   1.266
  274    HA   LEU  32           HA       LEU  32   0.250   4.729   4.106
  275   1HB   LEU  32          2HB       LEU  32   2.145   4.839   1.770
  276   2HB   LEU  32          3HB       LEU  32   2.421   4.390   3.459
  277    HG   LEU  32           HG       LEU  32   1.047   2.735   1.318
  278   1HD1  LEU  32          1HD       LEU  32   3.501   2.349   3.090
  279   2HD1  LEU  32          2HD       LEU  32   2.891   1.178   1.908
  280   3HD1  LEU  32          3HD       LEU  32   3.517   2.733   1.362
  281   1HD2  LEU  32          1HD       LEU  32   1.450   2.048   4.249
  282   2HD2  LEU  32          2HD       LEU  32  -0.129   2.438   3.569
  283   3HD2  LEU  32          3HD       LEU  32   0.713   1.019   2.983
  284    H    THR  33           H        THR  33  -1.245   6.748   2.109
  285    HA   THR  33           HA       THR  33   0.527   9.004   1.807
  286    HB   THR  33           HB       THR  33  -2.240   8.392   1.290
  287    HG1  THR  33          1HG       THR  33  -0.514  10.584   0.767
  288   1HG2  THR  33          1HG       THR  33  -3.260  10.556   1.712
  289   2HG2  THR  33          2HG       THR  33  -2.902   9.715   3.220
  290   3HG2  THR  33          3HG       THR  33  -1.823  11.037   2.662
  291    H    LYS  34           H        LYS  34  -1.644   7.994   4.440
  292    HA   LYS  34           HA       LYS  34  -0.728  10.354   5.942
  293   1HB   LYS  34          2HB       LYS  34  -3.099   9.074   5.904
  294   2HB   LYS  34          3HB       LYS  34  -2.395   8.228   7.281
  295   1HG   LYS  34          2HG       LYS  34  -2.118  11.226   7.229
  296   2HG   LYS  34          3HG       LYS  34  -3.755  10.608   7.358
  297   1HD   LYS  34          2HD       LYS  34  -3.245   9.361   9.371
  298   2HD   LYS  34          3HD       LYS  34  -1.517   9.715   9.222
  299   1HE   LYS  34          2HE       LYS  34  -1.896  12.087   9.557
  300   2HE   LYS  34          3HE       LYS  34  -3.650  11.844   9.637
  301   1HZ   LYS  34          1HZ       LYS  34  -1.998  10.308  11.473
  302   2HZ   LYS  34          2HZ       LYS  34  -2.134  11.913  11.775
  303   3HZ   LYS  34          3HZ       LYS  34  -3.486  10.974  11.711
  304    H    PHE  35           H        PHE  35   0.734   7.526   5.220
  305    HA   PHE  35           HA       PHE  35   2.004   7.181   7.846
  306   1HB   PHE  35          2HB       PHE  35   0.776   5.275   6.820
  307   2HB   PHE  35          3HB       PHE  35   1.868   5.336   5.454
  308    HD1  PHE  35          1HD       PHE  35   3.443   3.624   5.437
  309    HD2  PHE  35          2HD       PHE  35   2.282   5.338   9.211
  310    HE1  PHE  35          1HE       PHE  35   5.083   2.184   6.588
  311    HE2  PHE  35          2HE       PHE  35   4.012   3.988  10.360
  312    HZ   PHE  35           HZ       PHE  35   5.404   2.405   9.069
  313    H    LEU  36           H        LEU  36   2.496   8.361   4.693
  314    HA   LEU  36           HA       LEU  36   5.240   7.871   4.159
  315   1HB   LEU  36          2HB       LEU  36   3.355  10.324   3.828
  316   2HB   LEU  36          3HB       LEU  36   5.047  10.418   3.310
  317    HG   LEU  36           HG       LEU  36   2.793   8.751   2.172
  318   1HD1  LEU  36          1HD       LEU  36   3.180  11.194   1.530
  319   2HD1  LEU  36          2HD       LEU  36   4.709  10.644   0.792
  320   3HD1  LEU  36          3HD       LEU  36   3.154  10.009   0.207
  321   1HD2  LEU  36          1HD       LEU  36   4.556   7.250   2.098
  322   2HD2  LEU  36          2HD       LEU  36   4.681   8.071   0.522
  323   3HD2  LEU  36          3HD       LEU  36   5.782   8.510   1.841
  324    H    GLU  37           H        GLU  37   3.918  10.426   6.302
  325    HA   GLU  37           HA       GLU  37   6.666  11.009   7.193
  326   1HB   GLU  37          2HB       GLU  37   3.962  12.269   7.813
  327   2HB   GLU  37          3HB       GLU  37   5.489  12.846   8.483
  328   1HG   GLU  37          2HG       GLU  37   4.788  12.718   5.515
  329   2HG   GLU  37          3HG       GLU  37   4.788  14.165   6.520
  330    H    GLU  38           H        GLU  38   5.232   8.406   7.849
  331    HA   GLU  38           HA       GLU  38   5.525   8.497  10.824
  332   1HB   GLU  38          2HB       GLU  38   3.645   7.076   9.003
  333   2HB   GLU  38          3HB       GLU  38   3.891   6.474  10.617
  334   1HG   GLU  38          2HG       GLU  38   2.981   9.334  10.213
  335   2HG   GLU  38          3HG       GLU  38   1.843   8.005   9.985
  336    H    HIS  39           HN       HIS  39   6.303   6.777   7.871
  337    HA   HIS  39           HA       HIS  39   7.158   4.334   8.986
  338   1HB   HIS  39          2HB       HIS  39   6.877   5.325   6.464
  339   2HB   HIS  39          3HB       HIS  39   8.582   5.619   6.695
  340    HD1  HIS  39           HND      HIS  39   8.910   4.127   4.521
  341    HD2  HIS  39           HD       HIS  39   7.316   2.075   7.788
  342    HE1  HIS  39           HE       HIS  39   9.231   1.798   3.987
  343    HA   PRO  40           HA       PRO  40  10.722   5.568  11.175
  344   1HB   PRO  40          2HB       PRO  40  12.633   3.586  10.724
  345   2HB   PRO  40          3HB       PRO  40  11.192   3.406  11.766
  346   1HG   PRO  40          2HG       PRO  40  11.676   2.269   9.062
  347   2HG   PRO  40          3HG       PRO  40  10.544   1.778  10.370
  348   1HD   PRO  40          2HD       PRO  40   9.946   3.227   8.016
  349   2HD   PRO  40          3HD       PRO  40   8.837   2.826   9.374
  350    H    GLY  41           H        GLY  41  11.503   4.680   7.852
  351   1HA   GLY  41          2HA       GLY  41  13.024   7.147   7.503
  352   2HA   GLY  41          3HA       GLY  41  14.013   5.681   7.444
  353    H    GLY  42           H        GLY  42  10.677   5.230   6.180
  354   1HA   GLY  42          2HA       GLY  42  11.778   5.760   3.459
  355   2HA   GLY  42          3HA       GLY  42  10.771   4.385   3.828
  356    H    GLU  43           H        GLU  43  10.761   7.527   2.817
  357    HA   GLU  43           HA       GLU  43   7.747   7.505   3.063
  358   1HB   GLU  43          2HB       GLU  43   7.722   9.786   3.120
  359   2HB   GLU  43          3HB       GLU  43   9.082   9.360   4.120
  360   1HG   GLU  43          2HG       GLU  43   9.836  11.205   2.894
  361   2HG   GLU  43          3HG       GLU  43  10.601   9.822   2.126
  362    H    GLU  44           H        GLU  44  10.388   8.178   1.072
  363    HA   GLU  44           HA       GLU  44   9.031   8.532  -1.428
  364   1HB   GLU  44          2HB       GLU  44  11.371   9.290  -1.104
  365   2HB   GLU  44          3HB       GLU  44  11.918   7.605  -1.130
  366   1HG   GLU  44          2HG       GLU  44  10.789   7.485  -3.493
  367   2HG   GLU  44          3HG       GLU  44  10.668   9.233  -3.396
  368    H    VAL  45           H        VAL  45  10.538   5.627   0.062
  369    HA   VAL  45           HA       VAL  45  10.181   3.875  -2.114
  370    HB   VAL  45           HB       VAL  45   9.972   2.132  -0.267
  371   1HG1  VAL  45          1HG       VAL  45  12.310   4.027  -0.560
  372   2HG1  VAL  45          2HG       VAL  45  12.399   2.580   0.470
  373   3HG1  VAL  45          3HG       VAL  45  12.078   2.416  -1.267
  374   1HG2  VAL  45          1HG       VAL  45   9.120   3.787   1.499
  375   2HG2  VAL  45          2HG       VAL  45  10.413   2.685   1.978
  376   3HG2  VAL  45          3HG       VAL  45  10.793   4.373   1.586
  377    H    LEU  46           H        LEU  46   7.754   5.132   0.345
  378    HA   LEU  46           HA       LEU  46   5.809   3.225  -0.562
  379   1HB   LEU  46          2HB       LEU  46   5.350   5.965   0.568
  380   2HB   LEU  46          3HB       LEU  46   4.288   4.583   0.708
  381    HG   LEU  46           HG       LEU  46   6.938   5.160   2.087
  382   1HD1  LEU  46          1HD       LEU  46   5.741   5.585   3.888
  383   2HD1  LEU  46          2HD       LEU  46   4.258   5.344   2.954
  384   3HD1  LEU  46          3HD       LEU  46   4.986   3.990   3.830
  385   1HD2  LEU  46          1HD       LEU  46   7.121   2.793   1.302
  386   2HD2  LEU  46          2HD       LEU  46   7.103   3.003   3.038
  387   3HD2  LEU  46          3HD       LEU  46   5.654   2.411   2.204
  388    H    ARG  47           H        ARG  47   6.965   6.301  -1.910
  389    HA   ARG  47           HA       ARG  47   4.751   6.441  -3.822
  390   1HB   ARG  47          2HB       ARG  47   5.680   8.504  -2.898
  391   2HB   ARG  47          3HB       ARG  47   7.295   8.066  -3.479
  392   1HG   ARG  47          2HG       ARG  47   6.423   8.123  -5.832
  393   2HG   ARG  47          3HG       ARG  47   4.863   8.681  -5.218
  394   1HD   ARG  47          2HD       ARG  47   5.841  10.734  -4.437
  395   2HD   ARG  47          3HD       ARG  47   7.486  10.115  -4.612
  396    HE   ARG  47           HE       ARG  47   5.824  11.282  -6.664
  397   1HH1  ARG  47          2HH       ARG  47   8.480   8.998  -6.117
  398   2HH1  ARG  47          1HH       ARG  47   9.069   9.031  -7.733
  399   1HH2  ARG  47          2HH       ARG  47   6.610  11.366  -8.850
  400   2HH2  ARG  47          1HH       ARG  47   7.988  10.435  -9.312
  401    H    GLU  48           H        GLU  48   8.070   5.137  -3.793
  402    HA   GLU  48           HA       GLU  48   8.422   5.133  -6.666
  403   1HB   GLU  48          2HB       GLU  48   9.820   4.117  -4.236
  404   2HB   GLU  48          3HB       GLU  48  10.077   3.148  -5.669
  405   1HG   GLU  48          2HG       GLU  48  10.348   6.065  -6.175
  406   2HG   GLU  48          3HG       GLU  48  11.477   5.446  -4.973
  407    H    GLN  49           H        GLN  49   6.541   3.254  -4.504
  408    HA   GLN  49           HA       GLN  49   6.026   1.223  -6.634
  409   1HB   GLN  49          2HB       GLN  49   5.890   1.076  -3.615
  410   2HB   GLN  49          3HB       GLN  49   5.456  -0.242  -4.732
  411   1HG   GLN  49          2HG       GLN  49   8.254   0.987  -4.598
  412   2HG   GLN  49          3HG       GLN  49   7.733  -0.408  -3.673
  413   1HE2  GLN  49          1HE       GLN  49   9.874  -0.816  -5.355
  414   2HE2  GLN  49          2HE       GLN  49   9.317  -1.807  -6.689
  415    H    ALA  50           H        ALA  50   4.867   3.971  -5.628
  416    HA   ALA  50           HA       ALA  50   2.306   3.598  -4.603
  417   1HB   ALA  50          1HB       ALA  50   1.745   5.723  -6.031
  418   2HB   ALA  50          2HB       ALA  50   2.891   5.830  -4.690
  419   3HB   ALA  50          3HB       ALA  50   3.479   5.726  -6.376
  420    H    GLY  51           H        GLY  51   0.319   3.167  -5.436
  421   1HA   GLY  51          2HA       GLY  51  -1.179   1.995  -6.667
  422   2HA   GLY  51          3HA       GLY  51  -0.575   2.886  -8.070
  423    H    GLY  52           H        GLY  52   1.655   0.741  -6.275
  424   1HA   GLY  52          2HA       GLY  52   1.584  -1.205  -8.503
  425   2HA   GLY  52          3HA       GLY  52   3.060  -0.390  -7.935
  426    H    ASP  53           H        ASP  53   3.183  -3.012  -7.879
  427    HA   ASP  53           HA       ASP  53   2.155  -4.094  -5.352
  428   1HB   ASP  53          2HB       ASP  53   2.360  -5.275  -7.746
  429   2HB   ASP  53          3HB       ASP  53   3.956  -5.709  -7.114
  430    H    ALA  54           H        ALA  54   3.267  -3.419  -3.605
  431    HA   ALA  54           HA       ALA  54   6.252  -3.252  -3.833
  432   1HB   ALA  54          1HB       ALA  54   6.197  -1.971  -1.843
  433   2HB   ALA  54          2HB       ALA  54   4.996  -1.273  -2.947
  434   3HB   ALA  54          3HB       ALA  54   4.449  -2.284  -1.601
  435    H    THR  55           H        THR  55   3.956  -5.594  -3.035
  436    HA   THR  55           HA       THR  55   4.838  -6.439  -0.480
  437    HB   THR  55           HB       THR  55   3.298  -7.547  -2.784
  438    HG1  THR  55          1HG       THR  55   2.949  -7.695   0.017
  439   1HG2  THR  55          1HG       THR  55   4.531  -9.412  -0.748
  440   2HG2  THR  55          2HG       THR  55   3.114  -9.783  -1.769
  441   3HG2  THR  55          3HG       THR  55   4.679  -9.458  -2.529
  442    H    GLU  56           H        GLU  56   6.249  -6.876  -3.716
  443    HA   GLU  56           HA       GLU  56   8.122  -8.881  -3.056
  444   1HB   GLU  56          2HB       GLU  56   8.352  -6.488  -4.921
  445   2HB   GLU  56          3HB       GLU  56   9.497  -7.832  -4.873
  446   1HG   GLU  56          2HG       GLU  56   6.816  -8.931  -5.053
  447   2HG   GLU  56          3HG       GLU  56   6.959  -7.650  -6.251
  448    H    ASN  57           H        ASN  57   8.462  -5.266  -2.676
  449    HA   ASN  57           HA       ASN  57  11.109  -5.470  -1.570
  450   1HB   ASN  57          2HB       ASN  57   8.945  -3.315  -1.522
  451   2HB   ASN  57          3HB       ASN  57  10.465  -3.146  -0.652
  452   1HD2  ASN  57          1HD       ASN  57  12.355  -2.560  -1.774
  453   2HD2  ASN  57          2HD       ASN  57  12.345  -2.350  -3.517
  454    H    PHE  58           H        PHE  58   8.022  -4.673  -0.074
  455    HA   PHE  58           HA       PHE  58   8.539  -4.874   2.625
  456   1HB   PHE  58          2HB       PHE  58   6.297  -4.622   1.534
  457   2HB   PHE  58          3HB       PHE  58   6.196  -6.374   1.436
  458    HD1  PHE  58          1HD       PHE  58   6.406  -7.700   3.743
  459    HD2  PHE  58          2HD       PHE  58   5.510  -3.507   3.412
  460    HE1  PHE  58          1HE       PHE  58   5.434  -7.728   6.013
  461    HE2  PHE  58          2HE       PHE  58   4.526  -3.538   5.696
  462    HZ   PHE  58           HZ       PHE  58   4.491  -5.644   7.001
  463    H    GLU  59           H        GLU  59   8.106  -7.888   0.656
  464    HA   GLU  59           HA       GLU  59   8.677  -9.609   2.947
  465   1HB   GLU  59          2HB       GLU  59   7.834  -9.897   0.113
  466   2HB   GLU  59          3HB       GLU  59   8.919 -11.162   0.633
  467   1HG   GLU  59          2HG       GLU  59   6.515 -10.398   2.322
  468   2HG   GLU  59          3HG       GLU  59   6.372 -11.503   0.953
  469    H    ASP  60           H        ASP  60  10.486  -8.489   0.070
  470    HA   ASP  60           HA       ASP  60  12.746 -10.164   0.249
  471   1HB   ASP  60          2HB       ASP  60  12.190  -7.403  -0.839
  472   2HB   ASP  60          3HB       ASP  60  13.865  -7.778  -0.523
  473    H    VAL  61           H        VAL  61  11.975  -7.098   1.817
  474    HA   VAL  61           HA       VAL  61  14.364  -7.279   3.487
  475    HB   VAL  61           HB       VAL  61  12.048  -5.269   3.482
  476   1HG1  VAL  61          1HG       VAL  61  14.619  -5.336   5.029
  477   2HG1  VAL  61          2HG       VAL  61  14.028  -3.757   4.478
  478   3HG1  VAL  61          3HG       VAL  61  13.004  -4.769   5.507
  479   1HG2  VAL  61          1HG       VAL  61  13.312  -5.216   1.306
  480   2HG2  VAL  61          2HG       VAL  61  13.342  -3.706   2.213
  481   3HG2  VAL  61          3HG       VAL  61  14.769  -4.765   2.219
  482    H    GLY  62           H        GLY  62  10.991  -8.023   3.926
  483   1HA   GLY  62          2HA       GLY  62  10.731 -10.032   5.197
  484   2HA   GLY  62          3HA       GLY  62  12.072  -9.529   6.251
  485    H    HIS  63           HN       HIS  63  11.522  -6.829   6.568
  486    HA   HIS  63           HA       HIS  63  10.597  -5.513   8.050
  487   1HB   HIS  63          2HB       HIS  63   8.158  -6.666   6.691
  488   2HB   HIS  63          3HB       HIS  63   7.886  -5.703   8.107
  489    HD1  HIS  63           HND      HIS  63   9.143  -5.354   4.567
  490    HD2  HIS  63           HD       HIS  63   8.270  -3.070   7.970
  491    HE1  HIS  63           HE       HIS  63   9.035  -2.946   3.786
  492    H    SER  64           H        SER  64   8.787  -5.579  10.070
  493    HA   SER  64           HA       SER  64   9.010  -8.230  11.371
  494   1HB   SER  64          2HB       SER  64   9.864  -5.548  12.384
  495   2HB   SER  64          3HB       SER  64   8.971  -6.584  13.511
  496    HG   SER  64           HG       SER  64  11.299  -7.259  12.046
  497    H    THR  65           H        THR  65   7.347  -8.302  13.229
  498    HA   THR  65           HA       THR  65   4.865  -8.182  12.010
  499    HB   THR  65           HB       THR  65   5.763  -8.488  14.893
  500    HG1  THR  65          1HG       THR  65   5.498 -10.680  14.317
  501   1HG2  THR  65          1HG       THR  65   3.590  -9.621  15.263
  502   2HG2  THR  65          2HG       THR  65   3.384  -7.907  14.900
  503   3HG2  THR  65          3HG       THR  65   3.067  -9.116  13.633
  504    H    ASP  66           H        ASP  66   6.568  -5.730  13.879
  505    HA   ASP  66           HA       ASP  66   4.391  -4.162  14.836
  506   1HB   ASP  66          2HB       ASP  66   6.084  -2.413  14.935
  507   2HB   ASP  66          3HB       ASP  66   6.743  -3.938  15.551
  508    H    ALA  67           H        ALA  67   6.175  -4.340  11.833
  509    HA   ALA  67           HA       ALA  67   4.706  -2.178  10.574
  510   1HB   ALA  67          1HB       ALA  67   7.007  -2.775   9.904
  511   2HB   ALA  67          2HB       ALA  67   6.436  -4.353   9.341
  512   3HB   ALA  67          3HB       ALA  67   5.872  -2.882   8.524
  513    H    ARG  68           H        ARG  68   4.630  -5.743  10.445
  514    HA   ARG  68           HA       ARG  68   2.743  -6.245   8.461
  515   1HB   ARG  68          2HB       ARG  68   3.749  -7.995   9.483
  516   2HB   ARG  68          3HB       ARG  68   3.117  -7.598  11.082
  517   1HG   ARG  68          2HG       ARG  68   1.045  -7.992   8.958
  518   2HG   ARG  68          3HG       ARG  68   1.973  -9.407   9.418
  519   1HD   ARG  68          2HD       ARG  68   1.504  -8.802  11.882
  520   2HD   ARG  68          3HD       ARG  68   0.398  -7.573  11.305
  521    HE   ARG  68           HE       ARG  68  -1.160  -9.150  11.067
  522   1HH1  ARG  68          2HH       ARG  68   1.970 -10.740  10.978
  523   2HH1  ARG  68          1HH       ARG  68   1.371 -12.341  10.742
  524   1HH2  ARG  68          2HH       ARG  68  -2.044 -11.345  10.769
  525   2HH2  ARG  68          1HH       ARG  68  -0.960 -12.669  10.622
  526    H    GLU  69           H        GLU  69   2.417  -5.021  11.869
  527    HA   GLU  69           HA       GLU  69  -0.437  -5.227  12.188
  528   1HB   GLU  69          2HB       GLU  69   1.883  -4.324  13.809
  529   2HB   GLU  69          3HB       GLU  69   0.479  -3.281  14.006
  530   1HG   GLU  69          2HG       GLU  69  -0.867  -5.493  14.297
  531   2HG   GLU  69          3HG       GLU  69   0.712  -6.227  14.614
  532    H    LEU  70           H        LEU  70   1.678  -2.278  11.693
  533    HA   LEU  70           HA       LEU  70  -0.509  -0.540  11.439
  534   1HB   LEU  70          2HB       LEU  70   2.384  -0.634  10.680
  535   2HB   LEU  70          3HB       LEU  70   1.393   0.527   9.863
  536    HG   LEU  70           HG       LEU  70   2.320   1.790  11.471
  537   1HD1  LEU  70          1HD       LEU  70   0.610   2.472  12.977
  538   2HD1  LEU  70          2HD       LEU  70  -0.203   1.882  11.516
  539   3HD1  LEU  70          3HD       LEU  70  -0.133   0.855  12.980
  540   1HD2  LEU  70          1HD       LEU  70   1.848  -0.449  13.456
  541   2HD2  LEU  70          2HD       LEU  70   3.377  -0.084  12.623
  542   3HD2  LEU  70          3HD       LEU  70   2.698   1.094  13.765
  543    H    SER  71           H        SER  71   0.885  -2.765   9.056
  544    HA   SER  71           HA       SER  71  -0.602  -2.123   6.682
  545   1HB   SER  71          2HB       SER  71   0.824  -4.381   7.846
  546   2HB   SER  71          3HB       SER  71  -0.633  -4.897   6.968
  547    HG   SER  71           HG       SER  71   1.758  -3.889   6.093
  548    H    LYS  72           H        LYS  72  -1.907  -3.427   9.703
  549    HA   LYS  72           HA       LYS  72  -4.434  -3.954   8.429
  550   1HB   LYS  72          2HB       LYS  72  -3.222  -4.614  10.870
  551   2HB   LYS  72          3HB       LYS  72  -4.376  -3.378  11.345
  552   1HG   LYS  72          2HG       LYS  72  -5.517  -5.506  11.412
  553   2HG   LYS  72          3HG       LYS  72  -6.138  -4.681   9.971
  554   1HD   LYS  72          2HD       LYS  72  -5.272  -6.300   8.582
  555   2HD   LYS  72          3HD       LYS  72  -3.683  -6.164   9.345
  556   1HE   LYS  72          2HE       LYS  72  -4.846  -7.419  11.352
  557   2HE   LYS  72          3HE       LYS  72  -5.997  -7.951  10.116
  558   1HZ   LYS  72          1HZ       LYS  72  -3.897  -9.292  10.635
  559   2HZ   LYS  72          2HZ       LYS  72  -4.349  -9.129   9.055
  560   3HZ   LYS  72          3HZ       LYS  72  -3.123  -8.203   9.652
  561    H    THR  73           H        THR  73  -3.029  -1.099  10.104
  562    HA   THR  73           HA       THR  73  -5.625   0.255   9.998
  563    HB   THR  73           HB       THR  73  -3.596   0.415  11.739
  564    HG1  THR  73          1HG       THR  73  -5.610   1.282  12.058
  565   1HG2  THR  73          1HG       THR  73  -2.047   1.559  10.157
  566   2HG2  THR  73          2HG       THR  73  -3.194   2.921  10.073
  567   3HG2  THR  73          3HG       THR  73  -2.429   2.506  11.611
  568    H    PHE  74           H        PHE  74  -3.291  -0.411   7.669
  569    HA   PHE  74           HA       PHE  74  -3.620   2.173   6.225
  570   1HB   PHE  74          2HB       PHE  74  -2.018  -0.350   5.789
  571   2HB   PHE  74          3HB       PHE  74  -1.965   1.057   4.708
  572    HD1  PHE  74          1HD       PHE  74   0.395   0.152   5.415
  573    HD2  PHE  74          2HD       PHE  74  -2.187   2.603   7.828
  574    HE1  PHE  74          1HE       PHE  74   2.368   1.038   6.640
  575    HE2  PHE  74          2HE       PHE  74  -0.247   3.298   9.197
  576    HZ   PHE  74           HZ       PHE  74   1.992   2.408   8.642
  577    H    ILE  75           H        ILE  75  -4.556  -1.277   5.984
  578    HA   ILE  75           HA       ILE  75  -5.345  -1.189   3.300
  579    HB   ILE  75           HB       ILE  75  -5.536  -2.955   5.520
  580   1HG1  ILE  75          2HG       ILE  75  -6.440  -3.644   2.728
  581   2HG1  ILE  75          3HG       ILE  75  -4.766  -3.146   3.012
  582   1HG2  ILE  75          1HG       ILE  75  -7.706  -4.061   5.154
  583   2HG2  ILE  75          2HG       ILE  75  -7.888  -2.442   5.839
  584   3HG2  ILE  75          3HG       ILE  75  -8.221  -2.728   4.107
  585   1HD1  ILE  75          1HD       ILE  75  -6.144  -5.562   4.200
  586   2HD1  ILE  75          2HD       ILE  75  -4.626  -5.459   3.274
  587   3HD1  ILE  75          3HD       ILE  75  -4.666  -4.870   4.917
  588    H    ILE  76           H        ILE  76  -6.769  -0.115   2.236
  589    HA   ILE  76           HA       ILE  76  -8.964   1.251   3.733
  590    HB   ILE  76           HB       ILE  76  -8.918   2.917   1.868
  591   1HG1  ILE  76          2HG       ILE  76  -6.729   3.193   0.664
  592   2HG1  ILE  76          3HG       ILE  76  -6.252   1.568   1.154
  593   1HG2  ILE  76          1HG       ILE  76  -6.248   2.837   3.215
  594   2HG2  ILE  76          2HG       ILE  76  -7.269   4.224   2.801
  595   3HG2  ILE  76          3HG       ILE  76  -7.740   3.138   4.138
  596   1HD1  ILE  76          1HD       ILE  76  -8.140   0.640  -0.089
  597   2HD1  ILE  76          2HD       ILE  76  -8.762   2.276  -0.388
  598   3HD1  ILE  76          3HD       ILE  76  -7.227   1.732  -1.129
  599    H    GLY  77           H        GLY  77  -8.503  -1.483   1.989
  600   1HA   GLY  77          2HA       GLY  77 -11.130  -2.009   1.415
  601   2HA   GLY  77          3HA       GLY  77 -10.511  -1.189  -0.036
  602    H    GLU  78           H        GLU  78 -10.848  -3.363  -1.132
  603    HA   GLU  78           HA       GLU  78  -8.406  -4.953  -0.874
  604   1HB   GLU  78          2HB       GLU  78 -11.178  -6.174  -1.028
  605   2HB   GLU  78          3HB       GLU  78  -9.643  -7.043  -1.191
  606   1HG   GLU  78          2HG       GLU  78  -9.033  -6.096   1.122
  607   2HG   GLU  78          3HG       GLU  78 -10.722  -5.602   1.267
  608    H    LEU  79           H        LEU  79  -8.163  -6.294  -2.973
  609    HA   LEU  79           HA       LEU  79  -8.661  -4.562  -5.242
  610   1HB   LEU  79          2HB       LEU  79  -7.352  -7.236  -4.694
  611   2HB   LEU  79          3HB       LEU  79  -7.770  -6.816  -6.353
  612    HG   LEU  79           HG       LEU  79  -6.404  -4.831  -6.281
  613   1HD1  LEU  79          1HD       LEU  79  -6.373  -5.163  -3.394
  614   2HD1  LEU  79          2HD       LEU  79  -4.750  -5.071  -3.995
  615   3HD1  LEU  79          3HD       LEU  79  -5.871  -3.797  -4.428
  616   1HD2  LEU  79          1HD       LEU  79  -4.161  -6.330  -5.570
  617   2HD2  LEU  79          2HD       LEU  79  -5.380  -7.565  -5.893
  618   3HD2  LEU  79          3HD       LEU  79  -4.991  -6.344  -7.110
  619    H    HIS  80           H        HIS  80 -10.434  -4.635  -6.521
  620    HA   HIS  80           HA       HIS  80 -12.702  -6.156  -5.956
  621   1HB   HIS  80          2HB       HIS  80 -11.742  -4.496  -8.214
  622   2HB   HIS  80          3HB       HIS  80 -12.960  -5.631  -8.680
  623    HD1  HIS  80           HD1      HIS  80 -12.807  -2.234  -7.479
  624    HD2  HIS  80           HD2      HIS  80 -15.386  -5.468  -7.085
  625    HE1  HIS  80           HE1      HIS  80 -15.028  -1.283  -6.684
  626    HA   PRO  81           HA       PRO  81 -12.082 -10.097  -7.664
  627   1HB   PRO  81          2HB       PRO  81 -14.627 -10.852  -8.475
  628   2HB   PRO  81          3HB       PRO  81 -14.182 -10.613  -6.762
  629   1HG   PRO  81          2HG       PRO  81 -15.729  -8.779  -8.572
  630   2HG   PRO  81          3HG       PRO  81 -15.899  -9.047  -6.810
  631   1HD   PRO  81          2HD       PRO  81 -14.513  -6.974  -8.119
  632   2HD   PRO  81          3HD       PRO  81 -14.396  -7.371  -6.371
  633    H    ASP  82           H        ASP  82 -10.710  -9.233  -9.271
  634    HA   ASP  82           HA       ASP  82 -11.545 -10.161 -11.929
  635   1HB   ASP  82          2HB       ASP  82 -12.085  -7.628 -11.718
  636   2HB   ASP  82          3HB       ASP  82 -10.347  -7.364 -11.657
  637    H    ASP  83           H        ASP  83  -9.056  -8.255 -10.245
  638    HA   ASP  83           HA       ASP  83  -6.830  -9.749 -11.467
  639   1HB   ASP  83          2HB       ASP  83  -6.515  -7.410 -11.091
  640   2HB   ASP  83          3HB       ASP  83  -7.061  -7.533  -9.406
  641    H    ARG  84           H        ARG  84  -8.288  -9.388  -8.216
  642    HA   ARG  84           HA       ARG  84  -6.511 -11.253  -7.013
  643   1HB   ARG  84          2HB       ARG  84  -8.639  -9.544  -6.136
  644   2HB   ARG  84          3HB       ARG  84  -9.133 -11.163  -5.666
  645   1HG   ARG  84          2HG       ARG  84  -6.327 -10.852  -5.038
  646   2HG   ARG  84          3HG       ARG  84  -7.203  -9.436  -4.449
  647   1HD   ARG  84          2HD       ARG  84  -7.292 -10.837  -2.652
  648   2HD   ARG  84          3HD       ARG  84  -8.854 -11.181  -3.417
  649    HE   ARG  84           HE       ARG  84  -7.166 -13.024  -4.570
  650   1HH1  ARG  84          2HH       ARG  84  -8.129 -12.199  -1.291
  651   2HH1  ARG  84          1HH       ARG  84  -7.678 -13.706  -0.572
  652   1HH2  ARG  84          2HH       ARG  84  -6.468 -15.056  -3.653
  653   2HH2  ARG  84          1HH       ARG  84  -6.695 -15.384  -1.971
  654    H    SER  85           H        SER  85  -9.341 -11.746  -8.923
  655    HA   SER  85           HA       SER  85  -9.804 -14.494  -8.033
  656   1HB   SER  85          2HB       SER  85 -11.534 -12.810  -8.936
  657   2HB   SER  85          3HB       SER  85 -10.858 -13.145 -10.543
  658    HG   SER  85           HG       SER  85 -12.612 -14.499 -10.079
  659    H    LYS  86           H        LYS  86  -7.439 -12.957  -9.925
  660    HA   LYS  86           HA       LYS  86  -6.945 -15.429 -11.490
  661   1HB   LYS  86          2HB       LYS  86  -6.923 -12.690 -12.162
  662   2HB   LYS  86          3HB       LYS  86  -5.219 -13.102 -12.079
  663   1HG   LYS  86          2HG       LYS  86  -7.186 -14.855 -13.612
  664   2HG   LYS  86          3HG       LYS  86  -6.600 -13.349 -14.303
  665   1HD   LYS  86          2HD       LYS  86  -5.276 -15.148 -15.144
  666   2HD   LYS  86          3HD       LYS  86  -4.266 -14.116 -14.125
  667   1HE   LYS  86          2HE       LYS  86  -3.901 -15.731 -12.570
  668   2HE   LYS  86          3HE       LYS  86  -5.541 -16.367 -12.667
  669   1HZ   LYS  86          1HZ       LYS  86  -3.996 -16.879 -15.017
  670   2HZ   LYS  86          2HZ       LYS  86  -3.372 -17.570 -13.660
  671   3HZ   LYS  86          3HZ       LYS  86  -4.918 -17.898 -14.109
  672    H    LEU  87           H        LEU  87  -5.484 -13.201  -9.105
  673    HA   LEU  87           HA       LEU  87  -2.965 -14.517  -8.883
  674   1HB   LEU  87          2HB       LEU  87  -4.597 -12.711  -7.100
  675   2HB   LEU  87          3HB       LEU  87  -3.114 -13.438  -6.489
  676    HG   LEU  87           HG       LEU  87  -2.914 -12.244  -9.219
  677   1HD1  LEU  87          1HD       LEU  87  -2.763  -9.953  -8.456
  678   2HD1  LEU  87          2HD       LEU  87  -4.348 -10.616  -8.066
  679   3HD1  LEU  87          3HD       LEU  87  -3.143 -10.435  -6.788
  680   1HD2  LEU  87          1HD       LEU  87  -1.017 -11.459  -7.073
  681   2HD2  LEU  87          2HD       LEU  87  -1.062 -13.194  -7.420
  682   3HD2  LEU  87          3HD       LEU  87  -0.705 -12.028  -8.712
  683    H    SER  88           H        SER  88  -2.878 -16.643  -8.642
  684    HA   SER  88           HA       SER  88  -3.158 -18.728  -7.916
  685   1HB   SER  88          2HB       SER  88  -3.256 -17.701  -5.101
  686   2HB   SER  88          3HB       SER  88  -2.278 -18.980  -5.855
  687    HG   SER  88           HG       SER  88  -1.000 -17.392  -6.797
  688    H    LYS  89           H        LYS  89  -5.450 -18.570  -8.901
  689    HA   LYS  89           HA       LYS  89  -7.550 -18.498  -6.857
  690   1HB   LYS  89          2HB       LYS  89  -7.676 -17.267  -9.012
  691   2HB   LYS  89          3HB       LYS  89  -7.829 -18.810  -9.864
  692   1HG   LYS  89          2HG       LYS  89  -9.698 -18.773  -7.629
  693   2HG   LYS  89          3HG       LYS  89  -9.878 -17.269  -8.526
  694   1HD   LYS  89          2HD       LYS  89 -10.174 -18.551 -10.626
  695   2HD   LYS  89          3HD       LYS  89  -9.959 -20.068  -9.725
  696   1HE   LYS  89          2HE       LYS  89 -11.928 -18.483  -8.345
  697   2HE   LYS  89          3HE       LYS  89 -12.341 -18.443 -10.062
  698   1HZ   LYS  89          1HZ       LYS  89 -12.201 -20.888 -10.029
  699   2HZ   LYS  89          2HZ       LYS  89 -11.922 -20.870  -8.414
  700   3HZ   LYS  89          3HZ       LYS  89 -13.370 -20.324  -9.014
  701    HA   PRO  90           HA       PRO  90  -7.403 -23.009  -6.941
  702   1HB   PRO  90          2HB       PRO  90  -8.966 -23.488  -4.726
  703   2HB   PRO  90          3HB       PRO  90  -7.266 -22.949  -4.643
  704   1HG   PRO  90          2HG       PRO  90  -9.774 -21.323  -4.285
  705   2HG   PRO  90          3HG       PRO  90  -8.211 -21.202  -3.417
  706   1HD   PRO  90          2HD       PRO  90  -9.029 -19.583  -5.556
  707   2HD   PRO  90          3HD       PRO  90  -7.337 -19.811  -5.021
  708    H    MET  91           H        MET  91  -9.284 -24.703  -6.570
  709    HA   MET  91           HA       MET  91 -11.107 -24.250  -8.770
  710   1HB   MET  91          2HB       MET  91  -9.824 -26.414  -8.014
  711   2HB   MET  91          3HB       MET  91 -11.150 -26.628  -6.869
  712   1HG   MET  91          2HG       MET  91 -12.581 -27.293  -8.517
  713   2HG   MET  91          3HG       MET  91 -12.063 -26.008  -9.612
  714   1HE   MET  91          1HE       MET  91 -12.773 -29.181 -10.558
  715   2HE   MET  91          2HE       MET  91 -12.634 -27.648 -11.454
  716   3HE   MET  91          3HE       MET  91 -11.643 -29.048 -11.925
  717    H    GLU  92           H        GLU  92 -13.525 -24.975  -8.408
  718    HA   GLU  92           HA       GLU  92 -14.570 -24.496  -5.753
  719   1HB   GLU  92          2HB       GLU  92 -14.308 -22.287  -7.400
  720   2HB   GLU  92          3HB       GLU  92 -15.909 -22.824  -7.863
  721   1HG   GLU  92          2HG       GLU  92 -15.419 -22.756  -4.907
  722   2HG   GLU  92          3HG       GLU  92 -15.212 -21.208  -5.706
  723    H    THR  93           H        THR  93 -15.583 -26.492  -5.696
  724    HA   THR  93           HA       THR  93 -16.600 -27.704  -8.169
  725    HB   THR  93           HB       THR  93 -15.592 -29.139  -6.466
  726    HG1  THR  93          1HG       THR  93 -18.379 -29.585  -6.499
  727   1HG2  THR  93          1HG       THR  93 -16.014 -28.031  -4.366
  728   2HG2  THR  93          2HG       THR  93 -17.773 -28.140  -4.583
  729   3HG2  THR  93          3HG       THR  93 -16.817 -29.606  -4.319
  730    H    LEU  94           H        LEU  94 -18.829 -28.022  -8.588
  731    HA   LEU  94           HA       LEU  94 -21.051 -27.639  -8.583
  732   1HB   LEU  94          2HB       LEU  94 -20.527 -28.009  -5.869
  733   2HB   LEU  94          3HB       LEU  94 -21.276 -26.431  -5.877
  734    HG   LEU  94           HG       LEU  94 -22.804 -28.365  -5.496
  735   1HD1  LEU  94          1HD       LEU  94 -24.605 -27.673  -7.054
  736   2HD1  LEU  94          2HD       LEU  94 -23.758 -26.286  -6.326
  737   3HD1  LEU  94          3HD       LEU  94 -23.412 -26.745  -7.997
  738   1HD2  LEU  94          1HD       LEU  94 -22.711 -29.069  -8.419
  739   2HD2  LEU  94          2HD       LEU  94 -21.490 -29.755  -7.324
  740   3HD2  LEU  94          3HD       LEU  94 -23.215 -30.039  -7.025
  741    HHA  HEM  95          MHG       HEM  95  12.092  -0.390   8.432
  742    HHB  HEM  95          MHD       HEM  95   5.770  -0.249   9.578
  743    HHC  HEM  95          MHA       HEM  95   4.746  -1.221   3.301
  744    HHD  HEM  95          MHB       HEM  95  10.951  -0.207   2.085
  745   1HMA  HEM  95          1HM       HEM  95   7.201  -1.247  11.647
  746   2HMA  HEM  95          2HM       HEM  95   8.463  -0.185  12.299
  747   3HMA  HEM  95          3HM       HEM  95   7.051   0.508  11.492
  748   1HAA  HEM  95          1HP       HEM  95  10.546  -0.660  11.910
  749   2HAA  HEM  95          2HP       HEM  95  11.663  -0.010  10.724
  750   1HBA  HEM  95          3HP       HEM  95  11.826  -2.342   9.719
  751   2HBA  HEM  95          4HP       HEM  95  10.894  -2.914  11.108
  752   1HMB  HEM  95          1HM       HEM  95   3.261   0.437   8.668
  753   2HMB  HEM  95          2HM       HEM  95   2.355  -0.968   7.980
  754   3HMB  HEM  95          3HM       HEM  95   3.675  -1.197   9.141
  755    HAB  HEM  95          AHT       HEM  95   2.142  -1.869   5.846
  756   1HBB  HEM  95          CHV       HEM  95   3.045   0.206   3.846
  757   2HBB  HEM  95          THV       HEM  95   1.520  -0.870   3.743
  758   1HMC  HEM  95          1HM       HEM  95   4.936  -0.678   1.210
  759   2HMC  HEM  95          2HM       HEM  95   6.039  -0.709  -0.124
  760   3HMC  HEM  95          3HM       HEM  95   5.702  -2.225   0.744
  761    HAC  HEM  95          AHT       HEM  95   9.937  -0.986   0.113
  762   1HBC  HEM  95          THV       HEM  95   9.070   0.236  -1.731
  763   2HBC  HEM  95          CHV       HEM  95   7.532   0.662  -0.788
  764   1HMD  HEM  95          1HM       HEM  95  14.356   0.376   3.679
  765   2HMD  HEM  95          2HM       HEM  95  13.390  -0.698   2.651
  766   3HMD  HEM  95          3HM       HEM  95  13.041   1.043   2.698
  767   1HAD  HEM  95          1HP       HEM  95  13.772   0.629   7.420
  768   2HAD  HEM  95          2HP       HEM  95  14.422   1.061   5.854
  769   1HBD  HEM  95          3HP       HEM  95  15.041  -1.318   5.449
  770   2HBD  HEM  95          4HP       HEM  95  14.382  -1.749   7.037
  Start of MODEL   13
    1   1H    ASP   1           H1       ASP   1 -19.399   1.599   7.564
    2   2H    ASP   1           H2       ASP   1 -18.209   1.761   6.449
    3   3H    ASP   1           H3       ASP   1 -19.054   3.095   6.873
    4    HA   ASP   1           HA       ASP   1 -20.953   2.405   5.748
    5   1HB   ASP   1          2HB       ASP   1 -18.490   1.564   4.164
    6   2HB   ASP   1          3HB       ASP   1 -20.080   1.978   3.469
    7    H    LYS   2           H        LYS   2 -22.322   0.452   4.996
    8    HA   LYS   2           HA       LYS   2 -21.650  -1.808   6.731
    9   1HB   LYS   2          2HB       LYS   2 -23.753  -1.637   4.506
   10   2HB   LYS   2          3HB       LYS   2 -23.472  -3.028   5.543
   11   1HG   LYS   2          2HG       LYS   2 -25.075  -2.136   6.846
   12   2HG   LYS   2          3HG       LYS   2 -23.741  -1.182   7.489
   13   1HD   LYS   2          2HD       LYS   2 -24.547   0.337   5.293
   14   2HD   LYS   2          3HD       LYS   2 -26.073  -0.383   5.838
   15   1HE   LYS   2          2HE       LYS   2 -25.664   0.444   8.124
   16   2HE   LYS   2          3HE       LYS   2 -24.101   1.109   7.628
   17   1HZ   LYS   2          1HZ       LYS   2 -26.398   2.473   7.612
   18   2HZ   LYS   2          2HZ       LYS   2 -25.089   2.870   6.699
   19   3HZ   LYS   2          3HZ       LYS   2 -26.323   2.004   6.039
   20    H    ASP   3           H        ASP   3 -21.402  -1.079   3.295
   21    HA   ASP   3           HA       ASP   3 -20.067  -3.553   2.607
   22   1HB   ASP   3          2HB       ASP   3 -21.154  -1.221   1.249
   23   2HB   ASP   3          3HB       ASP   3 -19.462  -1.338   0.807
   24    H    VAL   4           H        VAL   4 -17.789  -3.002   1.358
   25    HA   VAL   4           HA       VAL   4 -16.080  -1.764   3.462
   26    HB   VAL   4           HB       VAL   4 -15.215  -3.850   1.481
   27   1HG1  VAL   4          1HG       VAL   4 -14.178  -3.655   4.288
   28   2HG1  VAL   4          2HG       VAL   4 -13.335  -4.093   2.792
   29   3HG1  VAL   4          3HG       VAL   4 -13.686  -2.390   3.159
   30   1HG2  VAL   4          1HG       VAL   4 -16.483  -4.413   4.186
   31   2HG2  VAL   4          2HG       VAL   4 -17.093  -4.939   2.603
   32   3HG2  VAL   4          3HG       VAL   4 -15.576  -5.597   3.217
   33    H    LYS   5           H        LYS   5 -14.084  -2.294   1.070
   34    HA   LYS   5           HA       LYS   5 -14.832  -0.062  -0.705
   35   1HB   LYS   5          2HB       LYS   5 -12.720   0.055   1.364
   36   2HB   LYS   5          3HB       LYS   5 -12.084   0.297  -0.264
   37   1HG   LYS   5          2HG       LYS   5 -12.583   2.430   0.155
   38   2HG   LYS   5          3HG       LYS   5 -14.114   1.958  -0.542
   39   1HD   LYS   5          2HD       LYS   5 -15.133   2.683   1.325
   40   2HD   LYS   5          3HD       LYS   5 -14.311   1.454   2.294
   41   1HE   LYS   5          2HE       LYS   5 -12.797   3.929   1.425
   42   2HE   LYS   5          3HE       LYS   5 -13.968   4.103   2.734
   43   1HZ   LYS   5          1HZ       LYS   5 -11.543   3.511   3.265
   44   2HZ   LYS   5          2HZ       LYS   5 -12.737   2.726   4.086
   45   3HZ   LYS   5          3HZ       LYS   5 -11.943   1.986   2.838
   46    H    TYR   6           H        TYR   6 -14.687  -1.031  -2.708
   47    HA   TYR   6           HA       TYR   6 -12.685  -3.203  -3.104
   48   1HB   TYR   6          2HB       TYR   6 -15.593  -2.870  -3.960
   49   2HB   TYR   6          3HB       TYR   6 -14.473  -3.855  -4.871
   50    HD1  TYR   6           HD1      TYR   6 -15.038  -3.565  -1.120
   51    HD2  TYR   6           HD2      TYR   6 -15.077  -6.059  -4.637
   52    HE1  TYR   6           HE1      TYR   6 -15.469  -5.550   0.287
   53    HE2  TYR   6           HE2      TYR   6 -15.634  -8.016  -3.224
   54    HH   TYR   6           HH       TYR   6 -15.720  -7.822   0.351
   55    H    TYR   7           H        TYR   7 -11.038  -2.016  -4.207
   56    HA   TYR   7           HA       TYR   7 -11.936  -0.110  -6.258
   57   1HB   TYR   7          2HB       TYR   7  -9.466  -0.422  -4.493
   58   2HB   TYR   7          3HB       TYR   7  -9.557   0.619  -5.857
   59    HD1  TYR   7           HD1      TYR   7 -11.827   2.193  -5.887
   60    HD2  TYR   7           HD2      TYR   7  -9.854   0.612  -2.394
   61    HE1  TYR   7           HE1      TYR   7 -12.643   4.108  -4.587
   62    HE2  TYR   7           HE2      TYR   7 -10.756   2.508  -1.058
   63    HH   TYR   7           HH       TYR   7 -12.183   5.314  -2.512
   64    H    THR   8           H        THR   8 -10.775  -0.186  -8.281
   65    HA   THR   8           HA       THR   8  -9.902  -2.904  -9.023
   66    HB   THR   8           HB       THR   8 -10.092  -1.727 -11.336
   67    HG1  THR   8          1HG       THR   8 -10.750   0.295 -11.316
   68   1HG2  THR   8          1HG       THR   8 -11.792  -3.255 -10.526
   69   2HG2  THR   8          2HG       THR   8 -12.500  -1.982  -9.492
   70   3HG2  THR   8          3HG       THR   8 -12.606  -1.857 -11.258
   71    H    LEU   9           H        LEU   9  -7.878  -3.205 -10.127
   72    HA   LEU   9           HA       LEU   9  -5.676  -1.885  -9.141
   73   1HB   LEU   9          2HB       LEU   9  -5.766  -3.089 -11.915
   74   2HB   LEU   9          3HB       LEU   9  -4.356  -2.769 -10.913
   75    HG   LEU   9           HG       LEU   9  -4.681  -5.040 -10.645
   76   1HD1  LEU   9          1HD       LEU   9  -6.142  -3.776  -8.275
   77   2HD1  LEU   9          2HD       LEU   9  -5.430  -5.382  -8.335
   78   3HD1  LEU   9          3HD       LEU   9  -4.376  -3.965  -8.457
   79   1HD2  LEU   9          1HD       LEU   9  -6.595  -6.179 -10.864
   80   2HD2  LEU   9          2HD       LEU   9  -7.484  -5.167  -9.730
   81   3HD2  LEU   9          3HD       LEU   9  -7.305  -4.675 -11.440
   82    H    GLU  10           H        GLU  10  -7.416  -1.036 -12.122
   83    HA   GLU  10           HA       GLU  10  -5.856   1.134 -13.004
   84   1HB   GLU  10          2HB       GLU  10  -8.703   0.246 -13.252
   85   2HB   GLU  10          3HB       GLU  10  -8.342   1.926 -13.688
   86   1HG   GLU  10          2HG       GLU  10  -6.647   1.242 -15.277
   87   2HG   GLU  10          3HG       GLU  10  -6.756  -0.445 -14.756
   88    H    GLU  11           H        GLU  11  -8.424   1.126 -10.470
   89    HA   GLU  11           HA       GLU  11  -8.339   3.976 -10.066
   90   1HB   GLU  11          2HB       GLU  11 -10.255   2.507  -9.373
   91   2HB   GLU  11          3HB       GLU  11  -9.200   1.746  -8.182
   92   1HG   GLU  11          2HG       GLU  11 -10.290   3.294  -6.895
   93   2HG   GLU  11          3HG       GLU  11  -8.817   4.148  -7.238
   94    H    ILE  12           H        ILE  12  -6.720   1.141  -8.360
   95    HA   ILE  12           HA       ILE  12  -5.410   2.790  -6.498
   96    HB   ILE  12           HB       ILE  12  -4.606   0.118  -7.731
   97   1HG1  ILE  12          2HG       ILE  12  -5.358  -0.113  -5.041
   98   2HG1  ILE  12          3HG       ILE  12  -6.495   1.064  -5.645
   99   1HG2  ILE  12          1HG       ILE  12  -3.470   1.540  -5.295
  100   2HG2  ILE  12          2HG       ILE  12  -3.220  -0.168  -5.702
  101   3HG2  ILE  12          3HG       ILE  12  -2.607   1.062  -6.787
  102   1HD1  ILE  12          1HD       ILE  12  -7.741  -0.621  -6.428
  103   2HD1  ILE  12          2HD       ILE  12  -6.429  -1.028  -7.534
  104   3HD1  ILE  12          3HD       ILE  12  -6.504  -1.813  -5.978
  105    H    LYS  13           H        LYS  13  -4.643   2.080  -9.877
  106    HA   LYS  13           HA       LYS  13  -1.997   3.285  -9.826
  107   1HB   LYS  13          2HB       LYS  13  -3.856   2.403 -12.058
  108   2HB   LYS  13          3HB       LYS  13  -2.216   3.000 -12.337
  109   1HG   LYS  13          2HG       LYS  13  -1.197   1.115 -11.451
  110   2HG   LYS  13          3HG       LYS  13  -2.466   0.855 -10.266
  111   1HD   LYS  13          2HD       LYS  13  -2.884  -0.936 -11.531
  112   2HD   LYS  13          3HD       LYS  13  -3.923   0.211 -12.386
  113   1HE   LYS  13          2HE       LYS  13  -2.074   0.603 -14.023
  114   2HE   LYS  13          3HE       LYS  13  -1.137  -0.655 -13.185
  115   1HZ   LYS  13          1HZ       LYS  13  -3.702  -0.987 -14.610
  116   2HZ   LYS  13          2HZ       LYS  13  -2.257  -1.694 -14.967
  117   3HZ   LYS  13          3HZ       LYS  13  -3.080  -2.141 -13.617
  118    H    LYS  14           H        LYS  14  -4.976   4.686  -9.511
  119    HA   LYS  14           HA       LYS  14  -4.172   7.258 -10.753
  120   1HB   LYS  14          2HB       LYS  14  -6.332   7.106 -11.461
  121   2HB   LYS  14          3HB       LYS  14  -6.708   5.811 -10.347
  122   1HG   LYS  14          2HG       LYS  14  -7.092   7.430  -8.513
  123   2HG   LYS  14          3HG       LYS  14  -6.766   8.774  -9.638
  124   1HD   LYS  14          2HD       LYS  14  -8.760   6.780 -10.545
  125   2HD   LYS  14          3HD       LYS  14  -9.242   7.735  -9.127
  126   1HE   LYS  14          2HE       LYS  14  -9.075   9.782 -10.282
  127   2HE   LYS  14          3HE       LYS  14  -8.031   9.092 -11.536
  128   1HZ   LYS  14          1HZ       LYS  14  -9.881   8.878 -12.707
  129   2HZ   LYS  14          2HZ       LYS  14 -10.305   7.639 -11.700
  130   3HZ   LYS  14          3HZ       LYS  14 -10.875   9.152 -11.416
  131    H    HIS  15           H        HIS  15  -4.095   5.611  -7.690
  132    HA   HIS  15           HA       HIS  15  -4.270   8.206  -6.262
  133   1HB   HIS  15          2HB       HIS  15  -4.354   5.306  -5.472
  134   2HB   HIS  15          3HB       HIS  15  -4.097   6.568  -4.287
  135    HD1  HIS  15           HD1      HIS  15  -6.199   8.481  -4.092
  136    HD2  HIS  15           HD2      HIS  15  -6.837   4.904  -6.220
  137    HE1  HIS  15           HE1      HIS  15  -8.709   8.224  -4.371
  138    H    ASN  16           H        ASN  16  -2.041   6.916  -8.146
  139    HA   ASN  16           HA       ASN  16   0.316   7.148  -6.392
  140   1HB   ASN  16          2HB       ASN  16   0.537   5.490  -8.074
  141   2HB   ASN  16          3HB       ASN  16  -0.143   6.535  -9.328
  142   1HD2  ASN  16          1HD       ASN  16   1.370   7.294 -10.698
  143   2HD2  ASN  16          2HD       ASN  16   3.057   7.598 -10.274
  144    H    HIS  17           H        HIS  17  -0.112   9.364  -5.670
  145    HA   HIS  17           HA       HIS  17   1.052  11.213  -7.682
  146   1HB   HIS  17          2HB       HIS  17  -1.413  11.822  -6.026
  147   2HB   HIS  17          3HB       HIS  17  -0.459  13.032  -6.893
  148    HD1  HIS  17           HD1      HIS  17  -0.497  12.821  -9.654
  149    HD2  HIS  17           HD2      HIS  17  -3.084  10.289  -7.491
  150    HE1  HIS  17           HE1      HIS  17  -2.194  11.897 -11.321
  151    H    SER  18           H        SER  18  -0.093  11.127  -4.317
  152    HA   SER  18           HA       SER  18   2.143  11.002  -2.817
  153   1HB   SER  18          2HB       SER  18   2.020  13.723  -4.076
  154   2HB   SER  18          3HB       SER  18   2.364  13.664  -2.341
  155    HG   SER  18           HG       SER  18   3.743  12.253  -4.369
  156    H    LYS  19           H        LYS  19  -0.711  13.036  -3.356
  157    HA   LYS  19           HA       LYS  19  -1.333  13.175  -0.477
  158   1HB   LYS  19          2HB       LYS  19  -3.271  14.492  -1.139
  159   2HB   LYS  19          3HB       LYS  19  -1.810  15.115  -1.908
  160   1HG   LYS  19          2HG       LYS  19  -2.394  14.092  -4.025
  161   2HG   LYS  19          3HG       LYS  19  -3.770  13.229  -3.318
  162   1HD   LYS  19          2HD       LYS  19  -5.031  15.179  -2.980
  163   2HD   LYS  19          3HD       LYS  19  -3.632  16.246  -3.118
  164   1HE   LYS  19          2HE       LYS  19  -4.915  14.669  -5.396
  165   2HE   LYS  19          3HE       LYS  19  -5.059  16.406  -5.094
  166   1HZ   LYS  19          1HZ       LYS  19  -2.815  14.927  -6.167
  167   2HZ   LYS  19          2HZ       LYS  19  -3.361  16.430  -6.549
  168   3HZ   LYS  19          3HZ       LYS  19  -2.456  16.209  -5.195
  169    H    SER  20           H        SER  20  -1.500  10.658  -2.441
  170    HA   SER  20           HA       SER  20  -3.670   9.357  -1.017
  171   1HB   SER  20          2HB       SER  20  -3.805  10.054  -3.967
  172   2HB   SER  20          3HB       SER  20  -4.414   8.498  -3.428
  173    HG   SER  20           HG       SER  20  -5.646   9.755  -1.825
  174    H    THR  21           H        THR  21  -0.667   9.216  -1.257
  175    HA   THR  21           HA       THR  21   0.416   7.233  -2.876
  176    HB   THR  21           HB       THR  21   0.877   7.918   0.044
  177    HG1  THR  21          1HG       THR  21   1.721   9.593  -0.820
  178   1HG2  THR  21          1HG       THR  21   3.296   7.048  -0.972
  179   2HG2  THR  21          2HG       THR  21   2.209   6.093   0.055
  180   3HG2  THR  21          3HG       THR  21   2.169   5.896  -1.707
  181    H    TRP  22           H        TRP  22  -1.172   5.692  -3.333
  182    HA   TRP  22           HA       TRP  22  -1.917   3.799  -1.173
  183   1HB   TRP  22          2HB       TRP  22  -2.848   4.389  -3.990
  184   2HB   TRP  22          3HB       TRP  22  -3.215   2.844  -3.245
  185    HD1  TRP  22           HD1      TRP  22  -3.310   5.619  -0.758
  186    HE1  TRP  22           HE1      TRP  22  -5.702   6.192  -0.139
  187    HE3  TRP  22           HE3      TRP  22  -5.665   2.865  -4.321
  188    HZ2  TRP  22           HZ2      TRP  22  -8.348   5.798  -1.324
  189    HZ3  TRP  22           HZ3      TRP  22  -8.148   2.986  -4.581
  190    HH2  TRP  22           HH2      TRP  22  -9.456   4.504  -3.154
  191    H    LEU  23           H        LEU  23  -1.838   1.459  -2.007
  192    HA   LEU  23           HA       LEU  23  -0.079   0.697  -4.070
  193   1HB   LEU  23          2HB       LEU  23   1.772  -0.226  -2.563
  194   2HB   LEU  23          3HB       LEU  23   1.799   1.469  -2.971
  195    HG   LEU  23           HG       LEU  23   0.544   1.790  -0.622
  196   1HD1  LEU  23          1HD       LEU  23   2.068  -0.652   0.082
  197   2HD1  LEU  23          2HD       LEU  23   0.715   0.146   0.912
  198   3HD1  LEU  23          3HD       LEU  23   0.411  -0.828  -0.530
  199   1HD2  LEU  23          1HD       LEU  23   3.120   1.261   0.274
  200   2HD2  LEU  23          2HD       LEU  23   3.386   1.533  -1.426
  201   3HD2  LEU  23          3HD       LEU  23   2.574   2.777  -0.463
  202    H    ILE  24           H        ILE  24   0.399  -1.748  -3.802
  203    HA   ILE  24           HA       ILE  24  -2.041  -2.917  -2.551
  204    HB   ILE  24           HB       ILE  24  -0.324  -3.863  -4.892
  205   1HG1  ILE  24          2HG       ILE  24  -3.218  -3.215  -5.172
  206   2HG1  ILE  24          3HG       ILE  24  -2.163  -1.846  -4.945
  207   1HG2  ILE  24          1HG       ILE  24  -2.015  -5.606  -5.193
  208   2HG2  ILE  24          2HG       ILE  24  -1.271  -5.759  -3.599
  209   3HG2  ILE  24          3HG       ILE  24  -2.887  -5.027  -3.749
  210   1HD1  ILE  24          1HD       ILE  24  -2.535  -2.294  -7.316
  211   2HD1  ILE  24          2HD       ILE  24  -0.826  -2.499  -6.893
  212   3HD1  ILE  24          3HD       ILE  24  -1.860  -3.931  -7.131
  213    H    LEU  25           H        LEU  25  -1.391  -3.791  -0.592
  214    HA   LEU  25           HA       LEU  25   1.204  -5.246  -0.481
  215   1HB   LEU  25          2HB       LEU  25  -0.258  -3.685   1.628
  216   2HB   LEU  25          3HB       LEU  25   0.876  -4.957   2.065
  217    HG   LEU  25           HG       LEU  25   1.563  -2.689   0.182
  218   1HD1  LEU  25          1HD       LEU  25   2.032  -2.947   3.166
  219   2HD1  LEU  25          2HD       LEU  25   2.723  -1.672   2.135
  220   3HD1  LEU  25          3HD       LEU  25   0.956  -1.767   2.358
  221   1HD2  LEU  25          1HD       LEU  25   3.874  -3.428   1.397
  222   2HD2  LEU  25          2HD       LEU  25   3.043  -4.988   1.312
  223   3HD2  LEU  25          3HD       LEU  25   3.305  -3.978  -0.156
  224    H    HIS  26           H        HIS  26   0.379  -7.080  -1.310
  225    HA   HIS  26           HA       HIS  26  -0.251  -9.210  -1.116
  226   1HB   HIS  26          2HB       HIS  26  -1.511  -8.614   1.594
  227   2HB   HIS  26          3HB       HIS  26  -0.996 -10.160   0.952
  228    HD1  HIS  26           HD1      HIS  26   1.837 -10.371   0.673
  229    HD2  HIS  26           HD2      HIS  26   0.235  -7.184   2.922
  230    HE1  HIS  26           HE1      HIS  26   3.736  -9.431   2.067
  231    H    HIS  27           H        HIS  27  -1.673  -8.580  -2.922
  232    HA   HIS  27           HA       HIS  27  -3.592  -8.034  -3.955
  233   1HB   HIS  27          2HB       HIS  27  -4.688 -10.321  -2.334
  234   2HB   HIS  27          3HB       HIS  27  -5.159  -9.775  -3.962
  235    HD1  HIS  27           HD1      HIS  27  -3.736 -10.711  -5.990
  236    HD2  HIS  27           HD2      HIS  27  -2.343 -11.687  -2.119
  237    HE1  HIS  27           HE1      HIS  27  -1.839 -12.398  -6.278
  238    H    LYS  28           H        LYS  28  -3.500  -6.174  -1.899
  239    HA   LYS  28           HA       LYS  28  -6.313  -5.751  -1.142
  240   1HB   LYS  28          2HB       LYS  28  -4.028  -6.370   0.697
  241   2HB   LYS  28          3HB       LYS  28  -5.078  -5.017   1.151
  242   1HG   LYS  28          2HG       LYS  28  -6.940  -6.302   1.445
  243   2HG   LYS  28          3HG       LYS  28  -6.433  -7.549   0.315
  244   1HD   LYS  28          2HD       LYS  28  -4.545  -7.553   2.504
  245   2HD   LYS  28          3HD       LYS  28  -6.179  -7.512   3.173
  246   1HE   LYS  28          2HE       LYS  28  -6.306  -9.689   2.874
  247   2HE   LYS  28          3HE       LYS  28  -6.470  -9.364   1.147
  248   1HZ   LYS  28          1HZ       LYS  28  -4.615 -10.937   1.977
  249   2HZ   LYS  28          2HZ       LYS  28  -4.281  -9.837   0.799
  250   3HZ   LYS  28          3HZ       LYS  28  -3.791  -9.541   2.313
  251    H    VAL  29           H        VAL  29  -6.533  -3.397  -0.336
  252    HA   VAL  29           HA       VAL  29  -4.597  -1.745  -1.894
  253    HB   VAL  29           HB       VAL  29  -7.501  -1.740  -1.322
  254   1HG1  VAL  29          1HG       VAL  29  -5.927   0.773  -1.510
  255   2HG1  VAL  29          2HG       VAL  29  -7.567   0.709  -2.194
  256   3HG1  VAL  29          3HG       VAL  29  -7.326   0.260  -0.513
  257   1HG2  VAL  29          1HG       VAL  29  -7.696  -2.193  -3.437
  258   2HG2  VAL  29          2HG       VAL  29  -7.178  -0.565  -3.802
  259   3HG2  VAL  29          3HG       VAL  29  -5.958  -1.850  -3.729
  260    H    TYR  30           H        TYR  30  -3.306  -0.501  -0.667
  261    HA   TYR  30           HA       TYR  30  -3.949   0.035   2.144
  262   1HB   TYR  30          2HB       TYR  30  -1.503  -0.848   0.609
  263   2HB   TYR  30          3HB       TYR  30  -1.351   0.109   2.058
  264    HD1  TYR  30           HD1      TYR  30  -1.069  -0.965   4.056
  265    HD2  TYR  30           HD2      TYR  30  -3.040  -3.051   0.859
  266    HE1  TYR  30           HE1      TYR  30  -1.303  -2.966   5.489
  267    HE2  TYR  30           HE2      TYR  30  -3.161  -5.093   2.301
  268    HH   TYR  30           HH       TYR  30  -2.458  -4.967   5.755
  269    H    ASP  31           H        ASP  31  -3.092   2.045   2.898
  270    HA   ASP  31           HA       ASP  31  -2.456   4.107   0.884
  271   1HB   ASP  31          2HB       ASP  31  -4.855   4.033   1.309
  272   2HB   ASP  31          3HB       ASP  31  -4.590   4.262   3.049
  273    H    LEU  32           H        LEU  32  -0.578   4.829   1.568
  274    HA   LEU  32           HA       LEU  32  -0.163   5.061   4.507
  275   1HB   LEU  32          2HB       LEU  32   2.307   4.990   3.138
  276   2HB   LEU  32          3HB       LEU  32   1.696   3.948   4.416
  277    HG   LEU  32           HG       LEU  32   1.395   3.472   1.444
  278   1HD1  LEU  32          1HD       LEU  32   3.288   2.569   3.621
  279   2HD1  LEU  32          2HD       LEU  32   2.895   1.463   2.302
  280   3HD1  LEU  32          3HD       LEU  32   3.615   3.026   1.941
  281   1HD2  LEU  32          1HD       LEU  32  -0.154   2.460   3.652
  282   2HD2  LEU  32          2HD       LEU  32  -0.239   2.052   1.943
  283   3HD2  LEU  32          3HD       LEU  32   0.835   1.132   3.013
  284    H    THR  33           H        THR  33  -1.343   6.927   2.381
  285    HA   THR  33           HA       THR  33   0.343   9.107   1.897
  286    HB   THR  33           HB       THR  33  -2.640   8.782   2.509
  287    HG1  THR  33          1HG       THR  33  -2.160   7.810   0.683
  288   1HG2  THR  33          1HG       THR  33  -1.101  11.163   1.462
  289   2HG2  THR  33          2HG       THR  33  -2.862  10.916   1.259
  290   3HG2  THR  33          3HG       THR  33  -2.191  11.083   2.882
  291    H    LYS  34           H        LYS  34  -1.814   8.448   4.735
  292    HA   LYS  34           HA       LYS  34  -0.770  10.827   6.053
  293   1HB   LYS  34          2HB       LYS  34  -3.100   9.800   6.353
  294   2HB   LYS  34          3HB       LYS  34  -2.332   8.567   7.360
  295   1HG   LYS  34          2HG       LYS  34  -1.440  11.243   8.169
  296   2HG   LYS  34          3HG       LYS  34  -3.201  11.199   8.085
  297   1HD   LYS  34          2HD       LYS  34  -3.257   9.224   9.548
  298   2HD   LYS  34          3HD       LYS  34  -1.476   9.203   9.611
  299   1HE   LYS  34          2HE       LYS  34  -1.429  11.399  10.651
  300   2HE   LYS  34          3HE       LYS  34  -3.188  11.566  10.500
  301   1HZ   LYS  34          1HZ       LYS  34  -3.502   9.864  12.067
  302   2HZ   LYS  34          2HZ       LYS  34  -1.925   9.379  12.014
  303   3HZ   LYS  34          3HZ       LYS  34  -2.323  10.815  12.715
  304    H    PHE  35           H        PHE  35   0.579   7.809   5.457
  305    HA   PHE  35           HA       PHE  35   2.032   7.609   7.991
  306   1HB   PHE  35          2HB       PHE  35   0.775   5.661   7.122
  307   2HB   PHE  35          3HB       PHE  35   1.722   5.718   5.660
  308    HD1  PHE  35          1HD       PHE  35   2.262   5.450   9.362
  309    HD2  PHE  35          2HD       PHE  35   3.591   4.319   5.428
  310    HE1  PHE  35          1HE       PHE  35   4.111   4.111  10.361
  311    HE2  PHE  35          2HE       PHE  35   5.141   2.683   6.441
  312    HZ   PHE  35           HZ       PHE  35   5.582   2.771   8.896
  313    H    LEU  36           H        LEU  36   2.309   8.729   4.801
  314    HA   LEU  36           HA       LEU  36   4.959   8.139   4.088
  315   1HB   LEU  36          2HB       LEU  36   3.146  10.582   3.708
  316   2HB   LEU  36          3HB       LEU  36   4.822  10.645   3.198
  317    HG   LEU  36           HG       LEU  36   2.658   8.799   2.128
  318   1HD1  LEU  36          1HD       LEU  36   4.144  11.218   1.122
  319   2HD1  LEU  36          2HD       LEU  36   3.548  10.023  -0.026
  320   3HD1  LEU  36          3HD       LEU  36   2.410  10.837   1.077
  321   1HD2  LEU  36          1HD       LEU  36   4.733   8.301   0.497
  322   2HD2  LEU  36          2HD       LEU  36   5.639   8.588   1.988
  323   3HD2  LEU  36          3HD       LEU  36   4.347   7.357   1.940
  324    H    GLU  37           H        GLU  37   3.863  10.639   6.362
  325    HA   GLU  37           HA       GLU  37   6.689  11.193   7.031
  326   1HB   GLU  37          2HB       GLU  37   4.042  12.535   7.740
  327   2HB   GLU  37          3HB       GLU  37   5.584  13.052   8.428
  328   1HG   GLU  37          2HG       GLU  37   4.934  12.992   5.449
  329   2HG   GLU  37          3HG       GLU  37   4.910  14.423   6.480
  330    H    GLU  38           H        GLU  38   5.075   8.679   7.823
  331    HA   GLU  38           HA       GLU  38   5.576   8.777  10.760
  332   1HB   GLU  38          2HB       GLU  38   3.684   7.185   9.076
  333   2HB   GLU  38          3HB       GLU  38   3.965   6.821  10.768
  334   1HG   GLU  38          2HG       GLU  38   3.136   9.199  11.250
  335   2HG   GLU  38          3HG       GLU  38   2.579   9.232   9.574
  336    H    HIS  39           HN       HIS  39   6.391   7.212   7.766
  337    HA   HIS  39           HA       HIS  39   7.196   4.704   8.724
  338   1HB   HIS  39          2HB       HIS  39   7.069   5.929   6.272
  339   2HB   HIS  39          3HB       HIS  39   8.771   6.100   6.625
  340    HD1  HIS  39           HND      HIS  39   9.018   4.713   4.324
  341    HD2  HIS  39           HD       HIS  39   7.386   2.590   7.536
  342    HE1  HIS  39           HE       HIS  39   9.415   2.334   3.806
  343    HA   PRO  40           HA       PRO  40  10.713   5.692  11.109
  344   1HB   PRO  40          2HB       PRO  40  12.598   3.698  10.586
  345   2HB   PRO  40          3HB       PRO  40  11.117   3.468  11.562
  346   1HG   PRO  40          2HG       PRO  40  11.673   2.552   8.782
  347   2HG   PRO  40          3HG       PRO  40  10.527   1.939  10.014
  348   1HD   PRO  40          2HD       PRO  40   9.974   3.594   7.794
  349   2HD   PRO  40          3HD       PRO  40   8.833   3.115   9.108
  350    H    GLY  41           H        GLY  41  11.479   5.083   7.752
  351   1HA   GLY  41          2HA       GLY  41  12.983   7.512   7.490
  352   2HA   GLY  41          3HA       GLY  41  14.056   6.105   7.544
  353    H    GLY  42           H        GLY  42  10.705   5.726   6.047
  354   1HA   GLY  42          2HA       GLY  42  12.063   6.349   3.472
  355   2HA   GLY  42          3HA       GLY  42  11.076   4.901   3.634
  356    H    GLU  43           H        GLU  43  10.926   7.635   2.306
  357    HA   GLU  43           HA       GLU  43   7.951   7.926   2.721
  358   1HB   GLU  43          2HB       GLU  43   8.419  10.362   2.117
  359   2HB   GLU  43          3HB       GLU  43   8.797   9.790   3.737
  360   1HG   GLU  43          2HG       GLU  43  10.881  10.218   1.563
  361   2HG   GLU  43          3HG       GLU  43  10.469  11.385   2.800
  362    H    GLU  44           H        GLU  44  10.569   8.579   0.700
  363    HA   GLU  44           HA       GLU  44   9.203   8.770  -1.879
  364   1HB   GLU  44          2HB       GLU  44  11.446   9.669  -1.724
  365   2HB   GLU  44          3HB       GLU  44  12.133   8.060  -1.415
  366   1HG   GLU  44          2HG       GLU  44  11.495   7.284  -3.645
  367   2HG   GLU  44          3HG       GLU  44  10.538   8.744  -3.930
  368    H    VAL  45           H        VAL  45  10.730   5.992  -0.208
  369    HA   VAL  45           HA       VAL  45  10.340   4.116  -2.309
  370    HB   VAL  45           HB       VAL  45   9.962   2.518  -0.270
  371   1HG1  VAL  45          1HG       VAL  45  12.444   2.517   0.122
  372   2HG1  VAL  45          2HG       VAL  45  11.977   2.522  -1.589
  373   3HG1  VAL  45          3HG       VAL  45  12.543   4.023  -0.828
  374   1HG2  VAL  45          1HG       VAL  45   9.657   4.696   1.272
  375   2HG2  VAL  45          2HG       VAL  45  10.434   3.219   1.854
  376   3HG2  VAL  45          3HG       VAL  45  11.430   4.587   1.324
  377    H    LEU  46           H        LEU  46   7.946   5.463   0.168
  378    HA   LEU  46           HA       LEU  46   6.039   3.509  -0.716
  379   1HB   LEU  46          2HB       LEU  46   5.428   6.233   0.368
  380   2HB   LEU  46          3HB       LEU  46   4.482   4.751   0.513
  381    HG   LEU  46           HG       LEU  46   7.039   5.571   1.973
  382   1HD1  LEU  46          1HD       LEU  46   5.343   4.415   3.810
  383   2HD1  LEU  46          2HD       LEU  46   5.421   6.134   3.425
  384   3HD1  LEU  46          3HD       LEU  46   4.230   5.111   2.631
  385   1HD2  LEU  46          1HD       LEU  46   6.854   3.143   2.993
  386   2HD2  LEU  46          2HD       LEU  46   6.126   2.754   1.426
  387   3HD2  LEU  46          3HD       LEU  46   7.766   3.424   1.527
  388    H    ARG  47           H        ARG  47   7.238   6.431  -2.188
  389    HA   ARG  47           HA       ARG  47   5.025   6.660  -4.071
  390   1HB   ARG  47          2HB       ARG  47   6.396   8.592  -3.136
  391   2HB   ARG  47          3HB       ARG  47   7.717   8.056  -4.195
  392   1HG   ARG  47          2HG       ARG  47   6.234   8.317  -6.171
  393   2HG   ARG  47          3HG       ARG  47   4.897   8.771  -5.105
  394   1HD   ARG  47          2HD       ARG  47   5.636  10.879  -5.679
  395   2HD   ARG  47          3HD       ARG  47   6.623  10.608  -4.245
  396    HE   ARG  47           HE       ARG  47   8.511  10.574  -5.553
  397   1HH1  ARG  47          2HH       ARG  47   5.703  10.005  -7.604
  398   2HH1  ARG  47          1HH       ARG  47   6.539  10.165  -9.107
  399   1HH2  ARG  47          2HH       ARG  47   9.694  10.756  -7.546
  400   2HH2  ARG  47          1HH       ARG  47   8.881  10.619  -9.064
  401    H    GLU  48           H        GLU  48   8.150   4.926  -3.946
  402    HA   GLU  48           HA       GLU  48   8.438   4.738  -6.811
  403   1HB   GLU  48          2HB       GLU  48   9.602   3.380  -4.371
  404   2HB   GLU  48          3HB       GLU  48   9.758   2.605  -5.930
  405   1HG   GLU  48          2HG       GLU  48  10.505   5.261  -6.461
  406   2HG   GLU  48          3HG       GLU  48  11.185   4.930  -4.865
  407    H    GLN  49           H        GLN  49   6.740   2.773  -4.353
  408    HA   GLN  49           HA       GLN  49   5.738   0.989  -6.511
  409   1HB   GLN  49          2HB       GLN  49   5.814   0.812  -3.470
  410   2HB   GLN  49          3HB       GLN  49   5.012  -0.347  -4.552
  411   1HG   GLN  49          2HG       GLN  49   7.120  -1.175  -3.886
  412   2HG   GLN  49          3HG       GLN  49   7.058  -0.914  -5.643
  413   1HE2  GLN  49          1HE       GLN  49   9.196  -0.515  -6.235
  414   2HE2  GLN  49          2HE       GLN  49  10.201   0.624  -5.361
  415    H    ALA  50           H        ALA  50   4.887   3.816  -5.078
  416    HA   ALA  50           HA       ALA  50   2.297   3.625  -4.236
  417   1HB   ALA  50          1HB       ALA  50   3.835   5.705  -5.696
  418   2HB   ALA  50          2HB       ALA  50   2.086   5.945  -5.524
  419   3HB   ALA  50          3HB       ALA  50   3.084   5.759  -4.073
  420    H    GLY  51           H        GLY  51   0.318   3.399  -5.104
  421   1HA   GLY  51          2HA       GLY  51  -1.320   2.740  -6.509
  422   2HA   GLY  51          3HA       GLY  51  -0.582   3.721  -7.775
  423    H    GLY  52           H        GLY  52   1.198   1.093  -6.177
  424   1HA   GLY  52          2HA       GLY  52   0.927  -0.704  -8.492
  425   2HA   GLY  52          3HA       GLY  52   2.509   0.007  -8.066
  426    H    ASP  53           H        ASP  53   2.808  -2.531  -7.854
  427    HA   ASP  53           HA       ASP  53   1.679  -3.579  -5.352
  428   1HB   ASP  53          2HB       ASP  53   2.197  -4.759  -7.807
  429   2HB   ASP  53          3HB       ASP  53   3.541  -5.326  -6.804
  430    H    ALA  54           H        ALA  54   2.679  -2.732  -3.614
  431    HA   ALA  54           HA       ALA  54   5.647  -2.642  -3.690
  432   1HB   ALA  54          1HB       ALA  54   4.000  -0.794  -2.662
  433   2HB   ALA  54          2HB       ALA  54   4.123  -1.847  -1.241
  434   3HB   ALA  54          3HB       ALA  54   5.592  -1.163  -1.972
  435    H    THR  55           H        THR  55   3.174  -4.855  -2.922
  436    HA   THR  55           HA       THR  55   4.078  -5.867  -0.463
  437    HB   THR  55           HB       THR  55   1.997  -6.351  -2.113
  438    HG1  THR  55          1HG       THR  55   2.578  -6.941   0.259
  439   1HG2  THR  55          1HG       THR  55   1.993  -8.678  -2.760
  440   2HG2  THR  55          2HG       THR  55   3.327  -7.853  -3.586
  441   3HG2  THR  55          3HG       THR  55   3.655  -8.880  -2.159
  442    H    GLU  56           H        GLU  56   5.203  -6.552  -3.745
  443    HA   GLU  56           HA       GLU  56   6.786  -8.774  -3.071
  444   1HB   GLU  56          2HB       GLU  56   6.463  -6.984  -5.359
  445   2HB   GLU  56          3HB       GLU  56   8.180  -7.267  -5.068
  446   1HG   GLU  56          2HG       GLU  56   7.437  -9.803  -4.840
  447   2HG   GLU  56          3HG       GLU  56   6.008  -9.262  -5.729
  448    H    ASN  57           H        ASN  57   7.442  -5.303  -2.758
  449    HA   ASN  57           HA       ASN  57  10.285  -5.649  -2.141
  450   1HB   ASN  57          2HB       ASN  57   8.302  -3.356  -2.061
  451   2HB   ASN  57          3HB       ASN  57   9.929  -3.210  -1.372
  452   1HD2  ASN  57          1HD       ASN  57   8.095  -3.671  -4.426
  453   2HD2  ASN  57          2HD       ASN  57   9.478  -3.253  -5.420
  454    H    PHE  58           H        PHE  58   7.454  -4.448  -0.322
  455    HA   PHE  58           HA       PHE  58   8.334  -4.451   2.266
  456   1HB   PHE  58          2HB       PHE  58   6.023  -4.038   1.295
  457   2HB   PHE  58          3HB       PHE  58   5.709  -5.758   1.495
  458    HD1  PHE  58          1HD       PHE  58   5.253  -2.606   2.958
  459    HD2  PHE  58          2HD       PHE  58   6.346  -6.644   4.054
  460    HE1  PHE  58          1HE       PHE  58   4.568  -2.211   5.299
  461    HE2  PHE  58          2HE       PHE  58   5.822  -6.113   6.389
  462    HZ   PHE  58           HZ       PHE  58   4.906  -3.899   7.017
  463    H    GLU  59           H        GLU  59   7.441  -7.487   0.510
  464    HA   GLU  59           HA       GLU  59   8.114  -9.179   2.791
  465   1HB   GLU  59          2HB       GLU  59   7.185  -9.506  -0.048
  466   2HB   GLU  59          3HB       GLU  59   8.018 -10.867   0.671
  467   1HG   GLU  59          2HG       GLU  59   5.929  -9.617   2.403
  468   2HG   GLU  59          3HG       GLU  59   5.341 -10.373   0.921
  469    H    ASP  60           H        ASP  60   9.739  -8.233  -0.293
  470    HA   ASP  60           HA       ASP  60  11.859 -10.032  -0.253
  471   1HB   ASP  60          2HB       ASP  60  11.211  -7.852  -1.828
  472   2HB   ASP  60          3HB       ASP  60  12.587  -7.215  -0.975
  473    H    VAL  61           H        VAL  61  11.583  -6.854   1.269
  474    HA   VAL  61           HA       VAL  61  14.105  -7.124   2.670
  475    HB   VAL  61           HB       VAL  61  13.596  -4.931   3.631
  476   1HG1  VAL  61          1HG       VAL  61  13.012  -5.209   0.676
  477   2HG1  VAL  61          2HG       VAL  61  12.769  -3.651   1.461
  478   3HG1  VAL  61          3HG       VAL  61  14.357  -4.420   1.513
  479   1HG2  VAL  61          1HG       VAL  61  10.774  -5.383   2.622
  480   2HG2  VAL  61          2HG       VAL  61  11.305  -5.201   4.304
  481   3HG2  VAL  61          3HG       VAL  61  11.372  -3.824   3.207
  482    H    GLY  62           H        GLY  62  10.700  -7.612   3.575
  483   1HA   GLY  62          2HA       GLY  62  10.577  -9.742   4.822
  484   2HA   GLY  62          3HA       GLY  62  11.812  -9.077   5.919
  485    H    HIS  63           HN       HIS  63  11.271  -6.599   6.287
  486    HA   HIS  63           HA       HIS  63  10.361  -5.325   7.806
  487   1HB   HIS  63          2HB       HIS  63   7.966  -6.187   6.259
  488   2HB   HIS  63          3HB       HIS  63   7.668  -5.293   7.736
  489    HD1  HIS  63           HND      HIS  63   8.737  -4.839   4.211
  490    HD2  HIS  63           HD       HIS  63   8.245  -2.655   7.747
  491    HE1  HIS  63           HE       HIS  63   8.650  -2.422   3.509
  492    H    SER  64           H        SER  64   9.780  -5.421  10.048
  493    HA   SER  64           HA       SER  64   9.739  -7.931  11.262
  494   1HB   SER  64          2HB       SER  64   8.620  -5.295  12.287
  495   2HB   SER  64          3HB       SER  64   9.197  -6.652  13.283
  496    HG   SER  64           HG       SER  64  11.281  -6.314  12.277
  497    H    THR  65           H        THR  65   7.972  -8.874  12.703
  498    HA   THR  65           HA       THR  65   5.651  -9.339  11.096
  499    HB   THR  65           HB       THR  65   6.549 -10.108  13.895
  500    HG1  THR  65          1HG       THR  65   7.666 -11.160  12.319
  501   1HG2  THR  65          1HG       THR  65   4.181 -10.186  14.046
  502   2HG2  THR  65          2HG       THR  65   4.016 -10.829  12.392
  503   3HG2  THR  65          3HG       THR  65   4.704 -11.844  13.686
  504    H    ASP  66           H        ASP  66   6.239  -7.413  14.110
  505    HA   ASP  66           HA       ASP  66   3.563  -6.585  14.425
  506   1HB   ASP  66          2HB       ASP  66   6.089  -6.101  15.652
  507   2HB   ASP  66          3HB       ASP  66   5.468  -4.513  15.214
  508    H    ALA  67           H        ALA  67   6.082  -5.452  12.300
  509    HA   ALA  67           HA       ALA  67   4.887  -2.941  11.336
  510   1HB   ALA  67          1HB       ALA  67   7.263  -3.240  11.230
  511   2HB   ALA  67          2HB       ALA  67   7.097  -4.727  10.280
  512   3HB   ALA  67          3HB       ALA  67   6.594  -3.183   9.583
  513    H    ARG  68           H        ARG  68   4.540  -6.492  10.567
  514    HA   ARG  68           HA       ARG  68   2.850  -5.843   8.240
  515   1HB   ARG  68          2HB       ARG  68   3.842  -8.351   9.599
  516   2HB   ARG  68          3HB       ARG  68   2.321  -8.467   8.730
  517   1HG   ARG  68          2HG       ARG  68   3.294  -8.417   6.718
  518   2HG   ARG  68          3HG       ARG  68   4.182  -6.991   7.132
  519   1HD   ARG  68          2HD       ARG  68   6.083  -8.194   7.056
  520   2HD   ARG  68          3HD       ARG  68   5.567  -9.015   8.528
  521    HE   ARG  68           HE       ARG  68   4.343 -10.148   6.173
  522   1HH1  ARG  68          2HH       ARG  68   7.497  -9.944   7.735
  523   2HH1  ARG  68          1HH       ARG  68   7.973 -11.555   7.324
  524   1HH2  ARG  68          2HH       ARG  68   5.177 -12.082   5.234
  525   2HH2  ARG  68          1HH       ARG  68   6.724 -12.593   5.566
  526    H    GLU  69           H        GLU  69   2.307  -6.008  11.680
  527    HA   GLU  69           HA       GLU  69  -0.599  -6.595  11.203
  528   1HB   GLU  69          2HB       GLU  69   1.076  -6.220  13.732
  529   2HB   GLU  69          3HB       GLU  69  -0.679  -6.414  13.715
  530   1HG   GLU  69          2HG       GLU  69   0.107  -8.518  12.109
  531   2HG   GLU  69          3HG       GLU  69   1.461  -8.433  13.235
  532    H    LEU  70           H        LEU  70   1.460  -3.781  12.263
  533    HA   LEU  70           HA       LEU  70  -0.809  -2.234  12.906
  534   1HB   LEU  70          2HB       LEU  70   0.717  -0.647  13.339
  535   2HB   LEU  70          3HB       LEU  70   1.778  -2.010  13.296
  536    HG   LEU  70           HG       LEU  70   2.855  -0.219  12.311
  537   1HD1  LEU  70          1HD       LEU  70   2.356  -1.765   9.832
  538   2HD1  LEU  70          2HD       LEU  70   3.827  -1.389  10.721
  539   3HD1  LEU  70          3HD       LEU  70   2.767  -2.704  11.255
  540   1HD2  LEU  70          1HD       LEU  70   0.496   0.657  11.497
  541   2HD2  LEU  70          2HD       LEU  70   2.037   1.211  10.801
  542   3HD2  LEU  70          3HD       LEU  70   1.068  -0.011   9.953
  543    H    SER  71           H        SER  71   0.806  -2.953   9.929
  544    HA   SER  71           HA       SER  71  -0.320  -1.166   8.115
  545   1HB   SER  71          2HB       SER  71  -0.045  -4.081   7.369
  546   2HB   SER  71          3HB       SER  71   0.394  -2.612   6.468
  547    HG   SER  71           HG       SER  71   2.276  -3.544   7.322
  548    H    LYS  72           H        LYS  72  -1.978  -3.619   9.942
  549    HA   LYS  72           HA       LYS  72  -4.149  -4.093   8.182
  550   1HB   LYS  72          2HB       LYS  72  -3.410  -5.280  10.386
  551   2HB   LYS  72          3HB       LYS  72  -4.268  -3.972  11.219
  552   1HG   LYS  72          2HG       LYS  72  -6.094  -5.346  11.006
  553   2HG   LYS  72          3HG       LYS  72  -6.156  -4.730   9.352
  554   1HD   LYS  72          2HD       LYS  72  -4.366  -6.699   8.944
  555   2HD   LYS  72          3HD       LYS  72  -5.185  -7.382  10.370
  556   1HE   LYS  72          2HE       LYS  72  -7.365  -7.152   9.215
  557   2HE   LYS  72          3HE       LYS  72  -6.568  -6.342   7.857
  558   1HZ   LYS  72          1HZ       LYS  72  -6.303  -8.327   6.983
  559   2HZ   LYS  72          2HZ       LYS  72  -5.242  -8.713   8.182
  560   3HZ   LYS  72          3HZ       LYS  72  -6.833  -9.104   8.335
  561    H    THR  73           H        THR  73  -3.289  -1.207  10.039
  562    HA   THR  73           HA       THR  73  -5.960  -0.050   9.809
  563    HB   THR  73           HB       THR  73  -3.627   0.197  11.482
  564    HG1  THR  73          1HG       THR  73  -5.242   1.393  12.674
  565   1HG2  THR  73          1HG       THR  73  -2.959   2.226  10.311
  566   2HG2  THR  73          2HG       THR  73  -4.584   2.915  10.534
  567   3HG2  THR  73          3HG       THR  73  -3.529   2.563  11.921
  568    H    PHE  74           H        PHE  74  -3.376  -0.455   7.701
  569    HA   PHE  74           HA       PHE  74  -3.569   2.194   6.373
  570   1HB   PHE  74          2HB       PHE  74  -1.840  -0.269   5.962
  571   2HB   PHE  74          3HB       PHE  74  -1.818   1.147   4.913
  572    HD1  PHE  74          1HD       PHE  74   0.520   1.287   5.232
  573    HD2  PHE  74          2HD       PHE  74  -2.138   1.606   8.573
  574    HE1  PHE  74          1HE       PHE  74   2.334   2.175   6.610
  575    HE2  PHE  74          2HE       PHE  74  -0.342   2.491   9.969
  576    HZ   PHE  74           HZ       PHE  74   1.890   2.728   9.010
  577    H    ILE  75           H        ILE  75  -4.685  -1.153   6.109
  578    HA   ILE  75           HA       ILE  75  -5.307  -1.074   3.363
  579    HB   ILE  75           HB       ILE  75  -5.515  -2.876   5.477
  580   1HG1  ILE  75          2HG       ILE  75  -6.728  -3.208   2.728
  581   2HG1  ILE  75          3HG       ILE  75  -5.004  -3.154   3.028
  582   1HG2  ILE  75          1HG       ILE  75  -7.798  -2.141   6.068
  583   2HG2  ILE  75          2HG       ILE  75  -8.318  -2.416   4.372
  584   3HG2  ILE  75          3HG       ILE  75  -7.806  -3.772   5.387
  585   1HD1  ILE  75          1HD       ILE  75  -5.672  -5.003   4.911
  586   2HD1  ILE  75          2HD       ILE  75  -6.951  -5.305   3.707
  587   3HD1  ILE  75          3HD       ILE  75  -5.226  -5.410   3.273
  588    H    ILE  76           H        ILE  76  -6.742   0.093   2.292
  589    HA   ILE  76           HA       ILE  76  -8.951   1.390   3.833
  590    HB   ILE  76           HB       ILE  76  -8.920   3.206   2.210
  591   1HG1  ILE  76          2HG       ILE  76  -6.652   3.323   0.832
  592   2HG1  ILE  76          3HG       ILE  76  -6.678   1.603   0.927
  593   1HG2  ILE  76          1HG       ILE  76  -6.164   2.756   3.352
  594   2HG2  ILE  76          2HG       ILE  76  -6.972   4.305   3.029
  595   3HG2  ILE  76          3HG       ILE  76  -7.562   3.236   4.328
  596   1HD1  ILE  76          1HD       ILE  76  -8.936   1.743  -0.210
  597   2HD1  ILE  76          2HD       ILE  76  -8.836   3.520  -0.076
  598   3HD1  ILE  76          3HD       ILE  76  -7.688   2.642  -1.100
  599    H    GLY  77           H        GLY  77  -8.291  -1.138   1.723
  600   1HA   GLY  77          2HA       GLY  77 -10.977  -1.688   1.138
  601   2HA   GLY  77          3HA       GLY  77 -10.223  -0.904  -0.277
  602    H    GLU  78           H        GLU  78 -10.814  -3.259  -1.065
  603    HA   GLU  78           HA       GLU  78  -8.371  -4.885  -0.801
  604   1HB   GLU  78          2HB       GLU  78 -11.161  -6.053  -1.091
  605   2HB   GLU  78          3HB       GLU  78  -9.633  -6.907  -0.866
  606   1HG   GLU  78          2HG       GLU  78  -9.731  -5.213   1.372
  607   2HG   GLU  78          3HG       GLU  78 -11.426  -5.611   1.116
  608    H    LEU  79           H        LEU  79  -7.994  -6.102  -2.826
  609    HA   LEU  79           HA       LEU  79  -8.498  -4.486  -5.148
  610   1HB   LEU  79          2HB       LEU  79  -7.100  -7.081  -4.469
  611   2HB   LEU  79          3HB       LEU  79  -7.597  -6.821  -6.145
  612    HG   LEU  79           HG       LEU  79  -6.408  -4.792  -6.320
  613   1HD1  LEU  79          1HD       LEU  79  -6.721  -3.988  -3.955
  614   2HD1  LEU  79          2HD       LEU  79  -5.397  -5.047  -3.500
  615   3HD1  LEU  79          3HD       LEU  79  -5.138  -3.722  -4.643
  616   1HD2  LEU  79          1HD       LEU  79  -4.349  -6.400  -4.841
  617   2HD2  LEU  79          2HD       LEU  79  -5.153  -7.184  -6.195
  618   3HD2  LEU  79          3HD       LEU  79  -4.233  -5.685  -6.436
  619    H    HIS  80           H        HIS  80  -9.901  -4.774  -6.763
  620    HA   HIS  80           HA       HIS  80 -12.374  -5.819  -6.319
  621   1HB   HIS  80          2HB       HIS  80 -10.943  -4.700  -8.569
  622   2HB   HIS  80          3HB       HIS  80 -11.872  -6.062  -9.148
  623    HD1  HIS  80           HD1      HIS  80 -13.879  -4.858 -10.293
  624    HD2  HIS  80           HD2      HIS  80 -12.936  -3.446  -6.455
  625    HE1  HIS  80           HE1      HIS  80 -15.707  -3.158  -9.663
  626    HA   PRO  81           HA       PRO  81 -12.415 -10.059  -6.833
  627   1HB   PRO  81          2HB       PRO  81 -14.864 -10.584  -8.067
  628   2HB   PRO  81          3HB       PRO  81 -14.691 -10.003  -6.395
  629   1HG   PRO  81          2HG       PRO  81 -15.508  -8.442  -8.773
  630   2HG   PRO  81          3HG       PRO  81 -15.958  -8.255  -7.047
  631   1HD   PRO  81          2HD       PRO  81 -14.033  -6.784  -8.464
  632   2HD   PRO  81          3HD       PRO  81 -14.213  -6.822  -6.683
  633    H    ASP  82           H        ASP  82 -10.581  -9.990  -8.211
  634    HA   ASP  82           HA       ASP  82 -10.782 -11.709 -10.479
  635   1HB   ASP  82          2HB       ASP  82  -9.775  -9.930 -12.059
  636   2HB   ASP  82          3HB       ASP  82 -11.511  -9.981 -11.808
  637    H    ASP  83           H        ASP  83  -8.790  -9.088  -8.978
  638    HA   ASP  83           HA       ASP  83  -6.344 -10.589  -9.459
  639   1HB   ASP  83          2HB       ASP  83  -6.677  -8.079  -9.554
  640   2HB   ASP  83          3HB       ASP  83  -6.720  -8.080  -7.797
  641    H    ARG  84           H        ARG  84  -8.643 -11.202  -7.291
  642    HA   ARG  84           HA       ARG  84  -6.657 -12.181  -5.278
  643   1HB   ARG  84          2HB       ARG  84  -9.065 -10.566  -4.951
  644   2HB   ARG  84          3HB       ARG  84  -9.249 -12.110  -4.118
  645   1HG   ARG  84          2HG       ARG  84  -6.653 -11.182  -3.459
  646   2HG   ARG  84          3HG       ARG  84  -7.716  -9.769  -3.349
  647   1HD   ARG  84          2HD       ARG  84  -7.667 -10.810  -1.188
  648   2HD   ARG  84          3HD       ARG  84  -9.224 -11.209  -1.865
  649    HE   ARG  84           HE       ARG  84  -8.586 -13.426  -2.226
  650   1HH1  ARG  84          2HH       ARG  84  -5.864 -11.534  -1.137
  651   2HH1  ARG  84          1HH       ARG  84  -4.840 -12.889  -0.752
  652   1HH2  ARG  84          2HH       ARG  84  -7.287 -15.267  -1.724
  653   2HH2  ARG  84          1HH       ARG  84  -5.718 -15.078  -1.030
  654    H    SER  85           H        SER  85  -8.615 -13.245  -7.769
  655    HA   SER  85           HA       SER  85  -9.873 -15.097  -8.185
  656   1HB   SER  85          2HB       SER  85  -7.235 -15.948  -7.012
  657   2HB   SER  85          3HB       SER  85  -8.397 -17.190  -7.518
  658    HG   SER  85           HG       SER  85  -8.226 -16.564  -9.552
  659    H    LYS  86           H        LYS  86 -11.133 -13.953  -6.047
  660    HA   LYS  86           HA       LYS  86 -12.117 -16.290  -4.615
  661   1HB   LYS  86          2HB       LYS  86  -9.964 -14.762  -3.458
  662   2HB   LYS  86          3HB       LYS  86 -11.374 -14.392  -2.508
  663   1HG   LYS  86          2HG       LYS  86 -10.843 -17.276  -3.238
  664   2HG   LYS  86          3HG       LYS  86  -9.794 -16.513  -2.057
  665   1HD   LYS  86          2HD       LYS  86 -11.330 -16.635  -0.425
  666   2HD   LYS  86          3HD       LYS  86 -12.561 -15.853  -1.409
  667   1HE   LYS  86          2HE       LYS  86 -12.224 -18.539  -2.398
  668   2HE   LYS  86          3HE       LYS  86 -12.339 -18.616  -0.636
  669   1HZ   LYS  86          1HZ       LYS  86 -14.271 -17.263  -2.420
  670   2HZ   LYS  86          2HZ       LYS  86 -14.505 -18.711  -1.665
  671   3HZ   LYS  86          3HZ       LYS  86 -14.379 -17.332  -0.778
  672    H    LEU  87           H        LEU  87 -12.024 -12.695  -4.410
  673    HA   LEU  87           HA       LEU  87 -14.677 -12.534  -3.286
  674   1HB   LEU  87          2HB       LEU  87 -13.197 -10.454  -4.937
  675   2HB   LEU  87          3HB       LEU  87 -14.606 -10.183  -3.934
  676    HG   LEU  87           HG       LEU  87 -13.001 -11.061  -1.991
  677   1HD1  LEU  87          1HD       LEU  87 -10.689  -9.955  -2.650
  678   2HD1  LEU  87          2HD       LEU  87 -11.049 -11.648  -3.069
  679   3HD1  LEU  87          3HD       LEU  87 -11.175 -10.342  -4.294
  680   1HD2  LEU  87          1HD       LEU  87 -13.929  -8.939  -1.904
  681   2HD2  LEU  87          2HD       LEU  87 -12.207  -8.617  -1.793
  682   3HD2  LEU  87          3HD       LEU  87 -13.041  -8.344  -3.341
  683    H    SER  88           H        SER  88 -16.628 -11.890  -4.444
  684    HA   SER  88           HA       SER  88 -16.800 -11.663  -7.244
  685   1HB   SER  88          2HB       SER  88 -16.185 -14.254  -6.579
  686   2HB   SER  88          3HB       SER  88 -17.954 -14.324  -6.501
  687    HG   SER  88           HG       SER  88 -18.025 -14.057  -8.634
  688    H    LYS  89           H        LYS  89 -19.267 -12.173  -7.808
  689    HA   LYS  89           HA       LYS  89 -21.465 -11.746  -7.455
  690   1HB   LYS  89          2HB       LYS  89 -20.795 -13.422  -5.378
  691   2HB   LYS  89          3HB       LYS  89 -21.495 -12.078  -4.497
  692   1HG   LYS  89          2HG       LYS  89 -22.780 -13.613  -6.801
  693   2HG   LYS  89          3HG       LYS  89 -23.143 -13.823  -5.090
  694   1HD   LYS  89          2HD       LYS  89 -24.701 -12.196  -5.204
  695   2HD   LYS  89          3HD       LYS  89 -23.454 -11.033  -5.615
  696   1HE   LYS  89          2HE       LYS  89 -24.798 -10.803  -7.461
  697   2HE   LYS  89          3HE       LYS  89 -23.681 -12.038  -8.054
  698   1HZ   LYS  89          1HZ       LYS  89 -25.961 -12.631  -8.501
  699   2HZ   LYS  89          2HZ       LYS  89 -25.330 -13.708  -7.426
  700   3HZ   LYS  89          3HZ       LYS  89 -26.358 -12.530  -6.910
  701    HA   PRO  90           HA       PRO  90 -20.314  -7.478  -6.114
  702   1HB   PRO  90          2HB       PRO  90 -20.714  -6.250  -8.566
  703   2HB   PRO  90          3HB       PRO  90 -19.169  -6.969  -8.043
  704   1HG   PRO  90          2HG       PRO  90 -21.186  -8.052  -9.969
  705   2HG   PRO  90          3HG       PRO  90 -19.413  -8.281  -9.927
  706   1HD   PRO  90          2HD       PRO  90 -21.401 -10.078  -8.979
  707   2HD   PRO  90          3HD       PRO  90 -19.639 -10.184  -8.685
  708    H    MET  91           H        MET  91 -21.851  -5.395  -6.794
  709    HA   MET  91           HA       MET  91 -24.660  -6.308  -6.685
  710   1HB   MET  91          2HB       MET  91 -23.556  -5.866  -4.378
  711   2HB   MET  91          3HB       MET  91 -23.482  -4.165  -4.858
  712   1HG   MET  91          2HG       MET  91 -26.074  -5.690  -5.112
  713   2HG   MET  91          3HG       MET  91 -25.556  -5.148  -3.519
  714   1HE   MET  91          1HE       MET  91 -28.092  -2.913  -6.259
  715   2HE   MET  91          2HE       MET  91 -27.723  -4.643  -6.143
  716   3HE   MET  91          3HE       MET  91 -28.508  -3.807  -4.780
  717    H    GLU  92           H        GLU  92 -26.056  -4.890  -7.854
  718    HA   GLU  92           HA       GLU  92 -25.320  -2.205  -8.368
  719   1HB   GLU  92          2HB       GLU  92 -23.909  -3.721 -10.016
  720   2HB   GLU  92          3HB       GLU  92 -25.402  -3.944 -10.877
  721   1HG   GLU  92          2HG       GLU  92 -24.649  -1.109 -10.109
  722   2HG   GLU  92          3HG       GLU  92 -23.564  -1.917 -11.238
  723    H    THR  93           H        THR  93 -27.189  -1.240  -9.933
  724    HA   THR  93           HA       THR  93 -29.483  -2.853 -10.257
  725    HB   THR  93           HB       THR  93 -29.715  -2.439  -7.824
  726    HG1  THR  93          1HG       THR  93 -31.591  -0.935  -9.311
  727   1HG2  THR  93          1HG       THR  93 -28.545  -0.157  -7.829
  728   2HG2  THR  93          2HG       THR  93 -30.067   0.521  -8.432
  729   3HG2  THR  93          3HG       THR  93 -30.019  -0.288  -6.854
  730    H    LEU  94           H        LEU  94 -30.831  -1.897 -11.711
  731    HA   LEU  94           HA       LEU  94 -31.572  -0.612 -13.367
  732   1HB   LEU  94          2HB       LEU  94 -32.466   0.639 -11.471
  733   2HB   LEU  94          3HB       LEU  94 -31.041   1.678 -11.440
  734    HG   LEU  94           HG       LEU  94 -32.415   1.478 -14.091
  735   1HD1  LEU  94          1HD       LEU  94 -34.252   2.985 -13.433
  736   2HD1  LEU  94          2HD       LEU  94 -34.374   1.379 -12.694
  737   3HD1  LEU  94          3HD       LEU  94 -33.807   2.759 -11.722
  738   1HD2  LEU  94          1HD       LEU  94 -31.594   3.582 -14.379
  739   2HD2  LEU  94          2HD       LEU  94 -32.103   4.138 -12.761
  740   3HD2  LEU  94          3HD       LEU  94 -30.586   3.243 -12.982
  741    HHA  HEM  95          MHG       HEM  95  12.073  -0.384   8.327
  742    HHB  HEM  95          MHD       HEM  95   5.781   0.103   9.419
  743    HHC  HEM  95          MHA       HEM  95   4.718   0.012   3.083
  744    HHD  HEM  95          MHB       HEM  95  11.038   0.098   1.998
  745   1HMA  HEM  95          1HM       HEM  95   8.395  -0.531  12.135
  746   2HMA  HEM  95          2HM       HEM  95   7.388   0.805  11.550
  747   3HMA  HEM  95          3HM       HEM  95   6.869  -0.874  11.315
  748   1HAA  HEM  95          1HP       HEM  95  10.541  -0.600  11.753
  749   2HAA  HEM  95          2HP       HEM  95  11.639   0.032  10.547
  750   1HBA  HEM  95          3HP       HEM  95  11.303  -2.455   9.512
  751   2HBA  HEM  95          4HP       HEM  95  10.944  -2.818  11.196
  752   1HMB  HEM  95          1HM       HEM  95   3.757  -0.577   8.854
  753   2HMB  HEM  95          2HM       HEM  95   3.358   1.115   8.645
  754   3HMB  HEM  95          3HM       HEM  95   2.383  -0.167   7.834
  755    HAB  HEM  95          AHT       HEM  95   2.705   0.297   4.030
  756   1HBB  HEM  95          CHV       HEM  95   2.421  -1.958   5.861
  757   2HBB  HEM  95          THV       HEM  95   1.079  -1.165   4.855
  758   1HMC  HEM  95          1HM       HEM  95   5.637  -1.235   0.519
  759   2HMC  HEM  95          2HM       HEM  95   5.021   0.359   0.979
  760   3HMC  HEM  95          3HM       HEM  95   6.207   0.253  -0.305
  761    HAC  HEM  95          AHT       HEM  95  10.085  -0.161  -0.023
  762   1HBC  HEM  95          THV       HEM  95   8.754  -1.016  -1.842
  763   2HBC  HEM  95          CHV       HEM  95   7.663  -1.828  -0.559
  764   1HMD  HEM  95          1HM       HEM  95  14.442  -0.180   3.572
  765   2HMD  HEM  95          2HM       HEM  95  13.191  -0.217   2.333
  766   3HMD  HEM  95          3HM       HEM  95  13.660   1.333   3.066
  767   1HAD  HEM  95          1HP       HEM  95  13.891   0.346   7.415
  768   2HAD  HEM  95          2HP       HEM  95  14.620   0.872   5.916
  769   1HBD  HEM  95          3HP       HEM  95  15.547  -1.257   7.099
  770   2HBD  HEM  95          4HP       HEM  95  15.345  -1.289   5.347
  Start of MODEL   14
    1   1H    ASP   1           H1       ASP   1 -21.089  -3.609  11.187
    2   2H    ASP   1           H2       ASP   1 -19.479  -3.873  11.288
    3   3H    ASP   1           H3       ASP   1 -20.150  -2.541  12.021
    4    HA   ASP   1           HA       ASP   1 -18.952  -2.132   9.858
    5   1HB   ASP   1          2HB       ASP   1 -20.564  -0.511   9.082
    6   2HB   ASP   1          3HB       ASP   1 -21.895  -1.369   9.903
    7    H    LYS   2           H        LYS   2 -20.143  -1.903   7.353
    8    HA   LYS   2           HA       LYS   2 -20.587  -4.670   6.584
    9   1HB   LYS   2          2HB       LYS   2 -22.788  -2.675   6.858
   10   2HB   LYS   2          3HB       LYS   2 -22.717  -3.412   5.260
   11   1HG   LYS   2          2HG       LYS   2 -23.256  -5.519   6.012
   12   2HG   LYS   2          3HG       LYS   2 -22.416  -5.319   7.539
   13   1HD   LYS   2          2HD       LYS   2 -24.595  -5.442   8.230
   14   2HD   LYS   2          3HD       LYS   2 -24.310  -3.696   8.212
   15   1HE   LYS   2          2HE       LYS   2 -25.406  -3.539   5.997
   16   2HE   LYS   2          3HE       LYS   2 -25.624  -5.297   5.960
   17   1HZ   LYS   2          1HZ       LYS   2 -26.725  -3.753   8.189
   18   2HZ   LYS   2          2HZ       LYS   2 -27.540  -3.813   6.762
   19   3HZ   LYS   2          3HZ       LYS   2 -27.220  -5.202   7.586
   20    H    ASP   3           H        ASP   3 -20.630  -4.859   4.263
   21    HA   ASP   3           HA       ASP   3 -19.468  -4.714   2.377
   22   1HB   ASP   3          2HB       ASP   3 -20.156  -1.765   2.615
   23   2HB   ASP   3          3HB       ASP   3 -19.399  -2.493   1.195
   24    H    VAL   4           H        VAL   4 -17.488  -3.282   1.280
   25    HA   VAL   4           HA       VAL   4 -15.495  -2.730   3.359
   26    HB   VAL   4           HB       VAL   4 -14.802  -4.443   0.957
   27   1HG1  VAL   4          1HG       VAL   4 -13.115  -3.065   2.485
   28   2HG1  VAL   4          2HG       VAL   4 -13.430  -4.343   3.652
   29   3HG1  VAL   4          3HG       VAL   4 -12.750  -4.755   2.065
   30   1HG2  VAL   4          1HG       VAL   4 -14.711  -6.399   2.499
   31   2HG2  VAL   4          2HG       VAL   4 -15.578  -5.444   3.724
   32   3HG2  VAL   4          3HG       VAL   4 -16.361  -5.847   2.180
   33    H    LYS   5           H        LYS   5 -13.864  -2.735   0.644
   34    HA   LYS   5           HA       LYS   5 -14.897  -0.126  -0.360
   35   1HB   LYS   5          2HB       LYS   5 -12.280  -0.807   0.840
   36   2HB   LYS   5          3HB       LYS   5 -12.267   0.302  -0.531
   37   1HG   LYS   5          2HG       LYS   5 -13.967   0.672   1.983
   38   2HG   LYS   5          3HG       LYS   5 -12.378   1.386   1.755
   39   1HD   LYS   5          2HD       LYS   5 -13.340   2.349  -0.471
   40   2HD   LYS   5          3HD       LYS   5 -14.918   1.990   0.235
   41   1HE   LYS   5          2HE       LYS   5 -13.288   3.238   2.257
   42   2HE   LYS   5          3HE       LYS   5 -13.073   4.169   0.769
   43   1HZ   LYS   5          1HZ       LYS   5 -15.654   3.497   2.033
   44   2HZ   LYS   5          2HZ       LYS   5 -14.935   4.981   2.034
   45   3HZ   LYS   5          3HZ       LYS   5 -15.481   4.330   0.622
   46    H    TYR   6           H        TYR   6 -13.136  -3.073  -1.112
   47    HA   TYR   6           HA       TYR   6 -12.386  -3.924  -3.105
   48   1HB   TYR   6          2HB       TYR   6 -15.320  -3.316  -3.544
   49   2HB   TYR   6          3HB       TYR   6 -14.383  -4.526  -4.412
   50    HD1  TYR   6           HD1      TYR   6 -12.869  -6.034  -2.521
   51    HD2  TYR   6           HD2      TYR   6 -16.813  -4.326  -2.051
   52    HE1  TYR   6           HE1      TYR   6 -13.416  -7.756  -0.830
   53    HE2  TYR   6           HE2      TYR   6 -17.377  -6.073  -0.399
   54    HH   TYR   6           HH       TYR   6 -16.645  -8.024   0.683
   55    H    TYR   7           H        TYR   7 -10.803  -2.318  -4.041
   56    HA   TYR   7           HA       TYR   7 -12.027  -0.438  -5.902
   57   1HB   TYR   7          2HB       TYR   7  -9.433  -0.663  -4.309
   58   2HB   TYR   7          3HB       TYR   7  -9.575   0.357  -5.677
   59    HD1  TYR   7           HD1      TYR   7  -9.958   0.339  -2.175
   60    HD2  TYR   7           HD2      TYR   7 -11.735   1.919  -5.768
   61    HE1  TYR   7           HE1      TYR   7 -10.853   2.273  -0.902
   62    HE2  TYR   7           HE2      TYR   7 -12.560   3.879  -4.526
   63    HH   TYR   7           HH       TYR   7 -12.165   5.086  -2.471
   64    H    THR   8           H        THR   8 -10.954  -0.195  -7.984
   65    HA   THR   8           HA       THR   8 -10.187  -2.795  -9.146
   66    HB   THR   8           HB       THR   8 -10.673  -1.273 -11.257
   67    HG1  THR   8          1HG       THR   8 -11.028   0.733 -10.667
   68   1HG2  THR   8          1HG       THR   8 -12.233  -3.003 -10.543
   69   2HG2  THR   8          2HG       THR   8 -12.845  -1.947  -9.242
   70   3HG2  THR   8          3HG       THR   8 -13.145  -1.528 -10.938
   71    H    LEU   9           H        LEU   9  -8.145  -2.997 -10.191
   72    HA   LEU   9           HA       LEU   9  -5.986  -1.678  -9.339
   73   1HB   LEU   9          2HB       LEU   9  -6.124  -2.516 -12.261
   74   2HB   LEU   9          3HB       LEU   9  -4.703  -2.356 -11.246
   75    HG   LEU   9           HG       LEU   9  -5.063  -4.642 -11.401
   76   1HD1  LEU   9          1HD       LEU   9  -4.612  -3.895  -9.091
   77   2HD1  LEU   9          2HD       LEU   9  -6.366  -3.797  -8.794
   78   3HD1  LEU   9          3HD       LEU   9  -5.614  -5.365  -9.113
   79   1HD2  LEU   9          1HD       LEU   9  -7.765  -4.983 -10.375
   80   2HD2  LEU   9          2HD       LEU   9  -7.768  -3.991 -11.867
   81   3HD2  LEU   9          3HD       LEU   9  -7.016  -5.574 -11.864
   82    H    GLU  10           H        GLU  10  -7.914  -0.540 -12.111
   83    HA   GLU  10           HA       GLU  10  -6.209   1.496 -12.984
   84   1HB   GLU  10          2HB       GLU  10  -8.519   0.522 -13.888
   85   2HB   GLU  10          3HB       GLU  10  -9.224   1.822 -12.936
   86   1HG   GLU  10          2HG       GLU  10  -8.964   2.748 -15.078
   87   2HG   GLU  10          3HG       GLU  10  -7.570   3.388 -14.202
   88    H    GLU  11           H        GLU  11  -8.677   1.568 -10.413
   89    HA   GLU  11           HA       GLU  11  -8.374   4.355  -9.764
   90   1HB   GLU  11          2HB       GLU  11 -10.423   3.131  -9.214
   91   2HB   GLU  11          3HB       GLU  11  -9.516   1.981  -8.235
   92   1HG   GLU  11          2HG       GLU  11 -10.611   3.451  -6.763
   93   2HG   GLU  11          3HG       GLU  11  -8.909   3.782  -6.645
   94    H    ILE  12           H        ILE  12  -6.903   1.260  -8.432
   95    HA   ILE  12           HA       ILE  12  -5.452   2.614  -6.428
   96    HB   ILE  12           HB       ILE  12  -4.913   0.036  -7.970
   97   1HG1  ILE  12          2HG       ILE  12  -5.463  -0.658  -5.459
   98   2HG1  ILE  12          3HG       ILE  12  -6.272   0.895  -5.435
   99   1HG2  ILE  12          1HG       ILE  12  -3.340  -0.448  -6.023
  100   2HG2  ILE  12          2HG       ILE  12  -2.752   0.712  -7.202
  101   3HG2  ILE  12          3HG       ILE  12  -3.401   1.285  -5.640
  102   1HD1  ILE  12          1HD       ILE  12  -6.895  -1.252  -7.452
  103   2HD1  ILE  12          2HD       ILE  12  -7.677  -1.152  -5.880
  104   3HD1  ILE  12          3HD       ILE  12  -7.851   0.200  -6.995
  105    H    LYS  13           H        LYS  13  -4.879   2.242  -9.884
  106    HA   LYS  13           HA       LYS  13  -2.205   3.440  -9.777
  107   1HB   LYS  13          2HB       LYS  13  -3.944   2.288 -11.972
  108   2HB   LYS  13          3HB       LYS  13  -2.395   3.095 -12.306
  109   1HG   LYS  13          2HG       LYS  13  -1.123   1.471 -11.265
  110   2HG   LYS  13          3HG       LYS  13  -2.348   1.127 -10.063
  111   1HD   LYS  13          2HD       LYS  13  -2.462  -0.817 -11.088
  112   2HD   LYS  13          3HD       LYS  13  -3.641   0.001 -12.108
  113   1HE   LYS  13          2HE       LYS  13  -0.710   0.050 -12.850
  114   2HE   LYS  13          3HE       LYS  13  -1.637  -1.434 -13.098
  115   1HZ   LYS  13          1HZ       LYS  13  -2.394   1.191 -14.219
  116   2HZ   LYS  13          2HZ       LYS  13  -1.663  -0.029 -15.054
  117   3HZ   LYS  13          3HZ       LYS  13  -3.188  -0.218 -14.464
  118    H    LYS  14           H        LYS  14  -5.063   4.779  -9.245
  119    HA   LYS  14           HA       LYS  14  -4.310   7.321 -10.595
  120   1HB   LYS  14          2HB       LYS  14  -6.272   6.259 -11.584
  121   2HB   LYS  14          3HB       LYS  14  -7.057   6.158 -10.015
  122   1HG   LYS  14          2HG       LYS  14  -6.205   8.917 -10.723
  123   2HG   LYS  14          3HG       LYS  14  -7.343   8.216 -11.872
  124   1HD   LYS  14          2HD       LYS  14  -8.990   7.801 -10.240
  125   2HD   LYS  14          3HD       LYS  14  -7.858   8.003  -8.889
  126   1HE   LYS  14          2HE       LYS  14  -7.638  10.380  -9.343
  127   2HE   LYS  14          3HE       LYS  14  -8.686  10.236 -10.772
  128   1HZ   LYS  14          1HZ       LYS  14  -9.436   9.800  -7.955
  129   2HZ   LYS  14          2HZ       LYS  14 -10.028  10.957  -8.978
  130   3HZ   LYS  14          3HZ       LYS  14 -10.397   9.359  -9.198
  131    H    HIS  15           H        HIS  15  -4.232   5.802  -7.582
  132    HA   HIS  15           HA       HIS  15  -4.934   8.306  -6.179
  133   1HB   HIS  15          2HB       HIS  15  -4.505   5.428  -5.408
  134   2HB   HIS  15          3HB       HIS  15  -4.332   6.683  -4.198
  135    HD1  HIS  15           HD1      HIS  15  -6.539   8.470  -4.113
  136    HD2  HIS  15           HD2      HIS  15  -6.988   4.653  -5.797
  137    HE1  HIS  15           HE1      HIS  15  -9.055   7.930  -4.056
  138    H    ASN  16           H        ASN  16  -2.226   6.837  -7.524
  139    HA   ASN  16           HA       ASN  16  -0.208   7.665  -5.631
  140   1HB   ASN  16          2HB       ASN  16   1.400   7.069  -7.456
  141   2HB   ASN  16          3HB       ASN  16   0.277   5.781  -7.009
  142   1HD2  ASN  16          1HD       ASN  16  -1.445   5.148  -8.510
  143   2HD2  ASN  16          2HD       ASN  16  -1.303   5.722 -10.182
  144    H    HIS  17           H        HIS  17  -1.078   9.936  -5.416
  145    HA   HIS  17           HA       HIS  17   0.321  11.721  -7.346
  146   1HB   HIS  17          2HB       HIS  17  -1.558  13.122  -7.576
  147   2HB   HIS  17          3HB       HIS  17  -2.103  11.486  -7.915
  148    HD1  HIS  17           HD1      HIS  17  -2.395  14.217  -5.274
  149    HD2  HIS  17           HD2      HIS  17  -4.085  10.536  -6.383
  150    HE1  HIS  17           HE1      HIS  17  -4.576  13.940  -3.889
  151    H    SER  18           H        SER  18   0.935  10.717  -4.600
  152    HA   SER  18           HA       SER  18   2.050  11.509  -2.823
  153   1HB   SER  18          2HB       SER  18   2.676  13.499  -4.265
  154   2HB   SER  18          3HB       SER  18   1.287  14.360  -3.576
  155    HG   SER  18           HG       SER  18   3.471  13.284  -2.121
  156    H    LYS  19           H        LYS  19  -1.001  13.436  -3.308
  157    HA   LYS  19           HA       LYS  19  -1.602  13.160  -0.464
  158   1HB   LYS  19          2HB       LYS  19  -2.683  14.737  -2.798
  159   2HB   LYS  19          3HB       LYS  19  -3.787  14.378  -1.487
  160   1HG   LYS  19          2HG       LYS  19  -2.940  16.338  -0.692
  161   2HG   LYS  19          3HG       LYS  19  -1.818  15.213   0.064
  162   1HD   LYS  19          2HD       LYS  19  -0.438  15.616  -2.209
  163   2HD   LYS  19          3HD       LYS  19  -1.412  17.103  -2.247
  164   1HE   LYS  19          2HE       LYS  19  -0.648  17.575   0.113
  165   2HE   LYS  19          3HE       LYS  19   0.359  16.121   0.037
  166   1HZ   LYS  19          1HZ       LYS  19   1.919  17.364  -0.857
  167   2HZ   LYS  19          2HZ       LYS  19   0.986  17.632  -2.182
  168   3HZ   LYS  19          3HZ       LYS  19   0.943  18.689  -0.919
  169    H    SER  20           H        SER  20  -1.464  10.703  -2.056
  170    HA   SER  20           HA       SER  20  -3.401   9.212  -0.746
  171   1HB   SER  20          2HB       SER  20  -4.277   9.998  -3.506
  172   2HB   SER  20          3HB       SER  20  -4.599   8.359  -2.915
  173    HG   SER  20           HG       SER  20  -6.302   9.450  -2.166
  174    H    THR  21           H        THR  21  -0.590   9.117  -1.105
  175    HA   THR  21           HA       THR  21   0.393   7.182  -2.902
  176    HB   THR  21           HB       THR  21   1.088   7.627   0.020
  177    HG1  THR  21          1HG       THR  21   2.471   9.179  -0.854
  178   1HG2  THR  21          1HG       THR  21   2.915   6.803  -2.251
  179   2HG2  THR  21          2HG       THR  21   3.213   6.774  -0.492
  180   3HG2  THR  21          3HG       THR  21   2.100   5.610  -1.218
  181    H    TRP  22           H        TRP  22  -1.222   5.668  -3.275
  182    HA   TRP  22           HA       TRP  22  -1.828   3.678  -1.166
  183   1HB   TRP  22          2HB       TRP  22  -2.759   4.230  -4.014
  184   2HB   TRP  22          3HB       TRP  22  -3.120   2.711  -3.206
  185    HD1  TRP  22           HD1      TRP  22  -3.279   5.707  -0.932
  186    HE1  TRP  22           HE1      TRP  22  -5.633   6.181  -0.297
  187    HE3  TRP  22           HE3      TRP  22  -5.552   2.573  -4.226
  188    HZ2  TRP  22           HZ2      TRP  22  -8.317   5.428  -1.229
  189    HZ3  TRP  22           HZ3      TRP  22  -8.058   2.496  -4.373
  190    HH2  TRP  22           HH2      TRP  22  -9.405   3.973  -2.925
  191    H    LEU  23           H        LEU  23  -1.647   1.375  -2.043
  192    HA   LEU  23           HA       LEU  23   0.183   0.769  -4.151
  193   1HB   LEU  23          2HB       LEU  23   1.932  -0.246  -2.604
  194   2HB   LEU  23          3HB       LEU  23   1.927   1.492  -2.792
  195    HG   LEU  23           HG       LEU  23   0.589   1.604  -0.546
  196   1HD1  LEU  23          1HD       LEU  23   0.017  -0.818  -0.521
  197   2HD1  LEU  23          2HD       LEU  23   1.723  -1.156  -0.343
  198   3HD1  LEU  23          3HD       LEU  23   0.871  -0.272   0.938
  199   1HD2  LEU  23          1HD       LEU  23   2.654   2.326  -0.007
  200   2HD2  LEU  23          2HD       LEU  23   3.036   0.659   0.477
  201   3HD2  LEU  23          3HD       LEU  23   3.445   1.217  -1.137
  202    H    ILE  24           H        ILE  24   0.429  -1.733  -4.283
  203    HA   ILE  24           HA       ILE  24  -1.774  -3.103  -2.894
  204    HB   ILE  24           HB       ILE  24  -0.282  -3.351  -5.573
  205   1HG1  ILE  24          2HG       ILE  24  -2.288  -2.729  -6.315
  206   2HG1  ILE  24          3HG       ILE  24  -2.803  -4.343  -5.785
  207   1HG2  ILE  24          1HG       ILE  24  -1.180  -5.644  -5.920
  208   2HG2  ILE  24          2HG       ILE  24   0.067  -5.601  -4.705
  209   3HG2  ILE  24          3HG       ILE  24  -1.645  -5.677  -4.214
  210   1HD1  ILE  24          1HD       ILE  24  -4.384  -2.604  -5.080
  211   2HD1  ILE  24          2HD       ILE  24  -3.692  -3.479  -3.715
  212   3HD1  ILE  24          3HD       ILE  24  -3.126  -1.834  -4.118
  213    H    LEU  25           H        LEU  25  -0.749  -3.540  -1.027
  214    HA   LEU  25           HA       LEU  25   1.697  -5.175  -1.315
  215   1HB   LEU  25          2HB       LEU  25   0.571  -3.583   0.994
  216   2HB   LEU  25          3HB       LEU  25   1.480  -5.064   1.350
  217    HG   LEU  25           HG       LEU  25   2.548  -2.968  -0.554
  218   1HD1  LEU  25          1HD       LEU  25   3.481  -1.733   1.164
  219   2HD1  LEU  25          2HD       LEU  25   1.997  -2.221   1.971
  220   3HD1  LEU  25          3HD       LEU  25   3.506  -3.115   2.292
  221   1HD2  LEU  25          1HD       LEU  25   3.533  -5.105  -0.682
  222   2HD2  LEU  25          2HD       LEU  25   4.670  -3.954  -0.018
  223   3HD2  LEU  25          3HD       LEU  25   3.862  -5.136   1.065
  224    H    HIS  26           H        HIS  26   1.049  -7.081  -1.877
  225    HA   HIS  26           HA       HIS  26  -0.097  -9.041  -1.876
  226   1HB   HIS  26          2HB       HIS  26  -1.565  -8.289   0.666
  227   2HB   HIS  26          3HB       HIS  26  -1.049  -9.872   0.128
  228    HD1  HIS  26           HD1      HIS  26   1.910  -9.994   0.095
  229    HD2  HIS  26           HD2      HIS  26  -0.072  -7.144   2.471
  230    HE1  HIS  26           HE1      HIS  26   3.586  -9.193   1.839
  231    H    HIS  27           H        HIS  27  -2.293  -9.658  -2.527
  232    HA   HIS  27           HA       HIS  27  -4.378  -8.650  -3.328
  233   1HB   HIS  27          2HB       HIS  27  -5.784 -10.472  -2.491
  234   2HB   HIS  27          3HB       HIS  27  -4.197 -11.011  -2.998
  235    HD1  HIS  27           HD1      HIS  27  -2.588 -12.026  -1.058
  236    HD2  HIS  27           HD2      HIS  27  -6.461 -10.834   0.069
  237    HE1  HIS  27           HE1      HIS  27  -2.984 -12.958   1.282
  238    H    LYS  28           H        LYS  28  -3.587  -6.724  -0.971
  239    HA   LYS  28           HA       LYS  28  -6.319  -5.996  -0.488
  240   1HB   LYS  28          2HB       LYS  28  -4.232  -6.456   1.670
  241   2HB   LYS  28          3HB       LYS  28  -5.369  -5.107   1.798
  242   1HG   LYS  28          2HG       LYS  28  -6.627  -6.678   2.865
  243   2HG   LYS  28          3HG       LYS  28  -7.184  -6.877   1.221
  244   1HD   LYS  28          2HD       LYS  28  -6.823  -9.022   1.369
  245   2HD   LYS  28          3HD       LYS  28  -5.073  -8.743   1.446
  246   1HE   LYS  28          2HE       LYS  28  -6.856  -8.479   3.893
  247   2HE   LYS  28          3HE       LYS  28  -6.349 -10.080   3.345
  248   1HZ   LYS  28          1HZ       LYS  28  -4.476  -7.902   3.989
  249   2HZ   LYS  28          2HZ       LYS  28  -4.844  -9.157   4.994
  250   3HZ   LYS  28          3HZ       LYS  28  -4.087  -9.454   3.564
  251    H    VAL  29           H        VAL  29  -6.450  -3.485  -0.299
  252    HA   VAL  29           HA       VAL  29  -4.162  -2.331  -1.678
  253    HB   VAL  29           HB       VAL  29  -6.887  -1.236  -1.089
  254   1HG1  VAL  29          1HG       VAL  29  -5.198   0.287  -1.785
  255   2HG1  VAL  29          2HG       VAL  29  -4.889  -0.693  -3.234
  256   3HG1  VAL  29          3HG       VAL  29  -6.460   0.138  -3.037
  257   1HG2  VAL  29          1HG       VAL  29  -6.349  -3.269  -3.145
  258   2HG2  VAL  29          2HG       VAL  29  -7.842  -2.843  -2.271
  259   3HG2  VAL  29          3HG       VAL  29  -7.328  -1.868  -3.632
  260    H    TYR  30           H        TYR  30  -2.934  -0.811  -0.489
  261    HA   TYR  30           HA       TYR  30  -3.907  -0.128   2.210
  262   1HB   TYR  30          2HB       TYR  30  -1.311  -1.100   1.035
  263   2HB   TYR  30          3HB       TYR  30  -1.353  -0.221   2.523
  264    HD1  TYR  30           HD1      TYR  30  -2.769  -1.265   4.477
  265    HD2  TYR  30           HD2      TYR  30  -1.640  -3.459   0.949
  266    HE1  TYR  30           HE1      TYR  30  -2.989  -3.453   5.691
  267    HE2  TYR  30           HE2      TYR  30  -1.692  -5.556   2.254
  268    HH   TYR  30           HH       TYR  30  -1.878  -6.503   4.343
  269    H    ASP  31           H        ASP  31  -3.351   1.978   2.880
  270    HA   ASP  31           HA       ASP  31  -2.463   3.952   0.863
  271   1HB   ASP  31          2HB       ASP  31  -4.875   4.227   1.205
  272   2HB   ASP  31          3HB       ASP  31  -4.668   4.151   2.960
  273    H    LEU  32           H        LEU  32  -0.536   4.646   1.626
  274    HA   LEU  32           HA       LEU  32  -0.292   4.842   4.592
  275   1HB   LEU  32          2HB       LEU  32   2.264   4.580   3.276
  276   2HB   LEU  32          3HB       LEU  32   1.569   3.744   4.667
  277    HG   LEU  32           HG       LEU  32   1.124   2.902   1.785
  278   1HD1  LEU  32          1HD       LEU  32   3.401   2.685   2.337
  279   2HD1  LEU  32          2HD       LEU  32   3.044   2.073   3.981
  280   3HD1  LEU  32          3HD       LEU  32   2.703   1.071   2.557
  281   1HD2  LEU  32          1HD       LEU  32   0.655   0.710   3.342
  282   2HD2  LEU  32          2HD       LEU  32   0.121   1.993   4.445
  283   3HD2  LEU  32          3HD       LEU  32  -0.613   1.832   2.849
  284    H    THR  33           H        THR  33  -1.359   6.751   2.730
  285    HA   THR  33           HA       THR  33   0.546   8.686   1.892
  286    HB   THR  33           HB       THR  33  -2.475   8.740   2.515
  287    HG1  THR  33          1HG       THR  33  -1.903   7.223   0.965
  288   1HG2  THR  33          1HG       THR  33  -1.545  11.013   2.318
  289   2HG2  THR  33          2HG       THR  33  -0.823  10.553   0.756
  290   3HG2  THR  33          3HG       THR  33  -2.600  10.586   0.963
  291    H    LYS  34           H        LYS  34  -1.798   8.656   4.659
  292    HA   LYS  34           HA       LYS  34  -0.386  10.933   5.855
  293   1HB   LYS  34          2HB       LYS  34  -2.814  10.699   6.025
  294   2HB   LYS  34          3HB       LYS  34  -2.655   9.216   6.957
  295   1HG   LYS  34          2HG       LYS  34  -1.195  11.660   7.958
  296   2HG   LYS  34          3HG       LYS  34  -2.953  11.708   8.047
  297   1HD   LYS  34          2HD       LYS  34  -3.072  10.193   9.736
  298   2HD   LYS  34          3HD       LYS  34  -1.834   9.152   9.022
  299   1HE   LYS  34          2HE       LYS  34  -0.149  10.999   9.724
  300   2HE   LYS  34          3HE       LYS  34  -1.440  11.568  10.807
  301   1HZ   LYS  34          1HZ       LYS  34  -0.239   8.867  10.720
  302   2HZ   LYS  34          2HZ       LYS  34   0.040   9.938  11.882
  303   3HZ   LYS  34          3HZ       LYS  34  -1.453   9.258  11.725
  304    H    PHE  35           H        PHE  35   0.574   7.823   5.473
  305    HA   PHE  35           HA       PHE  35   1.933   7.625   8.086
  306   1HB   PHE  35          2HB       PHE  35   0.570   5.746   7.453
  307   2HB   PHE  35          3HB       PHE  35   1.309   5.640   5.894
  308    HD1  PHE  35          1HD       PHE  35   3.366   4.484   5.468
  309    HD2  PHE  35          2HD       PHE  35   2.087   5.163   9.517
  310    HE1  PHE  35          1HE       PHE  35   4.978   2.789   6.244
  311    HE2  PHE  35          2HE       PHE  35   3.830   3.585  10.318
  312    HZ   PHE  35           HZ       PHE  35   5.263   2.385   8.683
  313    H    LEU  36           H        LEU  36   2.343   8.510   4.839
  314    HA   LEU  36           HA       LEU  36   4.976   7.733   4.253
  315   1HB   LEU  36          2HB       LEU  36   3.344  10.252   3.690
  316   2HB   LEU  36          3HB       LEU  36   5.057  10.230   3.297
  317    HG   LEU  36           HG       LEU  36   2.879   8.420   2.166
  318   1HD1  LEU  36          1HD       LEU  36   4.417  10.818   1.246
  319   2HD1  LEU  36          2HD       LEU  36   4.084   9.582   0.049
  320   3HD1  LEU  36          3HD       LEU  36   2.733  10.348   0.955
  321   1HD2  LEU  36          1HD       LEU  36   4.919   7.686   0.687
  322   2HD2  LEU  36          2HD       LEU  36   5.880   8.197   2.076
  323   3HD2  LEU  36          3HD       LEU  36   4.624   6.943   2.265
  324    H    GLU  37           H        GLU  37   4.007  10.316   6.466
  325    HA   GLU  37           HA       GLU  37   6.848  10.689   7.207
  326   1HB   GLU  37          2HB       GLU  37   4.318  12.257   7.847
  327   2HB   GLU  37          3HB       GLU  37   5.877  12.576   8.620
  328   1HG   GLU  37          2HG       GLU  37   6.819  12.675   6.172
  329   2HG   GLU  37          3HG       GLU  37   5.130  12.897   5.705
  330    H    GLU  38           H        GLU  38   5.065   8.297   7.993
  331    HA   GLU  38           HA       GLU  38   5.617   8.342  10.930
  332   1HB   GLU  38          2HB       GLU  38   3.488   7.001   9.283
  333   2HB   GLU  38          3HB       GLU  38   3.974   6.315  10.817
  334   1HG   GLU  38          2HG       GLU  38   3.489   8.856  11.628
  335   2HG   GLU  38          3HG       GLU  38   2.385   8.771  10.245
  336    H    HIS  39           HN       HIS  39   6.336   6.768   7.928
  337    HA   HIS  39           HA       HIS  39   7.166   4.248   8.935
  338   1HB   HIS  39          2HB       HIS  39   6.953   5.419   6.457
  339   2HB   HIS  39          3HB       HIS  39   8.659   5.633   6.777
  340    HD1  HIS  39           HND      HIS  39   8.860   4.284   4.469
  341    HD2  HIS  39           HD       HIS  39   7.373   2.093   7.703
  342    HE1  HIS  39           HE       HIS  39   9.301   1.924   3.904
  343    HA   PRO  40           HA       PRO  40  10.677   5.473  11.232
  344   1HB   PRO  40          2HB       PRO  40  12.615   3.521  10.829
  345   2HB   PRO  40          3HB       PRO  40  11.125   3.288  11.789
  346   1HG   PRO  40          2HG       PRO  40  11.749   2.290   9.045
  347   2HG   PRO  40          3HG       PRO  40  10.631   1.670  10.304
  348   1HD   PRO  40          2HD       PRO  40   9.958   3.173   8.017
  349   2HD   PRO  40          3HD       PRO  40   8.872   2.733   9.382
  350    H    GLY  41           H        GLY  41  11.508   4.694   7.907
  351   1HA   GLY  41          2HA       GLY  41  13.025   7.158   7.642
  352   2HA   GLY  41          3HA       GLY  41  14.052   5.718   7.631
  353    H    GLY  42           H        GLY  42  10.786   5.183   6.206
  354   1HA   GLY  42          2HA       GLY  42  12.025   5.731   3.542
  355   2HA   GLY  42          3HA       GLY  42  10.939   4.388   3.852
  356    H    GLU  43           H        GLU  43  10.932   7.318   2.542
  357    HA   GLU  43           HA       GLU  43   7.951   7.350   2.925
  358   1HB   GLU  43          2HB       GLU  43   7.925   9.670   2.815
  359   2HB   GLU  43          3HB       GLU  43   9.147   9.233   3.973
  360   1HG   GLU  43          2HG       GLU  43  10.120  11.007   2.852
  361   2HG   GLU  43          3HG       GLU  43  10.890   9.606   2.123
  362    H    GLU  44           H        GLU  44  10.552   8.105   0.907
  363    HA   GLU  44           HA       GLU  44   9.265   8.319  -1.635
  364   1HB   GLU  44          2HB       GLU  44  11.569   9.179  -1.226
  365   2HB   GLU  44          3HB       GLU  44  12.159   7.519  -1.162
  366   1HG   GLU  44          2HG       GLU  44  12.649   7.886  -3.349
  367   2HG   GLU  44          3HG       GLU  44  10.994   7.414  -3.620
  368    H    VAL  45           H        VAL  45  10.799   5.510   0.012
  369    HA   VAL  45           HA       VAL  45  10.527   3.648  -2.098
  370    HB   VAL  45           HB       VAL  45  10.110   2.043  -0.056
  371   1HG1  VAL  45          1HG       VAL  45  12.559   2.056   0.393
  372   2HG1  VAL  45          2HG       VAL  45  12.158   2.088  -1.334
  373   3HG1  VAL  45          3HG       VAL  45  12.684   3.579  -0.525
  374   1HG2  VAL  45          1HG       VAL  45  11.445   4.224   1.520
  375   2HG2  VAL  45          2HG       VAL  45   9.669   4.119   1.498
  376   3HG2  VAL  45          3HG       VAL  45  10.635   2.749   2.070
  377    H    LEU  46           H        LEU  46   8.023   4.924   0.242
  378    HA   LEU  46           HA       LEU  46   6.134   2.952  -0.709
  379   1HB   LEU  46          2HB       LEU  46   5.454   5.584   0.576
  380   2HB   LEU  46          3HB       LEU  46   4.561   4.067   0.641
  381    HG   LEU  46           HG       LEU  46   7.084   4.894   2.116
  382   1HD1  LEU  46          1HD       LEU  46   4.390   4.840   2.852
  383   2HD1  LEU  46          2HD       LEU  46   5.077   3.408   3.633
  384   3HD1  LEU  46          3HD       LEU  46   5.783   5.005   3.926
  385   1HD2  LEU  46          1HD       LEU  46   6.178   2.078   1.527
  386   2HD2  LEU  46          2HD       LEU  46   7.820   2.779   1.508
  387   3HD2  LEU  46          3HD       LEU  46   7.012   2.469   3.037
  388    H    ARG  47           H        ARG  47   7.293   6.045  -1.909
  389    HA   ARG  47           HA       ARG  47   5.095   6.336  -3.814
  390   1HB   ARG  47          2HB       ARG  47   7.421   7.941  -2.906
  391   2HB   ARG  47          3HB       ARG  47   7.202   7.980  -4.641
  392   1HG   ARG  47          2HG       ARG  47   4.583   8.384  -3.644
  393   2HG   ARG  47          3HG       ARG  47   5.635   9.261  -2.527
  394   1HD   ARG  47          2HD       ARG  47   5.177  10.816  -4.231
  395   2HD   ARG  47          3HD       ARG  47   6.792  10.211  -4.647
  396    HE   ARG  47           HE       ARG  47   5.019   8.542  -5.989
  397   1HH1  ARG  47          2HH       ARG  47   5.993  11.900  -6.036
  398   2HH1  ARG  47          1HH       ARG  47   5.323  12.285  -7.584
  399   1HH2  ARG  47          2HH       ARG  47   4.027   8.997  -8.081
  400   2HH2  ARG  47          1HH       ARG  47   4.187  10.558  -8.785
  401    H    GLU  48           H        GLU  48   8.279   4.786  -3.807
  402    HA   GLU  48           HA       GLU  48   8.583   4.761  -6.689
  403   1HB   GLU  48          2HB       GLU  48   9.927   3.579  -4.281
  404   2HB   GLU  48          3HB       GLU  48  10.102   2.668  -5.765
  405   1HG   GLU  48          2HG       GLU  48  10.565   5.543  -6.225
  406   2HG   GLU  48          3HG       GLU  48  11.611   4.905  -4.960
  407    H    GLN  49           H        GLN  49   6.735   2.949  -4.383
  408    HA   GLN  49           HA       GLN  49   5.934   1.033  -6.531
  409   1HB   GLN  49          2HB       GLN  49   5.836   0.757  -3.518
  410   2HB   GLN  49          3HB       GLN  49   5.454  -0.516  -4.710
  411   1HG   GLN  49          2HG       GLN  49   8.210   0.746  -4.300
  412   2HG   GLN  49          3HG       GLN  49   7.679  -0.792  -3.670
  413   1HE2  GLN  49          1HE       GLN  49   9.634  -1.505  -4.936
  414   2HE2  GLN  49          2HE       GLN  49   9.414  -1.878  -6.636
  415    H    ALA  50           H        ALA  50   5.000   3.797  -5.389
  416    HA   ALA  50           HA       ALA  50   2.413   3.462  -4.359
  417   1HB   ALA  50          1HB       ALA  50   3.721   5.664  -5.941
  418   2HB   ALA  50          2HB       ALA  50   1.990   5.742  -5.556
  419   3HB   ALA  50          3HB       ALA  50   3.156   5.637  -4.241
  420    H    GLY  51           H        GLY  51   0.457   3.065  -5.210
  421   1HA   GLY  51          2HA       GLY  51  -1.116   2.193  -6.630
  422   2HA   GLY  51          3HA       GLY  51  -0.379   3.158  -7.916
  423    H    GLY  52           H        GLY  52   1.707   0.784  -6.301
  424   1HA   GLY  52          2HA       GLY  52   1.452  -1.072  -8.589
  425   2HA   GLY  52          3HA       GLY  52   2.993  -0.284  -8.173
  426    H    ASP  53           H        ASP  53   3.266  -2.842  -8.106
  427    HA   ASP  53           HA       ASP  53   2.358  -4.058  -5.604
  428   1HB   ASP  53          2HB       ASP  53   3.235  -5.070  -8.145
  429   2HB   ASP  53          3HB       ASP  53   4.366  -5.664  -6.926
  430    H    ALA  54           H        ALA  54   3.316  -3.274  -3.828
  431    HA   ALA  54           HA       ALA  54   6.249  -2.760  -3.941
  432   1HB   ALA  54          1HB       ALA  54   5.968  -1.358  -2.194
  433   2HB   ALA  54          2HB       ALA  54   4.342  -1.228  -2.874
  434   3HB   ALA  54          3HB       ALA  54   4.618  -2.276  -1.478
  435    H    THR  55           H        THR  55   4.227  -5.406  -3.318
  436    HA   THR  55           HA       THR  55   5.039  -6.429  -0.931
  437    HB   THR  55           HB       THR  55   4.468  -8.051  -3.459
  438    HG1  THR  55          1HG       THR  55   2.718  -6.969  -3.594
  439   1HG2  THR  55          1HG       THR  55   4.908  -9.416  -1.536
  440   2HG2  THR  55          2HG       THR  55   3.940  -8.350  -0.496
  441   3HG2  THR  55          3HG       THR  55   3.139  -9.368  -1.727
  442    H    GLU  56           H        GLU  56   6.720  -6.702  -4.065
  443    HA   GLU  56           HA       GLU  56   8.634  -8.656  -3.336
  444   1HB   GLU  56          2HB       GLU  56   8.582  -6.283  -5.220
  445   2HB   GLU  56          3HB       GLU  56  10.103  -7.133  -4.958
  446   1HG   GLU  56          2HG       GLU  56   7.505  -8.438  -5.886
  447   2HG   GLU  56          3HG       GLU  56   8.850  -7.978  -6.937
  448    H    ASN  57           H        ASN  57   8.709  -5.028  -2.811
  449    HA   ASN  57           HA       ASN  57  11.256  -5.183  -1.513
  450   1HB   ASN  57          2HB       ASN  57   9.058  -3.080  -1.202
  451   2HB   ASN  57          3HB       ASN  57  10.766  -2.923  -0.785
  452   1HD2  ASN  57          1HD       ASN  57  12.193  -2.204  -2.425
  453   2HD2  ASN  57          2HD       ASN  57  11.729  -2.118  -4.108
  454    H    PHE  58           H        PHE  58   7.969  -4.685  -0.277
  455    HA   PHE  58           HA       PHE  58   8.415  -4.795   2.445
  456   1HB   PHE  58          2HB       PHE  58   6.264  -4.552   1.273
  457   2HB   PHE  58          3HB       PHE  58   6.161  -6.304   1.104
  458    HD1  PHE  58          1HD       PHE  58   6.284  -3.487   3.556
  459    HD2  PHE  58          2HD       PHE  58   5.232  -7.611   2.899
  460    HE1  PHE  58          1HE       PHE  58   5.056  -3.513   5.709
  461    HE2  PHE  58          2HE       PHE  58   3.953  -7.621   5.015
  462    HZ   PHE  58           HZ       PHE  58   3.872  -5.564   6.438
  463    H    GLU  59           H        GLU  59   8.477  -7.753   0.392
  464    HA   GLU  59           HA       GLU  59   8.943  -9.488   2.714
  465   1HB   GLU  59          2HB       GLU  59   8.540  -9.777  -0.237
  466   2HB   GLU  59          3HB       GLU  59   9.567 -10.991   0.510
  467   1HG   GLU  59          2HG       GLU  59   6.857 -10.261   1.683
  468   2HG   GLU  59          3HG       GLU  59   7.033 -11.471   0.412
  469    H    ASP  60           H        ASP  60  10.921  -8.124   0.015
  470    HA   ASP  60           HA       ASP  60  13.309  -9.520   0.544
  471   1HB   ASP  60          2HB       ASP  60  12.631  -7.991  -1.427
  472   2HB   ASP  60          3HB       ASP  60  13.162  -6.640  -0.430
  473    H    VAL  61           H        VAL  61  12.021  -6.538   1.891
  474    HA   VAL  61           HA       VAL  61  14.214  -5.844   3.568
  475    HB   VAL  61           HB       VAL  61  11.245  -5.173   3.782
  476   1HG1  VAL  61          1HG       VAL  61  12.266  -4.805   5.967
  477   2HG1  VAL  61          2HG       VAL  61  13.631  -3.946   5.220
  478   3HG1  VAL  61          3HG       VAL  61  11.994  -3.246   5.202
  479   1HG2  VAL  61          1HG       VAL  61  13.521  -3.982   2.244
  480   2HG2  VAL  61          2HG       VAL  61  11.787  -3.984   1.888
  481   3HG2  VAL  61          3HG       VAL  61  12.423  -2.838   3.044
  482    H    GLY  62           H        GLY  62  11.330  -7.949   4.215
  483   1HA   GLY  62          2HA       GLY  62  11.467  -9.767   5.710
  484   2HA   GLY  62          3HA       GLY  62  13.038  -9.180   6.292
  485    H    HIS  63           HN       HIS  63  10.182  -7.151   5.879
  486    HA   HIS  63           HA       HIS  63  10.392  -5.644   8.067
  487   1HB   HIS  63          2HB       HIS  63   8.011  -6.581   6.448
  488   2HB   HIS  63          3HB       HIS  63   7.702  -5.614   7.875
  489    HD1  HIS  63           HND      HIS  63   9.190  -5.268   4.416
  490    HD2  HIS  63           HD       HIS  63   8.164  -3.032   7.809
  491    HE1  HIS  63           HE       HIS  63   9.196  -2.851   3.679
  492    H    SER  64           H        SER  64   9.640  -5.539  10.168
  493    HA   SER  64           HA       SER  64   9.285  -7.936  11.646
  494   1HB   SER  64          2HB       SER  64   8.813  -5.000  12.321
  495   2HB   SER  64          3HB       SER  64   8.897  -6.323  13.511
  496    HG   SER  64           HG       SER  64  10.918  -5.192  13.134
  497    H    THR  65           H        THR  65   7.390  -8.401  13.122
  498    HA   THR  65           HA       THR  65   4.997  -8.551  11.690
  499    HB   THR  65           HB       THR  65   5.613  -8.811  14.654
  500    HG1  THR  65          1HG       THR  65   5.836 -10.649  12.504
  501   1HG2  THR  65          1HG       THR  65   3.649  -9.856  14.966
  502   2HG2  THR  65          2HG       THR  65   3.116  -9.047  13.486
  503   3HG2  THR  65          3HG       THR  65   3.717 -10.716  13.411
  504    H    ASP  66           H        ASP  66   6.106  -6.154  14.160
  505    HA   ASP  66           HA       ASP  66   3.617  -4.886  14.570
  506   1HB   ASP  66          2HB       ASP  66   6.440  -3.742  14.484
  507   2HB   ASP  66          3HB       ASP  66   5.025  -2.842  15.046
  508    H    ALA  67           H        ALA  67   5.924  -4.692  11.873
  509    HA   ALA  67           HA       ALA  67   4.523  -2.509  10.538
  510   1HB   ALA  67          1HB       ALA  67   5.882  -3.697   8.540
  511   2HB   ALA  67          2HB       ALA  67   6.638  -2.600   9.704
  512   3HB   ALA  67          3HB       ALA  67   6.816  -4.330   9.923
  513    H    ARG  68           H        ARG  68   4.424  -6.147  10.439
  514    HA   ARG  68           HA       ARG  68   2.745  -6.307   8.271
  515   1HB   ARG  68          2HB       ARG  68   3.393  -8.182  10.230
  516   2HB   ARG  68          3HB       ARG  68   1.629  -8.129  10.201
  517   1HG   ARG  68          2HG       ARG  68   1.882  -9.519   8.391
  518   2HG   ARG  68          3HG       ARG  68   2.033  -8.017   7.512
  519   1HD   ARG  68          2HD       ARG  68   3.978  -9.093   6.819
  520   2HD   ARG  68          3HD       ARG  68   4.616  -8.235   8.239
  521    HE   ARG  68           HE       ARG  68   3.517 -10.683   9.094
  522   1HH1  ARG  68          2HH       ARG  68   6.296  -9.565   7.224
  523   2HH1  ARG  68          1HH       ARG  68   7.130 -11.069   7.243
  524   1HH2  ARG  68          2HH       ARG  68   4.602 -12.699   9.191
  525   2HH2  ARG  68          1HH       ARG  68   6.165 -12.885   8.480
  526    H    GLU  69           H        GLU  69   2.133  -5.045  11.633
  527    HA   GLU  69           HA       GLU  69  -0.784  -5.262  11.601
  528   1HB   GLU  69          2HB       GLU  69   1.247  -4.270  13.638
  529   2HB   GLU  69          3HB       GLU  69  -0.445  -3.802  13.756
  530   1HG   GLU  69          2HG       GLU  69  -0.968  -6.306  13.491
  531   2HG   GLU  69          3HG       GLU  69   0.718  -6.571  13.971
  532    H    LEU  70           H        LEU  70   1.528  -2.423  11.676
  533    HA   LEU  70           HA       LEU  70  -0.348  -0.416  11.692
  534   1HB   LEU  70          2HB       LEU  70   2.374  -0.834  10.497
  535   2HB   LEU  70          3HB       LEU  70   1.555   0.677  10.240
  536    HG   LEU  70           HG       LEU  70   1.654  -0.287  13.036
  537   1HD1  LEU  70          1HD       LEU  70   3.903  -0.910  12.522
  538   2HD1  LEU  70          2HD       LEU  70   4.137   0.483  11.442
  539   3HD1  LEU  70          3HD       LEU  70   4.055   0.711  13.202
  540   1HD2  LEU  70          1HD       LEU  70   2.228   2.123  13.407
  541   2HD2  LEU  70          2HD       LEU  70   2.179   2.345  11.648
  542   3HD2  LEU  70          3HD       LEU  70   0.705   1.859  12.528
  543    H    SER  71           H        SER  71   0.597  -2.479   8.928
  544    HA   SER  71           HA       SER  71  -0.882  -1.190   6.800
  545   1HB   SER  71          2HB       SER  71  -0.378  -3.101   5.670
  546   2HB   SER  71          3HB       SER  71   0.782  -3.305   6.986
  547    HG   SER  71           HG       SER  71  -0.963  -5.029   6.389
  548    H    LYS  72           H        LYS  72  -2.062  -3.374   9.315
  549    HA   LYS  72           HA       LYS  72  -4.621  -3.603   8.187
  550   1HB   LYS  72          2HB       LYS  72  -3.445  -4.733  10.253
  551   2HB   LYS  72          3HB       LYS  72  -4.169  -3.421  11.181
  552   1HG   LYS  72          2HG       LYS  72  -6.082  -4.611  11.269
  553   2HG   LYS  72          3HG       LYS  72  -6.254  -4.450   9.512
  554   1HD   LYS  72          2HD       LYS  72  -4.974  -6.479   9.131
  555   2HD   LYS  72          3HD       LYS  72  -4.570  -6.609  10.862
  556   1HE   LYS  72          2HE       LYS  72  -6.891  -6.911  11.466
  557   2HE   LYS  72          3HE       LYS  72  -7.420  -6.602   9.803
  558   1HZ   LYS  72          1HZ       LYS  72  -7.384  -8.945  10.276
  559   2HZ   LYS  72          2HZ       LYS  72  -6.247  -8.603   9.137
  560   3HZ   LYS  72          3HZ       LYS  72  -5.791  -8.898  10.694
  561    H    THR  73           H        THR  73  -3.198  -0.865   9.879
  562    HA   THR  73           HA       THR  73  -5.794   0.477  10.178
  563    HB   THR  73           HB       THR  73  -4.733   1.999  11.515
  564    HG1  THR  73          1HG       THR  73  -2.277   1.442  10.200
  565   1HG2  THR  73          1HG       THR  73  -3.307   0.832  13.055
  566   2HG2  THR  73          2HG       THR  73  -4.454  -0.362  12.412
  567   3HG2  THR  73          3HG       THR  73  -2.774  -0.320  11.829
  568    H    PHE  74           H        PHE  74  -3.364   0.171   7.822
  569    HA   PHE  74           HA       PHE  74  -3.986   2.615   6.295
  570   1HB   PHE  74          2HB       PHE  74  -2.027   0.330   5.903
  571   2HB   PHE  74          3HB       PHE  74  -2.034   1.803   4.999
  572    HD1  PHE  74          1HD       PHE  74   0.379   0.716   6.310
  573    HD2  PHE  74          2HD       PHE  74  -2.702   3.320   7.914
  574    HE1  PHE  74          1HE       PHE  74   1.936   1.589   7.980
  575    HE2  PHE  74          2HE       PHE  74  -1.176   3.989   9.708
  576    HZ   PHE  74           HZ       PHE  74   1.085   3.030   9.793
  577    H    ILE  75           H        ILE  75  -4.993  -0.770   6.346
  578    HA   ILE  75           HA       ILE  75  -5.409  -1.074   3.567
  579    HB   ILE  75           HB       ILE  75  -5.912  -2.520   5.971
  580   1HG1  ILE  75          2HG       ILE  75  -6.591  -3.556   3.232
  581   2HG1  ILE  75          3HG       ILE  75  -4.943  -3.123   3.582
  582   1HG2  ILE  75          1HG       ILE  75  -8.283  -1.869   5.922
  583   2HG2  ILE  75          2HG       ILE  75  -8.408  -2.435   4.227
  584   3HG2  ILE  75          3HG       ILE  75  -8.089  -3.580   5.540
  585   1HD1  ILE  75          1HD       ILE  75  -5.108  -5.452   4.098
  586   2HD1  ILE  75          2HD       ILE  75  -5.041  -4.618   5.650
  587   3HD1  ILE  75          3HD       ILE  75  -6.595  -5.220   5.038
  588    H    ILE  76           H        ILE  76  -6.696  -0.110   2.203
  589    HA   ILE  76           HA       ILE  76  -9.034   1.424   3.267
  590    HB   ILE  76           HB       ILE  76  -8.801   2.872   1.265
  591   1HG1  ILE  76          2HG       ILE  76  -6.440   2.981   0.266
  592   2HG1  ILE  76          3HG       ILE  76  -6.162   1.354   0.856
  593   1HG2  ILE  76          1HG       ILE  76  -7.019   4.202   2.143
  594   2HG2  ILE  76          2HG       ILE  76  -8.040   3.563   3.446
  595   3HG2  ILE  76          3HG       ILE  76  -6.450   2.829   3.134
  596   1HD1  ILE  76          1HD       ILE  76  -7.981   0.556  -0.566
  597   2HD1  ILE  76          2HD       ILE  76  -8.521   2.231  -0.827
  598   3HD1  ILE  76          3HD       ILE  76  -6.993   1.681  -1.518
  599    H    GLY  77           H        GLY  77  -8.427  -1.496   2.007
  600   1HA   GLY  77          2HA       GLY  77 -10.888  -2.283   1.346
  601   2HA   GLY  77          3HA       GLY  77 -10.406  -1.438  -0.152
  602    H    GLU  78           H        GLU  78 -10.639  -3.768  -0.986
  603    HA   GLU  78           HA       GLU  78  -7.997  -4.986  -0.822
  604   1HB   GLU  78          2HB       GLU  78 -10.489  -6.710  -0.909
  605   2HB   GLU  78          3HB       GLU  78  -8.807  -7.197  -0.639
  606   1HG   GLU  78          2HG       GLU  78  -8.964  -5.684   1.511
  607   2HG   GLU  78          3HG       GLU  78 -10.700  -5.754   1.258
  608    H    LEU  79           H        LEU  79  -7.592  -6.283  -2.965
  609    HA   LEU  79           HA       LEU  79  -8.497  -4.663  -5.130
  610   1HB   LEU  79          2HB       LEU  79  -7.217  -7.429  -4.891
  611   2HB   LEU  79          3HB       LEU  79  -7.793  -6.827  -6.427
  612    HG   LEU  79           HG       LEU  79  -5.606  -6.302  -6.534
  613   1HD1  LEU  79          1HD       LEU  79  -6.567  -3.699  -5.322
  614   2HD1  LEU  79          2HD       LEU  79  -5.409  -3.957  -6.636
  615   3HD1  LEU  79          3HD       LEU  79  -7.137  -4.310  -6.880
  616   1HD2  LEU  79          1HD       LEU  79  -5.075  -6.862  -4.165
  617   2HD2  LEU  79          2HD       LEU  79  -4.158  -5.540  -4.819
  618   3HD2  LEU  79          3HD       LEU  79  -5.494  -5.201  -3.709
  619    H    HIS  80           H        HIS  80  -9.978  -5.098  -6.741
  620    HA   HIS  80           HA       HIS  80 -12.451  -5.859  -6.040
  621   1HB   HIS  80          2HB       HIS  80 -11.058  -5.488  -8.562
  622   2HB   HIS  80          3HB       HIS  80 -12.148  -6.862  -8.718
  623    HD1  HIS  80           HD1      HIS  80 -13.786  -5.508 -10.340
  624    HD2  HIS  80           HD2      HIS  80 -13.169  -3.844  -6.525
  625    HE1  HIS  80           HE1      HIS  80 -15.580  -3.710 -10.015
  626    HA   PRO  81           HA       PRO  81 -12.475 -10.107  -5.343
  627   1HB   PRO  81          2HB       PRO  81 -15.162 -10.777  -5.649
  628   2HB   PRO  81          3HB       PRO  81 -14.486  -9.896  -4.246
  629   1HG   PRO  81          2HG       PRO  81 -15.963  -8.781  -6.622
  630   2HG   PRO  81          3HG       PRO  81 -16.031  -8.268  -4.907
  631   1HD   PRO  81          2HD       PRO  81 -14.543  -7.000  -6.893
  632   2HD   PRO  81          3HD       PRO  81 -14.171  -6.909  -5.144
  633    H    ASP  82           H        ASP  82 -14.017  -8.981  -8.345
  634    HA   ASP  82           HA       ASP  82 -13.537 -11.540  -9.701
  635   1HB   ASP  82          2HB       ASP  82 -14.630  -8.838 -10.519
  636   2HB   ASP  82          3HB       ASP  82 -14.174 -10.024 -11.736
  637    H    ASP  83           H        ASP  83 -11.430  -8.982  -8.772
  638    HA   ASP  83           HA       ASP  83  -9.891  -8.807 -11.244
  639   1HB   ASP  83          2HB       ASP  83  -9.653  -6.926  -9.859
  640   2HB   ASP  83          3HB       ASP  83  -9.431  -7.888  -8.407
  641    H    ARG  84           H        ARG  84 -10.179 -11.092  -8.695
  642    HA   ARG  84           HA       ARG  84  -7.638 -12.126  -8.434
  643   1HB   ARG  84          2HB       ARG  84  -9.598 -12.913  -7.178
  644   2HB   ARG  84          3HB       ARG  84 -10.266 -13.667  -8.637
  645   1HG   ARG  84          2HG       ARG  84  -8.355 -15.209  -8.775
  646   2HG   ARG  84          3HG       ARG  84  -7.562 -14.395  -7.417
  647   1HD   ARG  84          2HD       ARG  84  -8.673 -15.688  -5.941
  648   2HD   ARG  84          3HD       ARG  84 -10.219 -15.152  -6.594
  649    HE   ARG  84           HE       ARG  84 -10.445 -17.087  -7.752
  650   1HH1  ARG  84          2HH       ARG  84  -7.067 -16.816  -6.770
  651   2HH1  ARG  84          1HH       ARG  84  -6.621 -18.418  -7.238
  652   1HH2  ARG  84          2HH       ARG  84  -9.876 -19.237  -8.426
  653   2HH2  ARG  84          1HH       ARG  84  -8.267 -19.821  -8.218
  654    H    SER  85           H        SER  85  -9.879 -12.774 -11.103
  655    HA   SER  85           HA       SER  85  -7.766 -13.037 -12.960
  656   1HB   SER  85          2HB       SER  85  -7.417 -15.257 -11.807
  657   2HB   SER  85          3HB       SER  85  -9.047 -15.725 -12.295
  658    HG   SER  85           HG       SER  85  -8.325 -15.403 -14.471
  659    H    LYS  86           H        LYS  86 -10.451 -11.707 -12.689
  660    HA   LYS  86           HA       LYS  86 -11.736 -12.912 -15.113
  661   1HB   LYS  86          2HB       LYS  86 -12.840 -12.768 -12.466
  662   2HB   LYS  86          3HB       LYS  86 -13.679 -11.578 -13.453
  663   1HG   LYS  86          2HG       LYS  86 -13.854 -13.561 -15.223
  664   2HG   LYS  86          3HG       LYS  86 -13.545 -14.567 -13.785
  665   1HD   LYS  86          2HD       LYS  86 -15.360 -13.097 -12.668
  666   2HD   LYS  86          3HD       LYS  86 -15.827 -12.619 -14.308
  667   1HE   LYS  86          2HE       LYS  86 -16.381 -14.930 -14.851
  668   2HE   LYS  86          3HE       LYS  86 -15.587 -15.503 -13.370
  669   1HZ   LYS  86          1HZ       LYS  86 -17.249 -14.087 -12.161
  670   2HZ   LYS  86          2HZ       LYS  86 -18.100 -13.997 -13.565
  671   3HZ   LYS  86          3HZ       LYS  86 -17.838 -15.465 -12.860
  672    H    LEU  87           H        LEU  87 -11.927  -9.972 -13.086
  673    HA   LEU  87           HA       LEU  87 -12.187  -7.780 -13.603
  674   1HB   LEU  87          2HB       LEU  87 -10.334  -8.593 -15.869
  675   2HB   LEU  87          3HB       LEU  87 -10.651  -6.920 -15.402
  676    HG   LEU  87           HG       LEU  87  -9.611  -8.992 -13.433
  677   1HD1  LEU  87          1HD       LEU  87  -7.411  -8.418 -13.872
  678   2HD1  LEU  87          2HD       LEU  87  -8.089  -8.456 -15.512
  679   3HD1  LEU  87          3HD       LEU  87  -7.833  -6.900 -14.690
  680   1HD2  LEU  87          1HD       LEU  87  -9.741  -5.929 -13.480
  681   2HD2  LEU  87          2HD       LEU  87 -10.648  -7.003 -12.394
  682   3HD2  LEU  87          3HD       LEU  87  -8.895  -6.874 -12.252
  683    H    SER  88           H        SER  88 -14.488  -9.026 -14.278
  684    HA   SER  88           HA       SER  88 -15.362  -7.214 -16.352
  685   1HB   SER  88          2HB       SER  88 -14.463  -9.571 -17.337
  686   2HB   SER  88          3HB       SER  88 -16.110 -10.073 -16.919
  687    HG   SER  88           HG       SER  88 -16.899  -8.486 -18.311
  688    H    LYS  89           H        LYS  89 -17.759  -7.106 -16.362
  689    HA   LYS  89           HA       LYS  89 -19.099  -8.678 -14.236
  690   1HB   LYS  89          2HB       LYS  89 -18.422  -5.905 -14.073
  691   2HB   LYS  89          3HB       LYS  89 -20.162  -5.966 -14.274
  692   1HG   LYS  89          2HG       LYS  89 -18.749  -7.774 -12.280
  693   2HG   LYS  89          3HG       LYS  89 -19.125  -6.104 -11.876
  694   1HD   LYS  89          2HD       LYS  89 -21.312  -6.518 -11.550
  695   2HD   LYS  89          3HD       LYS  89 -21.460  -7.416 -13.060
  696   1HE   LYS  89          2HE       LYS  89 -19.960  -9.110 -11.355
  697   2HE   LYS  89          3HE       LYS  89 -21.193  -8.401 -10.308
  698   1HZ   LYS  89          1HZ       LYS  89 -21.810  -9.667 -12.913
  699   2HZ   LYS  89          2HZ       LYS  89 -21.876 -10.460 -11.468
  700   3HZ   LYS  89          3HZ       LYS  89 -22.882  -9.191 -11.766
  701    HA   PRO  90           HA       PRO  90 -21.413  -8.794 -18.194
  702   1HB   PRO  90          2HB       PRO  90 -21.744 -11.515 -18.350
  703   2HB   PRO  90          3HB       PRO  90 -20.262 -10.683 -18.900
  704   1HG   PRO  90          2HG       PRO  90 -20.728 -12.199 -16.339
  705   2HG   PRO  90          3HG       PRO  90 -19.263 -12.140 -17.368
  706   1HD   PRO  90          2HD       PRO  90 -19.701 -10.638 -15.032
  707   2HD   PRO  90          3HD       PRO  90 -18.496 -10.244 -16.294
  708    H    MET  91           H        MET  91 -23.620 -10.198 -18.459
  709    HA   MET  91           HA       MET  91 -25.114 -10.176 -15.918
  710   1HB   MET  91          2HB       MET  91 -25.283  -7.958 -17.353
  711   2HB   MET  91          3HB       MET  91 -26.205  -8.965 -18.481
  712   1HG   MET  91          2HG       MET  91 -27.500  -9.653 -16.252
  713   2HG   MET  91          3HG       MET  91 -26.854  -8.131 -15.657
  714   1HE   MET  91          1HE       MET  91 -29.927  -9.699 -16.809
  715   2HE   MET  91          2HE       MET  91 -29.655  -8.664 -15.391
  716   3HE   MET  91          3HE       MET  91 -30.809  -8.161 -16.651
  717    H    GLU  92           H        GLU  92 -27.090 -11.587 -16.118
  718    HA   GLU  92           HA       GLU  92 -27.515 -12.980 -18.607
  719   1HB   GLU  92          2HB       GLU  92 -27.244 -15.204 -17.704
  720   2HB   GLU  92          3HB       GLU  92 -25.744 -14.319 -17.523
  721   1HG   GLU  92          2HG       GLU  92 -25.763 -15.176 -15.434
  722   2HG   GLU  92          3HG       GLU  92 -26.756 -13.769 -15.079
  723    H    THR  93           H        THR  93 -29.605 -14.442 -18.221
  724    HA   THR  93           HA       THR  93 -31.142 -13.952 -15.907
  725    HB   THR  93           HB       THR  93 -31.558 -11.755 -16.810
  726    HG1  THR  93          1HG       THR  93 -33.846 -13.217 -17.589
  727   1HG2  THR  93          1HG       THR  93 -31.044 -12.300 -19.267
  728   2HG2  THR  93          2HG       THR  93 -32.705 -12.909 -19.370
  729   3HG2  THR  93          3HG       THR  93 -32.408 -11.215 -18.944
  730    H    LEU  94           H        LEU  94 -33.367 -14.889 -16.276
  731    HA   LEU  94           HA       LEU  94 -33.392 -17.362 -17.817
  732   1HB   LEU  94          2HB       LEU  94 -34.734 -16.915 -15.699
  733   2HB   LEU  94          3HB       LEU  94 -35.713 -15.757 -16.614
  734    HG   LEU  94           HG       LEU  94 -35.367 -18.501 -17.791
  735   1HD1  LEU  94          1HD       LEU  94 -37.183 -17.965 -15.407
  736   2HD1  LEU  94          2HD       LEU  94 -37.117 -19.462 -16.371
  737   3HD1  LEU  94          3HD       LEU  94 -35.720 -18.972 -15.398
  738   1HD2  LEU  94          1HD       LEU  94 -38.053 -17.185 -17.458
  739   2HD2  LEU  94          2HD       LEU  94 -36.918 -16.424 -18.584
  740   3HD2  LEU  94          3HD       LEU  94 -37.383 -18.108 -18.822
  741    HHA  HEM  95          MHG       HEM  95  12.089  -0.465   8.417
  742    HHB  HEM  95          MHD       HEM  95   5.745  -0.336   9.428
  743    HHC  HEM  95          MHA       HEM  95   4.779  -0.948   3.094
  744    HHD  HEM  95          MHB       HEM  95  11.069  -0.156   2.041
  745   1HMA  HEM  95          1HM       HEM  95   8.406  -0.495  12.211
  746   2HMA  HEM  95          2HM       HEM  95   7.123   0.453  11.458
  747   3HMA  HEM  95          3HM       HEM  95   7.041  -1.317  11.460
  748   1HAA  HEM  95          1HP       HEM  95  10.445  -0.940  11.820
  749   2HAA  HEM  95          2HP       HEM  95  11.617  -0.165  10.788
  750   1HBA  HEM  95          3HP       HEM  95  11.632  -2.813  11.558
  751   2HBA  HEM  95          4HP       HEM  95  12.602  -2.087  10.282
  752   1HMB  HEM  95          1HM       HEM  95   3.530  -1.467   8.770
  753   2HMB  HEM  95          2HM       HEM  95   3.436   0.295   8.759
  754   3HMB  HEM  95          3HM       HEM  95   2.324  -0.679   7.733
  755    HAB  HEM  95          AHT       HEM  95   2.548  -0.306   4.296
  756   1HBB  HEM  95          CHV       HEM  95   2.623  -2.943   5.820
  757   2HBB  HEM  95          THV       HEM  95   1.502  -2.460   4.404
  758   1HMC  HEM  95          1HM       HEM  95   5.595  -2.105   1.087
  759   2HMC  HEM  95          2HM       HEM  95   5.366  -0.423   0.499
  760   3HMC  HEM  95          3HM       HEM  95   6.598  -1.510  -0.213
  761    HAC  HEM  95          AHT       HEM  95  10.119  -0.862   0.048
  762   1HBC  HEM  95          THV       HEM  95   9.175   0.324  -1.811
  763   2HBC  HEM  95          CHV       HEM  95   7.582   0.575  -0.882
  764   1HMD  HEM  95          1HM       HEM  95  14.452  -0.440   3.626
  765   2HMD  HEM  95          2HM       HEM  95  13.206  -0.506   2.393
  766   3HMD  HEM  95          3HM       HEM  95  13.688   1.068   3.054
  767   1HAD  HEM  95          1HP       HEM  95  14.593  -0.916   6.254
  768   2HAD  HEM  95          2HP       HEM  95  13.920   0.126   7.490
  769   1HBD  HEM  95          3HP       HEM  95  15.124   1.851   6.806
  770   2HBD  HEM  95          4HP       HEM  95  14.347   1.819   5.231
  Start of MODEL   15
    1   1H    ASP   1           H1       ASP   1 -14.876  -5.882   9.800
    2   2H    ASP   1           H2       ASP   1 -13.742  -5.682   8.638
    3   3H    ASP   1           H3       ASP   1 -13.658  -4.771  10.028
    4    HA   ASP   1           HA       ASP   1 -15.499  -3.506   9.450
    5   1HB   ASP   1          2HB       ASP   1 -13.248  -3.301   8.088
    6   2HB   ASP   1          3HB       ASP   1 -14.225  -3.893   6.748
    7    H    LYS   2           H        LYS   2 -17.641  -3.573   8.620
    8    HA   LYS   2           HA       LYS   2 -18.515  -6.307   8.079
    9   1HB   LYS   2          2HB       LYS   2 -20.789  -5.422   7.975
   10   2HB   LYS   2          3HB       LYS   2 -19.931  -4.829   9.395
   11   1HG   LYS   2          2HG       LYS   2 -19.367  -2.800   7.664
   12   2HG   LYS   2          3HG       LYS   2 -20.864  -3.357   6.930
   13   1HD   LYS   2          2HD       LYS   2 -22.160  -2.633   8.688
   14   2HD   LYS   2          3HD       LYS   2 -20.927  -2.939   9.916
   15   1HE   LYS   2          2HE       LYS   2 -20.555  -0.777   7.824
   16   2HE   LYS   2          3HE       LYS   2 -21.474  -0.466   9.305
   17   1HZ   LYS   2          1HZ       LYS   2 -18.659  -1.390   9.236
   18   2HZ   LYS   2          2HZ       LYS   2 -19.141   0.144   9.511
   19   3HZ   LYS   2          3HZ       LYS   2 -19.541  -1.030  10.589
   20    H    ASP   3           H        ASP   3 -17.469  -3.727   6.063
   21    HA   ASP   3           HA       ASP   3 -17.889  -5.371   3.701
   22   1HB   ASP   3          2HB       ASP   3 -19.055  -2.602   4.126
   23   2HB   ASP   3          3HB       ASP   3 -18.365  -2.991   2.550
   24    H    VAL   4           H        VAL   4 -16.468  -4.118   1.902
   25    HA   VAL   4           HA       VAL   4 -14.095  -3.009   3.289
   26    HB   VAL   4           HB       VAL   4 -14.000  -4.640   0.729
   27   1HG1  VAL   4          1HG       VAL   4 -11.664  -4.921   2.341
   28   2HG1  VAL   4          2HG       VAL   4 -11.836  -4.035   0.831
   29   3HG1  VAL   4          3HG       VAL   4 -12.076  -3.209   2.395
   30   1HG2  VAL   4          1HG       VAL   4 -14.944  -6.211   2.255
   31   2HG2  VAL   4          2HG       VAL   4 -13.225  -6.565   2.143
   32   3HG2  VAL   4          3HG       VAL   4 -13.855  -5.696   3.569
   33    H    LYS   5           H        LYS   5 -13.340  -2.772   0.269
   34    HA   LYS   5           HA       LYS   5 -15.027  -0.422  -0.390
   35   1HB   LYS   5          2HB       LYS   5 -12.221  -0.384   0.369
   36   2HB   LYS   5          3HB       LYS   5 -12.508   0.390  -1.176
   37   1HG   LYS   5          2HG       LYS   5 -14.050   1.058   1.367
   38   2HG   LYS   5          3HG       LYS   5 -12.614   1.923   0.821
   39   1HD   LYS   5          2HD       LYS   5 -13.893   2.297  -1.410
   40   2HD   LYS   5          3HD       LYS   5 -15.334   1.881  -0.454
   41   1HE   LYS   5          2HE       LYS   5 -14.274   3.546   1.310
   42   2HE   LYS   5          3HE       LYS   5 -13.322   4.132  -0.062
   43   1HZ   LYS   5          1HZ       LYS   5 -15.373   4.623  -1.200
   44   2HZ   LYS   5          2HZ       LYS   5 -16.268   4.033   0.055
   45   3HZ   LYS   5          3HZ       LYS   5 -15.355   5.387   0.262
   46    H    TYR   6           H        TYR   6 -12.968  -3.036  -1.530
   47    HA   TYR   6           HA       TYR   6 -12.420  -3.822  -3.530
   48   1HB   TYR   6          2HB       TYR   6 -15.333  -3.155  -3.970
   49   2HB   TYR   6          3HB       TYR   6 -14.392  -4.367  -4.838
   50    HD1  TYR   6           HD1      TYR   6 -13.018  -6.042  -3.063
   51    HD2  TYR   6           HD2      TYR   6 -16.780  -4.025  -2.350
   52    HE1  TYR   6           HE1      TYR   6 -13.617  -7.741  -1.391
   53    HE2  TYR   6           HE2      TYR   6 -17.384  -5.740  -0.676
   54    HH   TYR   6           HH       TYR   6 -16.750  -7.742   0.354
   55    H    TYR   7           H        TYR   7 -10.810  -2.240  -4.344
   56    HA   TYR   7           HA       TYR   7 -11.918  -0.266  -6.204
   57   1HB   TYR   7          2HB       TYR   7  -9.372  -0.600  -4.573
   58   2HB   TYR   7          3HB       TYR   7  -9.433   0.409  -5.953
   59    HD1  TYR   7           HD1      TYR   7 -11.417   2.154  -6.071
   60    HD2  TYR   7           HD2      TYR   7 -10.002   0.355  -2.431
   61    HE1  TYR   7           HE1      TYR   7 -12.371   4.031  -4.821
   62    HE2  TYR   7           HE2      TYR   7 -11.003   2.236  -1.135
   63    HH   TYR   7           HH       TYR   7 -12.281   5.107  -2.694
   64    H    THR   8           H        THR   8 -10.933  -0.174  -8.288
   65    HA   THR   8           HA       THR   8  -9.996  -2.788  -9.303
   66    HB   THR   8           HB       THR   8 -10.241  -1.566 -11.501
   67    HG1  THR   8          1HG       THR   8 -11.265   0.474 -11.409
   68   1HG2  THR   8          1HG       THR   8 -12.522  -1.974 -11.627
   69   2HG2  THR   8          2HG       THR   8 -12.137  -2.824 -10.129
   70   3HG2  THR   8          3HG       THR   8 -12.866  -1.210 -10.054
   71    H    LEU   9           H        LEU   9  -7.978  -2.850 -10.501
   72    HA   LEU   9           HA       LEU   9  -5.783  -1.609  -9.512
   73   1HB   LEU   9          2HB       LEU   9  -6.032  -2.171 -12.491
   74   2HB   LEU   9          3HB       LEU   9  -4.580  -2.097 -11.510
   75    HG   LEU   9           HG       LEU   9  -4.875  -4.350 -11.845
   76   1HD1  LEU   9          1HD       LEU   9  -5.284  -5.293  -9.654
   77   2HD1  LEU   9          2HD       LEU   9  -4.549  -3.695  -9.416
   78   3HD1  LEU   9          3HD       LEU   9  -6.306  -3.924  -9.210
   79   1HD2  LEU   9          1HD       LEU   9  -6.811  -5.467 -12.179
   80   2HD2  LEU   9          2HD       LEU   9  -7.638  -4.705 -10.829
   81   3HD2  LEU   9          3HD       LEU   9  -7.517  -3.851 -12.391
   82    H    GLU  10           H        GLU  10  -7.817  -0.292 -12.172
   83    HA   GLU  10           HA       GLU  10  -6.282   1.989 -12.766
   84   1HB   GLU  10          2HB       GLU  10  -8.168   1.234 -14.112
   85   2HB   GLU  10          3HB       GLU  10  -9.301   1.621 -12.813
   86   1HG   GLU  10          2HG       GLU  10  -9.348   3.824 -13.361
   87   2HG   GLU  10          3HG       GLU  10  -7.591   3.936 -13.438
   88    H    GLU  11           H        GLU  11  -8.834   1.592 -10.137
   89    HA   GLU  11           HA       GLU  11  -8.733   4.311  -9.390
   90   1HB   GLU  11          2HB       GLU  11  -9.457   1.735  -7.941
   91   2HB   GLU  11          3HB       GLU  11  -9.535   3.307  -7.170
   92   1HG   GLU  11          2HG       GLU  11 -10.986   2.554  -9.720
   93   2HG   GLU  11          3HG       GLU  11 -11.707   2.580  -8.112
   94    H    ILE  12           H        ILE  12  -6.831   1.456  -8.250
   95    HA   ILE  12           HA       ILE  12  -5.500   3.009  -6.237
   96    HB   ILE  12           HB       ILE  12  -4.659   0.433  -7.607
   97   1HG1  ILE  12          2HG       ILE  12  -5.814   0.306  -4.872
   98   2HG1  ILE  12          3HG       ILE  12  -6.893   1.070  -5.977
   99   1HG2  ILE  12          1HG       ILE  12  -3.777   0.579  -4.828
  100   2HG2  ILE  12          2HG       ILE  12  -2.830   0.368  -6.290
  101   3HG2  ILE  12          3HG       ILE  12  -3.202   2.004  -5.666
  102   1HD1  ILE  12          1HD       ILE  12  -5.583  -1.625  -6.276
  103   2HD1  ILE  12          2HD       ILE  12  -7.344  -1.251  -6.157
  104   3HD1  ILE  12          3HD       ILE  12  -6.425  -0.846  -7.608
  105    H    LYS  13           H        LYS  13  -4.932   2.506  -9.656
  106    HA   LYS  13           HA       LYS  13  -2.311   3.801  -9.693
  107   1HB   LYS  13          2HB       LYS  13  -4.246   2.796 -11.792
  108   2HB   LYS  13          3HB       LYS  13  -2.738   3.612 -12.217
  109   1HG   LYS  13          2HG       LYS  13  -1.417   1.851 -11.619
  110   2HG   LYS  13          3HG       LYS  13  -2.351   1.496 -10.177
  111   1HD   LYS  13          2HD       LYS  13  -3.317  -0.244 -11.121
  112   2HD   LYS  13          3HD       LYS  13  -3.952   0.752 -12.450
  113   1HE   LYS  13          2HE       LYS  13  -1.620   0.541 -13.491
  114   2HE   LYS  13          3HE       LYS  13  -1.309  -0.735 -12.299
  115   1HZ   LYS  13          1HZ       LYS  13  -3.764  -0.917 -13.849
  116   2HZ   LYS  13          2HZ       LYS  13  -2.364  -1.214 -14.653
  117   3HZ   LYS  13          3HZ       LYS  13  -2.759  -2.120 -13.338
  118    H    LYS  14           H        LYS  14  -5.610   4.888  -9.620
  119    HA   LYS  14           HA       LYS  14  -5.022   7.571 -10.619
  120   1HB   LYS  14          2HB       LYS  14  -7.425   6.044  -9.687
  121   2HB   LYS  14          3HB       LYS  14  -7.433   7.739  -9.275
  122   1HG   LYS  14          2HG       LYS  14  -6.880   8.190 -11.750
  123   2HG   LYS  14          3HG       LYS  14  -7.313   6.483 -12.022
  124   1HD   LYS  14          2HD       LYS  14  -9.512   6.896 -10.901
  125   2HD   LYS  14          3HD       LYS  14  -9.085   8.598 -10.684
  126   1HE   LYS  14          2HE       LYS  14  -9.271   7.174 -13.374
  127   2HE   LYS  14          3HE       LYS  14 -10.568   8.141 -12.655
  128   1HZ   LYS  14          1HZ       LYS  14  -9.624   9.907 -13.541
  129   2HZ   LYS  14          2HZ       LYS  14  -8.283   9.693 -12.611
  130   3HZ   LYS  14          3HZ       LYS  14  -8.354   9.030 -14.116
  131    H    HIS  15           H        HIS  15  -3.881   6.136  -7.888
  132    HA   HIS  15           HA       HIS  15  -4.122   8.719  -6.400
  133   1HB   HIS  15          2HB       HIS  15  -3.589   5.914  -5.362
  134   2HB   HIS  15          3HB       HIS  15  -3.453   7.392  -4.392
  135    HD1  HIS  15           HD1      HIS  15  -5.757   8.821  -4.021
  136    HD2  HIS  15           HD2      HIS  15  -6.128   5.061  -5.872
  137    HE1  HIS  15           HE1      HIS  15  -8.236   8.170  -3.933
  138    H    ASN  16           H        ASN  16  -1.568   7.144  -5.080
  139    HA   ASN  16           HA       ASN  16   0.604   7.663  -5.106
  140   1HB   ASN  16          2HB       ASN  16   1.838   6.772  -7.052
  141   2HB   ASN  16          3HB       ASN  16   0.553   5.694  -6.507
  142   1HD2  ASN  16          1HD       ASN  16  -1.375   5.351  -7.868
  143   2HD2  ASN  16          2HD       ASN  16  -1.304   5.957  -9.522
  144    H    HIS  17           H        HIS  17  -0.539  10.032  -5.101
  145    HA   HIS  17           HA       HIS  17   0.915  11.638  -7.169
  146   1HB   HIS  17          2HB       HIS  17  -1.606  12.312  -5.634
  147   2HB   HIS  17          3HB       HIS  17  -0.769  13.387  -6.756
  148    HD1  HIS  17           HD1      HIS  17  -0.503  11.961  -9.378
  149    HD2  HIS  17           HD2      HIS  17  -3.569  11.059  -6.645
  150    HE1  HIS  17           HE1      HIS  17  -2.406  10.926 -10.728
  151    H    SER  18           H        SER  18  -0.452  12.686  -4.084
  152    HA   SER  18           HA       SER  18   2.150  13.167  -2.826
  153   1HB   SER  18          2HB       SER  18   1.945  15.058  -4.483
  154   2HB   SER  18          3HB       SER  18   0.438  15.544  -3.685
  155    HG   SER  18           HG       SER  18   2.916  16.182  -3.044
  156    H    LYS  19           H        LYS  19  -1.407  13.669  -2.877
  157    HA   LYS  19           HA       LYS  19  -1.422  13.594   0.098
  158   1HB   LYS  19          2HB       LYS  19  -2.968  15.159  -1.935
  159   2HB   LYS  19          3HB       LYS  19  -3.929  14.425  -0.675
  160   1HG   LYS  19          2HG       LYS  19  -3.411  16.573   0.113
  161   2HG   LYS  19          3HG       LYS  19  -2.417  15.471   1.059
  162   1HD   LYS  19          2HD       LYS  19  -1.024  16.382  -1.371
  163   2HD   LYS  19          3HD       LYS  19  -1.577  17.746  -0.393
  164   1HE   LYS  19          2HE       LYS  19  -0.348  17.089   1.500
  165   2HE   LYS  19          3HE       LYS  19  -0.127  15.429   0.914
  166   1HZ   LYS  19          1HZ       LYS  19   1.088  17.753  -0.423
  167   2HZ   LYS  19          2HZ       LYS  19   1.857  16.851   0.721
  168   3HZ   LYS  19          3HZ       LYS  19   1.398  16.155  -0.692
  169    H    SER  20           H        SER  20  -1.422  11.407  -2.250
  170    HA   SER  20           HA       SER  20  -3.120   9.640  -0.743
  171   1HB   SER  20          2HB       SER  20  -4.510   8.894  -2.534
  172   2HB   SER  20          3HB       SER  20  -4.816  10.603  -2.208
  173    HG   SER  20           HG       SER  20  -3.012   9.830  -4.226
  174    H    THR  21           H        THR  21  -1.802   7.908  -0.569
  175    HA   THR  21           HA       THR  21  -0.114   7.067  -2.849
  176    HB   THR  21           HB       THR  21   0.734   7.213   0.068
  177    HG1  THR  21          1HG       THR  21   2.109   8.917  -0.863
  178   1HG2  THR  21          1HG       THR  21   1.954   5.508  -1.027
  179   2HG2  THR  21          2HG       THR  21   2.054   6.422  -2.543
  180   3HG2  THR  21          3HG       THR  21   3.012   6.928  -1.137
  181    H    TRP  22           H        TRP  22  -1.499   5.360  -3.326
  182    HA   TRP  22           HA       TRP  22  -2.141   3.482  -1.131
  183   1HB   TRP  22          2HB       TRP  22  -3.165   3.756  -3.979
  184   2HB   TRP  22          3HB       TRP  22  -3.576   2.417  -2.907
  185    HD1  TRP  22           HD1      TRP  22  -3.497   5.528  -0.896
  186    HE1  TRP  22           HE1      TRP  22  -5.784   6.373  -0.422
  187    HE3  TRP  22           HE3      TRP  22  -6.070   2.581  -4.180
  188    HZ2  TRP  22           HZ2      TRP  22  -8.486   5.981  -1.457
  189    HZ3  TRP  22           HZ3      TRP  22  -8.509   2.905  -4.485
  190    HH2  TRP  22           HH2      TRP  22  -9.704   4.642  -3.152
  191    H    LEU  23           H        LEU  23  -1.871   1.131  -1.860
  192    HA   LEU  23           HA       LEU  23  -0.070   0.522  -4.001
  193   1HB   LEU  23          2HB       LEU  23   1.753  -0.405  -2.509
  194   2HB   LEU  23          3HB       LEU  23   1.667   1.330  -2.670
  195    HG   LEU  23           HG       LEU  23   0.408   1.389  -0.420
  196   1HD1  LEU  23          1HD       LEU  23   1.608  -1.372  -0.304
  197   2HD1  LEU  23          2HD       LEU  23   0.844  -0.510   1.055
  198   3HD1  LEU  23          3HD       LEU  23  -0.116  -1.050  -0.336
  199   1HD2  LEU  23          1HD       LEU  23   2.421   2.073   0.288
  200   2HD2  LEU  23          2HD       LEU  23   3.025   0.403   0.367
  201   3HD2  LEU  23          3HD       LEU  23   3.188   1.345  -1.113
  202    H    ILE  24           H        ILE  24   0.496  -1.900  -3.847
  203    HA   ILE  24           HA       ILE  24  -1.939  -3.274  -2.840
  204    HB   ILE  24           HB       ILE  24  -0.202  -3.724  -5.329
  205   1HG1  ILE  24          2HG       ILE  24  -3.174  -3.217  -5.174
  206   2HG1  ILE  24          3HG       ILE  24  -2.029  -1.882  -5.243
  207   1HG2  ILE  24          1HG       ILE  24  -2.020  -5.564  -5.741
  208   2HG2  ILE  24          2HG       ILE  24  -0.700  -5.920  -4.633
  209   3HG2  ILE  24          3HG       ILE  24  -2.277  -5.463  -3.977
  210   1HD1  ILE  24          1HD       ILE  24  -1.127  -2.657  -7.370
  211   2HD1  ILE  24          2HD       ILE  24  -2.227  -4.055  -7.364
  212   3HD1  ILE  24          3HD       ILE  24  -2.880  -2.410  -7.479
  213    H    LEU  25           H        LEU  25  -0.938  -3.928  -0.841
  214    HA   LEU  25           HA       LEU  25   1.537  -5.552  -1.088
  215   1HB   LEU  25          2HB       LEU  25   0.361  -3.844   1.103
  216   2HB   LEU  25          3HB       LEU  25   1.309  -5.256   1.582
  217    HG   LEU  25           HG       LEU  25   2.360  -3.296  -0.458
  218   1HD1  LEU  25          1HD       LEU  25   3.293  -3.230   2.413
  219   2HD1  LEU  25          2HD       LEU  25   3.326  -1.953   1.184
  220   3HD1  LEU  25          3HD       LEU  25   1.807  -2.356   1.993
  221   1HD2  LEU  25          1HD       LEU  25   4.485  -4.243   0.128
  222   2HD2  LEU  25          2HD       LEU  25   3.746  -5.229   1.424
  223   3HD2  LEU  25          3HD       LEU  25   3.341  -5.541  -0.259
  224    H    HIS  26           H        HIS  26   0.853  -7.567  -1.608
  225    HA   HIS  26           HA       HIS  26  -0.174  -9.601  -1.343
  226   1HB   HIS  26          2HB       HIS  26  -1.070  -8.762   1.443
  227   2HB   HIS  26          3HB       HIS  26  -0.837 -10.372   0.817
  228    HD1  HIS  26           HD1      HIS  26   1.739 -11.248   0.771
  229    HD2  HIS  26           HD2      HIS  26   1.044  -7.401   2.332
  230    HE1  HIS  26           HE1      HIS  26   3.872 -10.561   2.010
  231    H    HIS  27           H        HIS  27  -1.697  -8.660  -3.024
  232    HA   HIS  27           HA       HIS  27  -3.738  -8.070  -3.840
  233   1HB   HIS  27          2HB       HIS  27  -5.327  -9.900  -3.650
  234   2HB   HIS  27          3HB       HIS  27  -3.694 -10.498  -3.882
  235    HD1  HIS  27           HD1      HIS  27  -6.617 -10.859  -1.600
  236    HD2  HIS  27           HD2      HIS  27  -2.459 -11.512  -1.527
  237    HE1  HIS  27           HE1      HIS  27  -6.154 -12.549   0.289
  238    H    LYS  28           H        LYS  28  -3.387  -6.321  -1.775
  239    HA   LYS  28           HA       LYS  28  -6.146  -5.828  -0.920
  240   1HB   LYS  28          2HB       LYS  28  -3.784  -6.393   0.849
  241   2HB   LYS  28          3HB       LYS  28  -4.847  -5.073   1.332
  242   1HG   LYS  28          2HG       LYS  28  -6.402  -6.479   2.119
  243   2HG   LYS  28          3HG       LYS  28  -6.480  -7.350   0.603
  244   1HD   LYS  28          2HD       LYS  28  -4.897  -8.915   1.191
  245   2HD   LYS  28          3HD       LYS  28  -4.169  -7.899   2.464
  246   1HE   LYS  28          2HE       LYS  28  -5.944  -8.261   3.950
  247   2HE   LYS  28          3HE       LYS  28  -7.039  -8.829   2.674
  248   1HZ   LYS  28          1HZ       LYS  28  -5.944 -10.834   2.542
  249   2HZ   LYS  28          2HZ       LYS  28  -4.583 -10.307   3.285
  250   3HZ   LYS  28          3HZ       LYS  28  -5.957 -10.563   4.168
  251    H    VAL  29           H        VAL  29  -6.316  -3.469  -0.200
  252    HA   VAL  29           HA       VAL  29  -4.361  -1.849  -1.739
  253    HB   VAL  29           HB       VAL  29  -7.315  -1.945  -1.436
  254   1HG1  VAL  29          1HG       VAL  29  -7.350   0.428  -2.510
  255   2HG1  VAL  29          2HG       VAL  29  -7.216   0.160  -0.778
  256   3HG1  VAL  29          3HG       VAL  29  -5.760   0.597  -1.718
  257   1HG2  VAL  29          1HG       VAL  29  -6.700  -2.900  -3.401
  258   2HG2  VAL  29          2HG       VAL  29  -7.266  -1.293  -3.839
  259   3HG2  VAL  29          3HG       VAL  29  -5.513  -1.611  -3.779
  260    H    TYR  30           H        TYR  30  -3.024  -0.931  -0.257
  261    HA   TYR  30           HA       TYR  30  -4.172  -0.042   2.316
  262   1HB   TYR  30          2HB       TYR  30  -1.432  -0.835   1.309
  263   2HB   TYR  30          3HB       TYR  30  -1.728  -0.091   2.845
  264    HD1  TYR  30           HD1      TYR  30  -2.847  -1.292   4.669
  265    HD2  TYR  30           HD2      TYR  30  -2.048  -3.225   0.917
  266    HE1  TYR  30           HE1      TYR  30  -3.111  -3.575   5.729
  267    HE2  TYR  30           HE2      TYR  30  -2.243  -5.428   2.060
  268    HH   TYR  30           HH       TYR  30  -2.193  -6.525   4.106
  269    H    ASP  31           H        ASP  31  -3.742   2.141   2.904
  270    HA   ASP  31           HA       ASP  31  -2.669   4.012   0.885
  271   1HB   ASP  31          2HB       ASP  31  -5.094   4.395   1.195
  272   2HB   ASP  31          3HB       ASP  31  -4.871   4.425   2.949
  273    H    LEU  32           H        LEU  32  -0.703   4.442   1.674
  274    HA   LEU  32           HA       LEU  32  -0.504   4.766   4.639
  275   1HB   LEU  32          2HB       LEU  32   2.073   4.481   3.415
  276   2HB   LEU  32          3HB       LEU  32   1.329   3.621   4.754
  277    HG   LEU  32           HG       LEU  32   0.985   2.838   1.847
  278   1HD1  LEU  32          1HD       LEU  32   2.801   1.797   4.064
  279   2HD1  LEU  32          2HD       LEU  32   2.534   0.995   2.496
  280   3HD1  LEU  32          3HD       LEU  32   3.304   2.575   2.546
  281   1HD2  LEU  32          1HD       LEU  32   0.399   0.618   3.186
  282   2HD2  LEU  32          2HD       LEU  32   0.027   1.754   4.494
  283   3HD2  LEU  32          3HD       LEU  32  -0.834   1.871   2.968
  284    H    THR  33           H        THR  33  -1.374   6.625   2.346
  285    HA   THR  33           HA       THR  33   0.525   8.632   1.776
  286    HB   THR  33           HB       THR  33  -2.126   8.199   1.311
  287    HG1  THR  33          1HG       THR  33  -0.279   9.344   0.130
  288   1HG2  THR  33          1HG       THR  33  -1.796  10.804   2.748
  289   2HG2  THR  33          2HG       THR  33  -3.209  10.309   1.781
  290   3HG2  THR  33          3HG       THR  33  -2.837   9.429   3.269
  291    H    LYS  34           H        LYS  34  -1.592   8.339   4.702
  292    HA   LYS  34           HA       LYS  34  -0.422  10.734   5.822
  293   1HB   LYS  34          2HB       LYS  34  -2.129  10.558   7.300
  294   2HB   LYS  34          3HB       LYS  34  -2.754   9.395   6.166
  295   1HG   LYS  34          2HG       LYS  34  -2.954   8.141   8.054
  296   2HG   LYS  34          3HG       LYS  34  -1.325   7.661   7.623
  297   1HD   LYS  34          2HD       LYS  34  -0.836   9.962   9.130
  298   2HD   LYS  34          3HD       LYS  34  -2.343   9.406   9.848
  299   1HE   LYS  34          2HE       LYS  34  -1.217   7.104  10.087
  300   2HE   LYS  34          3HE       LYS  34   0.296   7.900   9.610
  301   1HZ   LYS  34          1HZ       LYS  34   0.195   9.279  11.474
  302   2HZ   LYS  34          2HZ       LYS  34  -1.294   8.688  11.977
  303   3HZ   LYS  34          3HZ       LYS  34   0.111   7.783  11.946
  304    H    PHE  35           H        PHE  35   0.661   7.566   5.545
  305    HA   PHE  35           HA       PHE  35   2.276   7.474   7.976
  306   1HB   PHE  35          2HB       PHE  35   0.854   5.534   7.167
  307   2HB   PHE  35          3HB       PHE  35   1.889   5.452   5.765
  308    HD1  PHE  35          1HD       PHE  35   2.723   5.807   9.424
  309    HD2  PHE  35          2HD       PHE  35   3.207   3.557   5.768
  310    HE1  PHE  35          1HE       PHE  35   4.424   4.368  10.507
  311    HE2  PHE  35          2HE       PHE  35   4.782   2.075   6.868
  312    HZ   PHE  35           HZ       PHE  35   5.528   2.582   9.222
  313    H    LEU  36           H        LEU  36   2.520   8.231   4.575
  314    HA   LEU  36           HA       LEU  36   5.142   7.645   3.890
  315   1HB   LEU  36          2HB       LEU  36   3.223   9.958   3.394
  316   2HB   LEU  36          3HB       LEU  36   4.841  10.136   2.859
  317    HG   LEU  36           HG       LEU  36   3.069   9.309   1.151
  318   1HD1  LEU  36          1HD       LEU  36   5.637   7.856   1.586
  319   2HD1  LEU  36          2HD       LEU  36   4.779   7.992   0.021
  320   3HD1  LEU  36          3HD       LEU  36   5.457   9.444   0.770
  321   1HD2  LEU  36          1HD       LEU  36   3.410   6.649   1.031
  322   2HD2  LEU  36          2HD       LEU  36   3.460   6.809   2.777
  323   3HD2  LEU  36          3HD       LEU  36   2.064   7.354   1.830
  324    H    GLU  37           H        GLU  37   4.136  10.715   5.432
  325    HA   GLU  37           HA       GLU  37   6.839  11.339   6.275
  326   1HB   GLU  37          2HB       GLU  37   4.089  12.557   6.599
  327   2HB   GLU  37          3HB       GLU  37   5.465  13.245   7.459
  328   1HG   GLU  37          2HG       GLU  37   5.676  12.714   4.474
  329   2HG   GLU  37          3HG       GLU  37   4.826  14.138   5.071
  330    H    GLU  38           H        GLU  38   5.453   8.781   7.390
  331    HA   GLU  38           HA       GLU  38   6.403   9.227  10.134
  332   1HB   GLU  38          2HB       GLU  38   3.976   9.475  10.154
  333   2HB   GLU  38          3HB       GLU  38   3.791   7.961   9.263
  334   1HG   GLU  38          2HG       GLU  38   4.393   6.633  11.052
  335   2HG   GLU  38          3HG       GLU  38   5.244   7.950  11.889
  336    H    HIS  39           HN       HIS  39   6.496   7.191   7.322
  337    HA   HIS  39           HA       HIS  39   6.632   4.748   8.660
  338   1HB   HIS  39          2HB       HIS  39   5.976   4.680   6.403
  339   2HB   HIS  39          3HB       HIS  39   7.274   5.671   5.888
  340    HD1  HIS  39           HND      HIS  39   9.093   4.370   4.651
  341    HD2  HIS  39           HD       HIS  39   6.894   2.013   7.321
  342    HE1  HIS  39           HE       HIS  39   9.814   1.981   4.245
  343    HA   PRO  40           HA       PRO  40  10.606   5.531  10.335
  344   1HB   PRO  40          2HB       PRO  40  11.126   3.128  11.560
  345   2HB   PRO  40          3HB       PRO  40   9.946   4.332  12.154
  346   1HG   PRO  40          2HG       PRO  40   9.415   1.815  10.608
  347   2HG   PRO  40          3HG       PRO  40   8.470   2.529  11.948
  348   1HD   PRO  40          2HD       PRO  40   7.868   2.760   9.253
  349   2HD   PRO  40          3HD       PRO  40   7.351   3.935  10.504
  350    H    GLY  41           H        GLY  41  11.525   5.823   8.226
  351   1HA   GLY  41          2HA       GLY  41  13.843   4.509   7.588
  352   2HA   GLY  41          3HA       GLY  41  12.589   3.565   6.750
  353    H    GLY  42           H        GLY  42  10.829   5.138   5.684
  354   1HA   GLY  42          2HA       GLY  42  11.897   7.551   4.568
  355   2HA   GLY  42          3HA       GLY  42  11.920   6.223   3.389
  356    H    GLU  43           H        GLU  43  10.501   7.659   2.463
  357    HA   GLU  43           HA       GLU  43   7.584   7.179   2.797
  358   1HB   GLU  43          2HB       GLU  43   7.364   9.576   1.927
  359   2HB   GLU  43          3HB       GLU  43   7.876   9.362   3.593
  360   1HG   GLU  43          2HG       GLU  43  10.197   9.848   3.049
  361   2HG   GLU  43          3HG       GLU  43   9.804  10.021   1.336
  362    H    GLU  44           H        GLU  44  10.077   8.334   0.738
  363    HA   GLU  44           HA       GLU  44   8.620   8.294  -1.747
  364   1HB   GLU  44          2HB       GLU  44  10.868   9.466  -1.534
  365   2HB   GLU  44          3HB       GLU  44  11.624   7.876  -1.685
  366   1HG   GLU  44          2HG       GLU  44  11.531   8.082  -3.933
  367   2HG   GLU  44          3HG       GLU  44   9.787   7.975  -3.853
  368    H    VAL  45           H        VAL  45  10.494   5.755  -0.121
  369    HA   VAL  45           HA       VAL  45  10.273   3.725  -2.093
  370    HB   VAL  45           HB       VAL  45   9.987   2.274   0.079
  371   1HG1  VAL  45          1HG       VAL  45  12.617   3.242   0.479
  372   2HG1  VAL  45          2HG       VAL  45  12.096   1.891  -0.540
  373   3HG1  VAL  45          3HG       VAL  45  12.265   3.509  -1.236
  374   1HG2  VAL  45          1HG       VAL  45   9.418   4.421   1.473
  375   2HG2  VAL  45          2HG       VAL  45  10.468   3.174   2.147
  376   3HG2  VAL  45          3HG       VAL  45  11.171   4.662   1.492
  377    H    LEU  46           H        LEU  46   7.759   4.905   0.378
  378    HA   LEU  46           HA       LEU  46   5.965   2.884  -0.565
  379   1HB   LEU  46          2HB       LEU  46   5.178   5.573   0.529
  380   2HB   LEU  46          3HB       LEU  46   4.334   4.027   0.680
  381    HG   LEU  46           HG       LEU  46   6.813   5.037   2.120
  382   1HD1  LEU  46          1HD       LEU  46   4.963   3.621   3.806
  383   2HD1  LEU  46          2HD       LEU  46   5.429   5.327   3.819
  384   3HD1  LEU  46          3HD       LEU  46   4.088   4.780   2.804
  385   1HD2  LEU  46          1HD       LEU  46   6.820   2.639   3.192
  386   2HD2  LEU  46          2HD       LEU  46   6.101   2.156   1.639
  387   3HD2  LEU  46          3HD       LEU  46   7.691   2.952   1.708
  388    H    ARG  47           H        ARG  47   6.882   6.030  -1.929
  389    HA   ARG  47           HA       ARG  47   4.589   6.080  -3.726
  390   1HB   ARG  47          2HB       ARG  47   5.739   8.111  -2.767
  391   2HB   ARG  47          3HB       ARG  47   7.061   7.831  -3.918
  392   1HG   ARG  47          2HG       ARG  47   5.618   8.187  -5.804
  393   2HG   ARG  47          3HG       ARG  47   4.162   7.948  -4.834
  394   1HD   ARG  47          2HD       ARG  47   4.029  10.202  -4.848
  395   2HD   ARG  47          3HD       ARG  47   5.168  10.095  -3.516
  396    HE   ARG  47           HE       ARG  47   6.863  10.920  -4.861
  397   1HH1  ARG  47          2HH       ARG  47   4.099   9.956  -6.903
  398   2HH1  ARG  47          1HH       ARG  47   4.720  10.666  -8.336
  399   1HH2  ARG  47          2HH       ARG  47   7.615  11.998  -6.723
  400   2HH2  ARG  47          1HH       ARG  47   6.736  11.961  -8.219
  401    H    GLU  48           H        GLU  48   7.850   4.802  -3.883
  402    HA   GLU  48           HA       GLU  48   8.060   4.635  -6.774
  403   1HB   GLU  48          2HB       GLU  48   9.560   3.709  -4.330
  404   2HB   GLU  48          3HB       GLU  48   9.839   2.810  -5.805
  405   1HG   GLU  48          2HG       GLU  48   9.912   5.748  -6.222
  406   2HG   GLU  48          3HG       GLU  48  11.110   5.174  -5.062
  407    H    GLN  49           H        GLN  49   6.510   2.770  -4.276
  408    HA   GLN  49           HA       GLN  49   5.925   0.619  -6.275
  409   1HB   GLN  49          2HB       GLN  49   5.745   0.530  -3.260
  410   2HB   GLN  49          3HB       GLN  49   5.640  -0.820  -4.414
  411   1HG   GLN  49          2HG       GLN  49   8.136   0.853  -3.846
  412   2HG   GLN  49          3HG       GLN  49   7.786  -0.749  -3.220
  413   1HE2  GLN  49          1HE       GLN  49   9.986   0.350  -5.137
  414   2HE2  GLN  49          2HE       GLN  49   9.907  -0.862  -6.403
  415    H    ALA  50           H        ALA  50   4.631   3.408  -5.155
  416    HA   ALA  50           HA       ALA  50   2.094   2.620  -4.198
  417   1HB   ALA  50          1HB       ALA  50   2.864   5.188  -5.627
  418   2HB   ALA  50          2HB       ALA  50   1.376   4.927  -4.669
  419   3HB   ALA  50          3HB       ALA  50   2.931   4.872  -3.875
  420    H    GLY  51           H        GLY  51   0.049   2.653  -5.217
  421   1HA   GLY  51          2HA       GLY  51  -1.430   1.905  -6.857
  422   2HA   GLY  51          3HA       GLY  51  -0.458   2.862  -7.967
  423    H    GLY  52           H        GLY  52   1.258   0.253  -6.223
  424   1HA   GLY  52          2HA       GLY  52   1.055  -1.654  -8.434
  425   2HA   GLY  52          3HA       GLY  52   2.591  -0.805  -8.143
  426    H    ASP  53           H        ASP  53   2.781  -3.446  -7.878
  427    HA   ASP  53           HA       ASP  53   2.089  -4.440  -5.312
  428   1HB   ASP  53          2HB       ASP  53   3.757  -6.304  -6.369
  429   2HB   ASP  53          3HB       ASP  53   2.036  -6.167  -6.702
  430    H    ALA  54           H        ALA  54   3.090  -3.185  -3.752
  431    HA   ALA  54           HA       ALA  54   6.007  -2.881  -3.825
  432   1HB   ALA  54          1HB       ALA  54   4.356  -2.402  -1.338
  433   2HB   ALA  54          2HB       ALA  54   5.774  -1.539  -1.966
  434   3HB   ALA  54          3HB       ALA  54   4.190  -1.298  -2.716
  435    H    THR  55           H        THR  55   3.967  -5.481  -3.057
  436    HA   THR  55           HA       THR  55   4.995  -6.550  -0.744
  437    HB   THR  55           HB       THR  55   4.342  -8.306  -3.121
  438    HG1  THR  55          1HG       THR  55   2.644  -7.065  -3.428
  439   1HG2  THR  55          1HG       THR  55   3.116  -8.332  -0.376
  440   2HG2  THR  55          2HG       THR  55   3.382  -9.697  -1.497
  441   3HG2  THR  55          3HG       THR  55   4.748  -8.992  -0.602
  442    H    GLU  56           H        GLU  56   6.473  -6.654  -3.979
  443    HA   GLU  56           HA       GLU  56   8.457  -8.616  -3.426
  444   1HB   GLU  56          2HB       GLU  56   7.893  -6.522  -5.413
  445   2HB   GLU  56          3HB       GLU  56   9.614  -6.647  -5.111
  446   1HG   GLU  56          2HG       GLU  56   7.875  -9.094  -5.660
  447   2HG   GLU  56          3HG       GLU  56   8.544  -8.121  -6.968
  448    H    ASN  57           H        ASN  57   8.417  -5.069  -2.791
  449    HA   ASN  57           HA       ASN  57  11.080  -5.053  -1.626
  450   1HB   ASN  57          2HB       ASN  57   8.755  -3.117  -1.793
  451   2HB   ASN  57          3HB       ASN  57   9.971  -2.871  -0.546
  452   1HD2  ASN  57          1HD       ASN  57  12.007  -2.045  -1.079
  453   2HD2  ASN  57          2HD       ASN  57  12.425  -1.674  -2.745
  454    H    PHE  58           H        PHE  58   7.847  -4.797  -0.252
  455    HA   PHE  58           HA       PHE  58   8.441  -4.849   2.471
  456   1HB   PHE  58          2HB       PHE  58   6.207  -4.654   1.386
  457   2HB   PHE  58          3HB       PHE  58   6.147  -6.414   1.265
  458    HD1  PHE  58          1HD       PHE  58   5.685  -7.773   3.257
  459    HD2  PHE  58          2HD       PHE  58   6.090  -3.494   3.546
  460    HE1  PHE  58          1HE       PHE  58   4.774  -7.835   5.542
  461    HE2  PHE  58          2HE       PHE  58   5.164  -3.555   5.845
  462    HZ   PHE  58           HZ       PHE  58   4.509  -5.713   6.859
  463    H    GLU  59           H        GLU  59   8.414  -7.764   0.355
  464    HA   GLU  59           HA       GLU  59   9.107  -9.544   2.579
  465   1HB   GLU  59          2HB       GLU  59   8.592  -9.744  -0.381
  466   2HB   GLU  59          3HB       GLU  59   9.548 -11.006   0.363
  467   1HG   GLU  59          2HG       GLU  59   6.948 -10.172   1.675
  468   2HG   GLU  59          3HG       GLU  59   6.905 -11.206   0.247
  469    H    ASP  60           H        ASP  60  10.815  -7.846  -0.107
  470    HA   ASP  60           HA       ASP  60  13.276  -9.173   0.045
  471   1HB   ASP  60          2HB       ASP  60  12.536  -7.359  -1.618
  472   2HB   ASP  60          3HB       ASP  60  12.941  -6.171  -0.377
  473    H    VAL  61           H        VAL  61  12.010  -6.443   1.934
  474    HA   VAL  61           HA       VAL  61  14.361  -6.547   3.689
  475    HB   VAL  61           HB       VAL  61  13.462  -4.521   4.735
  476   1HG1  VAL  61          1HG       VAL  61  13.368  -4.442   1.704
  477   2HG1  VAL  61          2HG       VAL  61  12.944  -3.020   2.667
  478   3HG1  VAL  61          3HG       VAL  61  14.545  -3.733   2.830
  479   1HG2  VAL  61          1HG       VAL  61  11.087  -3.966   3.250
  480   2HG2  VAL  61          2HG       VAL  61  10.954  -5.615   3.836
  481   3HG2  VAL  61          3HG       VAL  61  11.292  -4.309   4.988
  482    H    GLY  62           H        GLY  62  11.127  -7.910   3.895
  483   1HA   GLY  62          2HA       GLY  62  10.823  -9.781   5.247
  484   2HA   GLY  62          3HA       GLY  62  12.489  -9.587   5.857
  485    H    HIS  63           HN       HIS  63   9.582  -7.548   5.728
  486    HA   HIS  63           HA       HIS  63  10.272  -5.890   7.752
  487   1HB   HIS  63          2HB       HIS  63   7.699  -6.648   6.406
  488   2HB   HIS  63          3HB       HIS  63   7.513  -5.762   7.889
  489    HD1  HIS  63           HND      HIS  63   8.897  -5.329   4.416
  490    HD2  HIS  63           HD       HIS  63   8.048  -3.128   7.875
  491    HE1  HIS  63           HE       HIS  63   8.988  -2.903   3.729
  492    H    SER  64           H        SER  64   9.307  -5.453   9.901
  493    HA   SER  64           HA       SER  64   9.328  -7.746  11.634
  494   1HB   SER  64          2HB       SER  64   8.661  -5.848  13.270
  495   2HB   SER  64          3HB       SER  64  10.237  -5.712  12.461
  496    HG   SER  64           HG       SER  64   8.810  -3.791  12.431
  497    H    THR  65           H        THR  65   7.530  -8.316  13.104
  498    HA   THR  65           HA       THR  65   5.103  -8.685  11.819
  499    HB   THR  65           HB       THR  65   5.876  -8.751  14.764
  500    HG1  THR  65          1HG       THR  65   6.294 -10.938  14.193
  501   1HG2  THR  65          1HG       THR  65   3.467  -8.879  14.563
  502   2HG2  THR  65          2HG       THR  65   3.590 -10.024  13.205
  503   3HG2  THR  65          3HG       THR  65   4.078 -10.520  14.848
  504    H    ASP  66           H        ASP  66   5.964  -6.198  14.380
  505    HA   ASP  66           HA       ASP  66   3.508  -4.952  14.536
  506   1HB   ASP  66          2HB       ASP  66   6.318  -3.780  14.560
  507   2HB   ASP  66          3HB       ASP  66   4.872  -2.879  15.030
  508    H    ALA  67           H        ALA  67   5.854  -4.790  11.872
  509    HA   ALA  67           HA       ALA  67   4.533  -2.510  10.611
  510   1HB   ALA  67          1HB       ALA  67   6.258  -4.537   9.189
  511   2HB   ALA  67          2HB       ALA  67   6.049  -2.815   8.876
  512   3HB   ALA  67          3HB       ALA  67   6.989  -3.346  10.294
  513    H    ARG  68           H        ARG  68   4.374  -6.079  10.451
  514    HA   ARG  68           HA       ARG  68   2.732  -6.245   8.172
  515   1HB   ARG  68          2HB       ARG  68   3.520  -8.067  10.230
  516   2HB   ARG  68          3HB       ARG  68   1.822  -8.295   9.807
  517   1HG   ARG  68          2HG       ARG  68   2.240  -8.963   7.710
  518   2HG   ARG  68          3HG       ARG  68   3.494  -7.795   7.398
  519   1HD   ARG  68          2HD       ARG  68   5.037  -9.285   7.477
  520   2HD   ARG  68          3HD       ARG  68   4.761  -9.464   9.203
  521    HE   ARG  68           HE       ARG  68   3.923 -11.519   8.773
  522   1HH1  ARG  68          2HH       ARG  68   3.423  -9.564   5.850
  523   2HH1  ARG  68          1HH       ARG  68   2.687 -10.807   4.928
  524   1HH2  ARG  68          2HH       ARG  68   2.938 -13.215   7.559
  525   2HH2  ARG  68          1HH       ARG  68   2.414 -12.957   5.932
  526    H    GLU  69           H        GLU  69   2.173  -4.975  11.504
  527    HA   GLU  69           HA       GLU  69  -0.736  -5.337  11.516
  528   1HB   GLU  69          2HB       GLU  69   1.083  -4.047  13.595
  529   2HB   GLU  69          3HB       GLU  69  -0.636  -4.337  13.740
  530   1HG   GLU  69          2HG       GLU  69   0.248  -6.855  13.041
  531   2HG   GLU  69          3HG       GLU  69   1.640  -6.239  13.940
  532    H    LEU  70           H        LEU  70   1.552  -2.426  11.526
  533    HA   LEU  70           HA       LEU  70  -0.429  -0.494  11.643
  534   1HB   LEU  70          2HB       LEU  70   2.309  -0.767  10.434
  535   2HB   LEU  70          3HB       LEU  70   1.412   0.701  10.168
  536    HG   LEU  70           HG       LEU  70   1.640  -0.309  12.974
  537   1HD1  LEU  70          1HD       LEU  70   3.878   0.906  13.146
  538   2HD1  LEU  70          2HD       LEU  70   3.929  -0.630  12.263
  539   3HD1  LEU  70          3HD       LEU  70   3.936   0.909  11.368
  540   1HD2  LEU  70          1HD       LEU  70   2.076   2.467  11.866
  541   2HD2  LEU  70          2HD       LEU  70   0.443   1.791  12.062
  542   3HD2  LEU  70          3HD       LEU  70   1.497   1.988  13.485
  543    H    SER  71           H        SER  71   0.469  -2.580   8.885
  544    HA   SER  71           HA       SER  71  -1.015  -1.190   6.793
  545   1HB   SER  71          2HB       SER  71  -0.467  -3.052   5.561
  546   2HB   SER  71          3HB       SER  71   0.773  -3.160   6.813
  547    HG   SER  71           HG       SER  71  -1.264  -4.863   6.296
  548    H    LYS  72           H        LYS  72  -2.015  -3.467   9.297
  549    HA   LYS  72           HA       LYS  72  -4.584  -3.820   8.210
  550   1HB   LYS  72          2HB       LYS  72  -3.362  -5.001  10.143
  551   2HB   LYS  72          3HB       LYS  72  -3.957  -3.690  11.185
  552   1HG   LYS  72          2HG       LYS  72  -6.296  -4.261  10.476
  553   2HG   LYS  72          3HG       LYS  72  -5.629  -5.554   9.463
  554   1HD   LYS  72          2HD       LYS  72  -4.468  -6.359  11.709
  555   2HD   LYS  72          3HD       LYS  72  -5.646  -5.291  12.492
  556   1HE   LYS  72          2HE       LYS  72  -6.676  -7.460  12.408
  557   2HE   LYS  72          3HE       LYS  72  -7.452  -6.475  11.151
  558   1HZ   LYS  72          1HZ       LYS  72  -6.953  -8.322   9.960
  559   2HZ   LYS  72          2HZ       LYS  72  -5.518  -7.546   9.747
  560   3HZ   LYS  72          3HZ       LYS  72  -5.641  -8.733  10.873
  561    H    THR  73           H        THR  73  -3.267  -0.994   9.858
  562    HA   THR  73           HA       THR  73  -5.960   0.202  10.105
  563    HB   THR  73           HB       THR  73  -3.813   0.169  11.759
  564    HG1  THR  73          1HG       THR  73  -5.281   1.039  12.874
  565   1HG2  THR  73          1HG       THR  73  -2.544   1.777  10.235
  566   2HG2  THR  73          2HG       THR  73  -3.751   2.998  10.680
  567   3HG2  THR  73          3HG       THR  73  -2.724   2.252  11.925
  568    H    PHE  74           H        PHE  74  -3.459   0.025   7.848
  569    HA   PHE  74           HA       PHE  74  -4.165   2.508   6.392
  570   1HB   PHE  74          2HB       PHE  74  -2.060   0.396   5.904
  571   2HB   PHE  74          3HB       PHE  74  -2.207   1.923   5.078
  572    HD1  PHE  74          1HD       PHE  74   0.242   0.791   6.481
  573    HD2  PHE  74          2HD       PHE  74  -2.894   3.458   7.824
  574    HE1  PHE  74          1HE       PHE  74   1.798   1.870   8.048
  575    HE2  PHE  74          2HE       PHE  74  -1.347   4.411   9.490
  576    HZ   PHE  74           HZ       PHE  74   0.994   3.596   9.589
  577    H    ILE  75           H        ILE  75  -5.090  -0.921   6.347
  578    HA   ILE  75           HA       ILE  75  -5.557  -1.040   3.561
  579    HB   ILE  75           HB       ILE  75  -5.875  -2.725   5.790
  580   1HG1  ILE  75          2HG       ILE  75  -6.673  -3.390   2.959
  581   2HG1  ILE  75          3HG       ILE  75  -5.013  -3.084   3.370
  582   1HG2  ILE  75          1HG       ILE  75  -8.263  -2.211   6.013
  583   2HG2  ILE  75          2HG       ILE  75  -8.517  -2.550   4.277
  584   3HG2  ILE  75          3HG       ILE  75  -8.047  -3.842   5.393
  585   1HD1  ILE  75          1HD       ILE  75  -5.303  -4.860   5.255
  586   2HD1  ILE  75          2HD       ILE  75  -6.759  -5.353   4.359
  587   3HD1  ILE  75          3HD       ILE  75  -5.164  -5.417   3.592
  588    H    ILE  76           H        ILE  76  -6.669   0.379   2.429
  589    HA   ILE  76           HA       ILE  76  -9.142   1.553   3.628
  590    HB   ILE  76           HB       ILE  76  -9.098   3.177   1.834
  591   1HG1  ILE  76          2HG       ILE  76  -6.714   3.195   0.528
  592   2HG1  ILE  76          3HG       ILE  76  -6.824   1.494   0.779
  593   1HG2  ILE  76          1HG       ILE  76  -7.941   3.622   3.936
  594   2HG2  ILE  76          2HG       ILE  76  -6.444   2.964   3.254
  595   3HG2  ILE  76          3HG       ILE  76  -7.175   4.436   2.558
  596   1HD1  ILE  76          1HD       ILE  76  -7.791   2.410  -1.360
  597   2HD1  ILE  76          2HD       ILE  76  -8.994   1.512  -0.439
  598   3HD1  ILE  76          3HD       ILE  76  -8.992   3.295  -0.408
  599    H    GLY  77           H        GLY  77  -8.202  -1.126   1.751
  600   1HA   GLY  77          2HA       GLY  77 -10.851  -1.844   1.136
  601   2HA   GLY  77          3HA       GLY  77 -10.140  -1.085  -0.294
  602    H    GLU  78           H        GLU  78 -10.502  -3.422  -1.084
  603    HA   GLU  78           HA       GLU  78  -7.930  -4.776  -0.892
  604   1HB   GLU  78          2HB       GLU  78  -9.332  -6.091   0.569
  605   2HB   GLU  78          3HB       GLU  78 -10.657  -6.068  -0.571
  606   1HG   GLU  78          2HG       GLU  78  -8.434  -7.281  -1.945
  607   2HG   GLU  78          3HG       GLU  78  -8.364  -7.878  -0.309
  608    H    LEU  79           H        LEU  79  -7.547  -5.909  -3.034
  609    HA   LEU  79           HA       LEU  79  -8.507  -4.373  -5.225
  610   1HB   LEU  79          2HB       LEU  79  -6.984  -6.992  -4.817
  611   2HB   LEU  79          3HB       LEU  79  -7.666  -6.660  -6.392
  612    HG   LEU  79           HG       LEU  79  -5.495  -5.918  -6.553
  613   1HD1  LEU  79          1HD       LEU  79  -6.948  -3.363  -5.951
  614   2HD1  LEU  79          2HD       LEU  79  -5.675  -3.673  -7.139
  615   3HD1  LEU  79          3HD       LEU  79  -7.308  -4.373  -7.362
  616   1HD2  LEU  79          1HD       LEU  79  -5.185  -3.856  -4.586
  617   2HD2  LEU  79          2HD       LEU  79  -5.587  -5.376  -3.762
  618   3HD2  LEU  79          3HD       LEU  79  -4.224  -5.296  -4.880
  619    H    HIS  80           H        HIS  80  -9.789  -5.026  -6.941
  620    HA   HIS  80           HA       HIS  80 -12.294  -5.936  -6.237
  621   1HB   HIS  80          2HB       HIS  80 -10.841  -5.570  -8.785
  622   2HB   HIS  80          3HB       HIS  80 -12.040  -6.854  -8.879
  623    HD1  HIS  80           HD1      HIS  80 -13.950  -5.639 -10.202
  624    HD2  HIS  80           HD2      HIS  80 -12.495  -3.582  -6.825
  625    HE1  HIS  80           HE1      HIS  80 -15.487  -3.624  -9.839
  626    HA   PRO  81           HA       PRO  81 -12.033 -10.197  -5.600
  627   1HB   PRO  81          2HB       PRO  81 -14.608 -11.048  -6.221
  628   2HB   PRO  81          3HB       PRO  81 -14.159 -10.166  -4.730
  629   1HG   PRO  81          2HG       PRO  81 -15.473  -9.099  -7.216
  630   2HG   PRO  81          3HG       PRO  81 -15.731  -8.628  -5.507
  631   1HD   PRO  81          2HD       PRO  81 -14.155  -7.241  -7.352
  632   2HD   PRO  81          3HD       PRO  81 -13.991  -7.113  -5.574
  633    H    ASP  82           H        ASP  82 -13.033  -8.972  -8.737
  634    HA   ASP  82           HA       ASP  82 -12.575 -11.435 -10.203
  635   1HB   ASP  82          2HB       ASP  82 -12.779  -8.492 -10.925
  636   2HB   ASP  82          3HB       ASP  82 -12.344  -9.698 -12.127
  637    H    ASP  83           H        ASP  83 -10.513  -8.674  -9.111
  638    HA   ASP  83           HA       ASP  83  -8.295  -9.391 -10.828
  639   1HB   ASP  83          2HB       ASP  83  -8.533  -7.132  -9.974
  640   2HB   ASP  83          3HB       ASP  83  -8.472  -7.711  -8.308
  641    H    ARG  84           H        ARG  84  -9.619 -10.732  -7.966
  642    HA   ARG  84           HA       ARG  84  -7.239 -11.661  -6.757
  643   1HB   ARG  84          2HB       ARG  84  -9.528 -11.536  -5.735
  644   2HB   ARG  84          3HB       ARG  84 -10.003 -12.955  -6.675
  645   1HG   ARG  84          2HG       ARG  84  -7.466 -13.295  -5.148
  646   2HG   ARG  84          3HG       ARG  84  -8.869 -12.995  -4.128
  647   1HD   ARG  84          2HD       ARG  84  -8.929 -15.094  -6.324
  648   2HD   ARG  84          3HD       ARG  84  -8.306 -15.443  -4.700
  649    HE   ARG  84           HE       ARG  84 -10.773 -14.209  -4.327
  650   1HH1  ARG  84          2HH       ARG  84  -9.601 -17.156  -5.860
  651   2HH1  ARG  84          1HH       ARG  84 -10.984 -18.120  -5.476
  652   1HH2  ARG  84          2HH       ARG  84 -12.634 -15.469  -3.753
  653   2HH2  ARG  84          1HH       ARG  84 -12.759 -17.121  -4.235
  654    H    SER  85           H        SER  85  -9.110 -13.015  -9.402
  655    HA   SER  85           HA       SER  85  -7.079 -14.579 -10.529
  656   1HB   SER  85          2HB       SER  85  -6.929 -15.928  -8.543
  657   2HB   SER  85          3HB       SER  85  -8.679 -16.153  -8.479
  658    HG   SER  85           HG       SER  85  -6.941 -17.148 -10.492
  659    H    LYS  86           H        LYS  86  -9.464 -12.983 -11.331
  660    HA   LYS  86           HA       LYS  86 -10.617 -14.799 -13.294
  661   1HB   LYS  86          2HB       LYS  86 -12.033 -14.118 -10.793
  662   2HB   LYS  86          3HB       LYS  86 -12.967 -13.726 -12.226
  663   1HG   LYS  86          2HG       LYS  86 -12.507 -16.047 -13.129
  664   2HG   LYS  86          3HG       LYS  86 -11.830 -16.454 -11.545
  665   1HD   LYS  86          2HD       LYS  86 -13.963 -17.057 -11.029
  666   2HD   LYS  86          3HD       LYS  86 -14.227 -15.314 -10.820
  667   1HE   LYS  86          2HE       LYS  86 -14.720 -15.289 -13.374
  668   2HE   LYS  86          3HE       LYS  86 -14.814 -17.053 -13.255
  669   1HZ   LYS  86          1HZ       LYS  86 -16.610 -16.829 -11.718
  670   2HZ   LYS  86          2HZ       LYS  86 -16.436 -15.190 -11.642
  671   3HZ   LYS  86          3HZ       LYS  86 -16.960 -15.898 -13.030
  672    H    LEU  87           H        LEU  87  -9.357 -13.135 -14.508
  673    HA   LEU  87           HA       LEU  87 -10.840 -10.534 -14.726
  674   1HB   LEU  87          2HB       LEU  87  -7.948 -11.270 -15.232
  675   2HB   LEU  87          3HB       LEU  87  -8.640  -9.697 -15.614
  676    HG   LEU  87           HG       LEU  87  -8.899 -10.825 -12.803
  677   1HD1  LEU  87          1HD       LEU  87  -6.554 -11.046 -13.311
  678   2HD1  LEU  87          2HD       LEU  87  -6.493  -9.425 -14.046
  679   3HD1  LEU  87          3HD       LEU  87  -6.724  -9.612 -12.298
  680   1HD2  LEU  87          1HD       LEU  87 -10.065  -8.860 -12.698
  681   2HD2  LEU  87          2HD       LEU  87  -8.466  -8.103 -12.610
  682   3HD2  LEU  87          3HD       LEU  87  -9.315  -8.183 -14.153
  683    H    SER  88           H        SER  88 -12.042 -12.616 -16.028
  684    HA   SER  88           HA       SER  88 -11.789 -11.779 -18.798
  685   1HB   SER  88          2HB       SER  88  -9.935 -13.498 -18.477
  686   2HB   SER  88          3HB       SER  88 -11.198 -14.708 -18.204
  687    HG   SER  88           HG       SER  88 -11.952 -14.325 -20.278
  688    H    LYS  89           H        LYS  89 -14.028 -11.198 -18.436
  689    HA   LYS  89           HA       LYS  89 -15.889 -13.443 -17.846
  690   1HB   LYS  89          2HB       LYS  89 -16.135 -11.445 -16.423
  691   2HB   LYS  89          3HB       LYS  89 -16.239 -10.422 -17.856
  692   1HG   LYS  89          2HG       LYS  89 -18.467 -10.570 -17.355
  693   2HG   LYS  89          3HG       LYS  89 -18.326 -11.943 -18.436
  694   1HD   LYS  89          2HD       LYS  89 -18.013 -13.415 -16.387
  695   2HD   LYS  89          3HD       LYS  89 -18.472 -12.009 -15.407
  696   1HE   LYS  89          2HE       LYS  89 -20.202 -12.608 -17.781
  697   2HE   LYS  89          3HE       LYS  89 -20.254 -13.829 -16.507
  698   1HZ   LYS  89          1HZ       LYS  89 -21.896 -11.942 -16.394
  699   2HZ   LYS  89          2HZ       LYS  89 -21.097 -12.299 -15.005
  700   3HZ   LYS  89          3HZ       LYS  89 -20.658 -10.983 -15.896
  701    HA   PRO  90           HA       PRO  90 -16.735 -13.226 -22.283
  702   1HB   PRO  90          2HB       PRO  90 -18.808 -15.055 -22.393
  703   2HB   PRO  90          3HB       PRO  90 -17.085 -15.499 -22.249
  704   1HG   PRO  90          2HG       PRO  90 -19.198 -15.419 -20.108
  705   2HG   PRO  90          3HG       PRO  90 -17.842 -16.569 -20.320
  706   1HD   PRO  90          2HD       PRO  90 -17.868 -14.381 -18.572
  707   2HD   PRO  90          3HD       PRO  90 -16.389 -15.197 -19.164
  708    H    MET  91           H        MET  91 -19.027 -13.158 -23.574
  709    HA   MET  91           HA       MET  91 -20.464 -10.819 -22.437
  710   1HB   MET  91          2HB       MET  91 -21.136 -10.360 -24.722
  711   2HB   MET  91          3HB       MET  91 -19.381 -10.517 -24.651
  712   1HG   MET  91          2HG       MET  91 -19.425 -12.704 -25.628
  713   2HG   MET  91          3HG       MET  91 -21.165 -12.864 -25.412
  714   1HE   MET  91          1HE       MET  91 -22.209  -9.815 -26.705
  715   2HE   MET  91          2HE       MET  91 -22.820 -10.789 -28.059
  716   3HE   MET  91          3HE       MET  91 -22.886 -11.433 -26.403
  717    H    GLU  92           H        GLU  92 -22.903 -10.859 -23.549
  718    HA   GLU  92           HA       GLU  92 -24.087 -13.506 -23.554
  719   1HB   GLU  92          2HB       GLU  92 -23.925 -12.046 -21.117
  720   2HB   GLU  92          3HB       GLU  92 -25.562 -11.752 -21.691
  721   1HG   GLU  92          2HG       GLU  92 -24.330 -14.543 -21.571
  722   2HG   GLU  92          3HG       GLU  92 -25.115 -13.806 -20.172
  723    H    THR  93           H        THR  93 -26.510 -13.202 -24.287
  724    HA   THR  93           HA       THR  93 -27.167 -10.580 -25.281
  725    HB   THR  93           HB       THR  93 -25.592 -11.392 -27.022
  726    HG1  THR  93          1HG       THR  93 -27.041  -9.967 -27.702
  727   1HG2  THR  93          1HG       THR  93 -27.008 -13.872 -26.840
  728   2HG2  THR  93          2HG       THR  93 -27.304 -13.204 -28.451
  729   3HG2  THR  93          3HG       THR  93 -25.640 -13.442 -27.881
  730    H    LEU  94           H        LEU  94 -29.234 -11.262 -26.987
  731    HA   LEU  94           HA       LEU  94 -31.220 -12.327 -25.110
  732   1HB   LEU  94          2HB       LEU  94 -31.766 -10.471 -26.639
  733   2HB   LEU  94          3HB       LEU  94 -31.388 -11.481 -28.045
  734    HG   LEU  94           HG       LEU  94 -33.396 -12.595 -26.113
  735   1HD1  LEU  94          1HD       LEU  94 -34.106 -10.305 -27.985
  736   2HD1  LEU  94          2HD       LEU  94 -35.224 -11.254 -26.975
  737   3HD1  LEU  94          3HD       LEU  94 -34.023 -10.201 -26.211
  738   1HD2  LEU  94          1HD       LEU  94 -34.433 -13.428 -28.127
  739   2HD2  LEU  94          2HD       LEU  94 -33.509 -12.307 -29.157
  740   3HD2  LEU  94          3HD       LEU  94 -32.700 -13.662 -28.355
  741    HHA  HEM  95          MHG       HEM  95  11.880  -0.567   8.720
  742    HHB  HEM  95          MHD       HEM  95   5.509  -0.346   9.406
  743    HHC  HEM  95          MHA       HEM  95   4.851  -0.935   3.040
  744    HHD  HEM  95          MHB       HEM  95  11.231  -0.275   2.311
  745   1HMA  HEM  95          1HM       HEM  95   7.957  -1.182  12.234
  746   2HMA  HEM  95          2HM       HEM  95   7.149   0.333  11.800
  747   3HMA  HEM  95          3HM       HEM  95   6.451  -1.230  11.330
  748   1HAA  HEM  95          1HP       HEM  95  11.107  -1.920  10.664
  749   2HAA  HEM  95          2HP       HEM  95  10.093  -1.386  11.970
  750   1HBA  HEM  95          3HP       HEM  95  11.432   0.851  10.555
  751   2HBA  HEM  95          4HP       HEM  95  12.563  -0.321  11.196
  752   1HMB  HEM  95          1HM       HEM  95   3.426  -1.402   8.739
  753   2HMB  HEM  95          2HM       HEM  95   3.155   0.323   8.513
  754   3HMB  HEM  95          3HM       HEM  95   2.206  -0.865   7.563
  755    HAB  HEM  95          AHT       HEM  95   2.578  -0.441   4.105
  756   1HBB  HEM  95          CHV       HEM  95   2.647  -3.069   5.621
  757   2HBB  HEM  95          THV       HEM  95   1.435  -2.512   4.310
  758   1HMC  HEM  95          1HM       HEM  95   5.500  -1.819   1.104
  759   2HMC  HEM  95          2HM       HEM  95   5.796  -0.303   0.220
  760   3HMC  HEM  95          3HM       HEM  95   6.795  -1.770  -0.068
  761    HAC  HEM  95          AHT       HEM  95  10.398  -0.589   0.280
  762   1HBC  HEM  95          THV       HEM  95   9.447   0.397  -1.649
  763   2HBC  HEM  95          CHV       HEM  95   7.731   0.228  -0.958
  764   1HMD  HEM  95          1HM       HEM  95  13.207   0.588   2.869
  765   2HMD  HEM  95          2HM       HEM  95  14.393   0.640   4.163
  766   3HMD  HEM  95          3HM       HEM  95  14.006  -0.913   3.391
  767   1HAD  HEM  95          1HP       HEM  95  13.710   0.349   7.835
  768   2HAD  HEM  95          2HP       HEM  95  14.622   0.471   6.354
  769   1HBD  HEM  95          3HP       HEM  95  15.477  -1.322   7.811
  770   2HBD  HEM  95          4HP       HEM  95  14.930  -1.952   6.252
  Start of MODEL   16
    1   1H    ASP   1           H1       ASP   1 -14.563   2.960   7.099
    2   2H    ASP   1           H2       ASP   1 -15.764   2.882   8.211
    3   3H    ASP   1           H3       ASP   1 -14.636   4.096   8.297
    4    HA   ASP   1           HA       ASP   1 -14.118   1.343   9.519
    5   1HB   ASP   1          2HB       ASP   1 -15.029   3.708  10.236
    6   2HB   ASP   1          3HB       ASP   1 -15.584   2.041  10.386
    7    H    LYS   2           H        LYS   2 -12.297   0.669   7.509
    8    HA   LYS   2           HA       LYS   2 -14.522  -1.066   6.665
    9   1HB   LYS   2          2HB       LYS   2 -13.357   1.114   5.027
   10   2HB   LYS   2          3HB       LYS   2 -13.233  -0.447   4.235
   11   1HG   LYS   2          2HG       LYS   2 -15.449  -0.627   3.859
   12   2HG   LYS   2          3HG       LYS   2 -15.915   0.029   5.434
   13   1HD   LYS   2          2HD       LYS   2 -15.625   2.282   4.723
   14   2HD   LYS   2          3HD       LYS   2 -14.802   1.787   3.231
   15   1HE   LYS   2          2HE       LYS   2 -16.897   0.643   2.486
   16   2HE   LYS   2          3HE       LYS   2 -17.710   1.201   3.955
   17   1HZ   LYS   2          1HZ       LYS   2 -16.600   2.912   1.822
   18   2HZ   LYS   2          2HZ       LYS   2 -18.200   2.677   2.168
   19   3HZ   LYS   2          3HZ       LYS   2 -17.234   3.482   3.224
   20    H    ASP   3           H        ASP   3 -13.896  -3.026   5.889
   21    HA   ASP   3           HA       ASP   3 -11.085  -3.752   6.402
   22   1HB   ASP   3          2HB       ASP   3 -13.086  -4.896   7.510
   23   2HB   ASP   3          3HB       ASP   3 -13.480  -5.559   5.925
   24    H    VAL   4           H        VAL   4 -13.574  -4.044   4.011
   25    HA   VAL   4           HA       VAL   4 -11.601  -4.348   1.836
   26    HB   VAL   4           HB       VAL   4 -14.070  -6.082   1.807
   27   1HG1  VAL   4          1HG       VAL   4 -12.281  -5.516  -0.090
   28   2HG1  VAL   4          2HG       VAL   4 -11.392  -6.810   0.753
   29   3HG1  VAL   4          3HG       VAL   4 -12.999  -7.133   0.081
   30   1HG2  VAL   4          1HG       VAL   4 -12.663  -7.976   2.636
   31   2HG2  VAL   4          2HG       VAL   4 -11.406  -6.815   3.108
   32   3HG2  VAL   4          3HG       VAL   4 -12.997  -6.793   3.901
   33    H    LYS   5           H        LYS   5 -12.105  -2.198   1.127
   34    HA   LYS   5           HA       LYS   5 -14.904  -1.545   0.609
   35   1HB   LYS   5          2HB       LYS   5 -12.866  -0.043   1.388
   36   2HB   LYS   5          3HB       LYS   5 -12.603   0.147  -0.340
   37   1HG   LYS   5          2HG       LYS   5 -15.342   0.613   0.916
   38   2HG   LYS   5          3HG       LYS   5 -14.070   1.812   1.073
   39   1HD   LYS   5          2HD       LYS   5 -14.705   2.728  -0.788
   40   2HD   LYS   5          3HD       LYS   5 -14.107   1.326  -1.680
   41   1HE   LYS   5          2HE       LYS   5 -16.197   0.451  -2.013
   42   2HE   LYS   5          3HE       LYS   5 -16.858   1.107  -0.511
   43   1HZ   LYS   5          1HZ       LYS   5 -17.678   2.183  -2.570
   44   2HZ   LYS   5          2HZ       LYS   5 -17.007   3.248  -1.508
   45   3HZ   LYS   5          3HZ       LYS   5 -16.171   2.774  -2.841
   46    H    TYR   6           H        TYR   6 -12.735  -3.404  -1.042
   47    HA   TYR   6           HA       TYR   6 -12.371  -4.098  -3.102
   48   1HB   TYR   6          2HB       TYR   6 -15.058  -4.364  -2.316
   49   2HB   TYR   6          3HB       TYR   6 -15.154  -3.874  -3.981
   50    HD1  TYR   6           HD1      TYR   6 -15.938  -5.844  -4.997
   51    HD2  TYR   6           HD2      TYR   6 -12.530  -6.090  -2.354
   52    HE1  TYR   6           HE1      TYR   6 -15.719  -8.252  -5.492
   53    HE2  TYR   6           HE2      TYR   6 -12.270  -8.472  -2.897
   54    HH   TYR   6           HH       TYR   6 -14.648 -10.257  -4.853
   55    H    TYR   7           H        TYR   7 -10.987  -2.526  -4.181
   56    HA   TYR   7           HA       TYR   7 -12.443  -0.392  -5.606
   57   1HB   TYR   7          2HB       TYR   7  -9.770  -0.661  -4.195
   58   2HB   TYR   7          3HB       TYR   7  -9.966   0.419  -5.501
   59    HD1  TYR   7           HD1      TYR   7 -10.273   0.206  -2.007
   60    HD2  TYR   7           HD2      TYR   7 -11.985   2.063  -5.494
   61    HE1  TYR   7           HE1      TYR   7 -11.195   2.025  -0.587
   62    HE2  TYR   7           HE2      TYR   7 -12.908   3.875  -4.105
   63    HH   TYR   7           HH       TYR   7 -12.899   4.837  -1.952
   64    H    THR   8           H        THR   8 -11.632   0.103  -7.720
   65    HA   THR   8           HA       THR   8 -11.052  -2.390  -9.165
   66    HB   THR   8           HB       THR   8 -11.875  -1.419 -11.043
   67    HG1  THR   8          1HG       THR   8 -11.830   1.200 -10.865
   68   1HG2  THR   8          1HG       THR   8 -13.870  -0.243 -10.594
   69   2HG2  THR   8          2HG       THR   8 -13.567  -1.189  -9.127
   70   3HG2  THR   8          3HG       THR   8 -13.206   0.550  -9.152
   71    H    LEU   9           H        LEU   9  -8.973  -2.775 -10.239
   72    HA   LEU   9           HA       LEU   9  -6.723  -1.593  -9.302
   73   1HB   LEU   9          2HB       LEU   9  -6.967  -2.403 -12.219
   74   2HB   LEU   9          3HB       LEU   9  -5.509  -2.217 -11.248
   75    HG   LEU   9           HG       LEU   9  -6.787  -3.908  -9.642
   76   1HD1  LEU   9          1HD       LEU   9  -8.528  -3.903 -11.813
   77   2HD1  LEU   9          2HD       LEU   9  -7.644  -5.430 -11.948
   78   3HD1  LEU   9          3HD       LEU   9  -8.490  -5.026 -10.439
   79   1HD2  LEU   9          1HD       LEU   9  -5.586  -5.759 -11.173
   80   2HD2  LEU   9          2HD       LEU   9  -4.825  -4.282 -11.802
   81   3HD2  LEU   9          3HD       LEU   9  -4.777  -4.657 -10.060
   82    H    GLU  10           H        GLU  10  -8.929  -0.141 -11.670
   83    HA   GLU  10           HA       GLU  10  -7.229   1.859 -12.740
   84   1HB   GLU  10          2HB       GLU  10  -9.851   1.059 -13.124
   85   2HB   GLU  10          3HB       GLU  10 -10.072   2.582 -12.247
   86   1HG   GLU  10          2HG       GLU  10  -8.433   3.631 -13.899
   87   2HG   GLU  10          3HG       GLU  10  -8.498   2.116 -14.808
   88    H    GLU  11           H        GLU  11  -9.510   1.948  -9.877
   89    HA   GLU  11           HA       GLU  11  -8.866   4.576  -9.186
   90   1HB   GLU  11          2HB       GLU  11  -9.613   2.525  -7.099
   91   2HB   GLU  11          3HB       GLU  11 -10.021   4.226  -7.234
   92   1HG   GLU  11          2HG       GLU  11 -11.228   1.885  -8.653
   93   2HG   GLU  11          3HG       GLU  11 -12.025   3.099  -7.666
   94    H    ILE  12           H        ILE  12  -7.413   1.442  -8.121
   95    HA   ILE  12           HA       ILE  12  -5.715   2.589  -6.160
   96    HB   ILE  12           HB       ILE  12  -5.438   0.077  -7.869
   97   1HG1  ILE  12          2HG       ILE  12  -6.012  -0.727  -5.374
   98   2HG1  ILE  12          3HG       ILE  12  -6.720   0.890  -5.297
   99   1HG2  ILE  12          1HG       ILE  12  -4.059   0.008  -5.253
  100   2HG2  ILE  12          2HG       ILE  12  -3.501  -0.485  -6.864
  101   3HG2  ILE  12          3HG       ILE  12  -3.368   1.193  -6.320
  102   1HD1  ILE  12          1HD       ILE  12  -7.474  -1.038  -7.435
  103   2HD1  ILE  12          2HD       ILE  12  -8.204  -1.102  -5.829
  104   3HD1  ILE  12          3HD       ILE  12  -8.341   0.385  -6.773
  105    H    LYS  13           H        LYS  13  -5.332   2.149  -9.654
  106    HA   LYS  13           HA       LYS  13  -2.601   3.241  -9.632
  107   1HB   LYS  13          2HB       LYS  13  -4.426   2.133 -11.790
  108   2HB   LYS  13          3HB       LYS  13  -2.796   2.745 -12.111
  109   1HG   LYS  13          2HG       LYS  13  -1.735   1.017 -10.970
  110   2HG   LYS  13          3HG       LYS  13  -3.073   0.761  -9.858
  111   1HD   LYS  13          2HD       LYS  13  -3.194  -1.172 -11.070
  112   2HD   LYS  13          3HD       LYS  13  -4.346  -0.166 -11.944
  113   1HE   LYS  13          2HE       LYS  13  -2.125   0.511 -13.292
  114   2HE   LYS  13          3HE       LYS  13  -1.619  -1.099 -12.755
  115   1HZ   LYS  13          1HZ       LYS  13  -2.944  -0.788 -14.946
  116   2HZ   LYS  13          2HZ       LYS  13  -3.284  -2.079 -13.978
  117   3HZ   LYS  13          3HZ       LYS  13  -4.260  -0.752 -13.965
  118    H    LYS  14           H        LYS  14  -5.591   4.614  -9.338
  119    HA   LYS  14           HA       LYS  14  -4.987   7.041 -10.940
  120   1HB   LYS  14          2HB       LYS  14  -7.205   5.984 -11.086
  121   2HB   LYS  14          3HB       LYS  14  -7.385   6.098  -9.353
  122   1HG   LYS  14          2HG       LYS  14  -6.991   8.744 -10.620
  123   2HG   LYS  14          3HG       LYS  14  -8.366   7.841 -11.236
  124   1HD   LYS  14          2HD       LYS  14  -8.871   7.393  -8.645
  125   2HD   LYS  14          3HD       LYS  14  -7.943   8.879  -8.435
  126   1HE   LYS  14          2HE       LYS  14 -10.202   8.610 -10.465
  127   2HE   LYS  14          3HE       LYS  14 -10.555   8.911  -8.764
  128   1HZ   LYS  14          1HZ       LYS  14  -9.220  10.905  -8.886
  129   2HZ   LYS  14          2HZ       LYS  14  -8.898  10.644 -10.481
  130   3HZ   LYS  14          3HZ       LYS  14 -10.442  10.954  -9.989
  131    H    HIS  15           H        HIS  15  -4.452   5.859  -7.696
  132    HA   HIS  15           HA       HIS  15  -4.468   8.609  -6.613
  133   1HB   HIS  15          2HB       HIS  15  -3.893   5.868  -5.427
  134   2HB   HIS  15          3HB       HIS  15  -3.780   7.378  -4.543
  135    HD1  HIS  15           HD1      HIS  15  -6.214   8.814  -4.285
  136    HD2  HIS  15           HD2      HIS  15  -6.259   4.798  -5.546
  137    HE1  HIS  15           HE1      HIS  15  -8.630   8.025  -4.141
  138    H    ASN  16           H        ASN  16  -1.892   7.061  -5.225
  139    HA   ASN  16           HA       ASN  16   0.311   7.369  -5.358
  140   1HB   ASN  16          2HB       ASN  16   1.459   6.460  -7.305
  141   2HB   ASN  16          3HB       ASN  16   0.119   5.433  -6.798
  142   1HD2  ASN  16          1HD       ASN  16  -1.830   5.315  -8.172
  143   2HD2  ASN  16          2HD       ASN  16  -1.669   5.840  -9.853
  144    H    HIS  17           H        HIS  17  -0.877   9.815  -5.367
  145    HA   HIS  17           HA       HIS  17   0.650  11.339  -7.452
  146   1HB   HIS  17          2HB       HIS  17  -1.978  11.854  -6.064
  147   2HB   HIS  17          3HB       HIS  17  -1.029  13.187  -6.727
  148    HD1  HIS  17           HD1      HIS  17  -0.443  12.933  -9.471
  149    HD2  HIS  17           HD2      HIS  17  -3.506  10.572  -7.809
  150    HE1  HIS  17           HE1      HIS  17  -1.916  12.163 -11.412
  151    H    SER  18           H        SER  18  -0.682  12.320  -4.336
  152    HA   SER  18           HA       SER  18   1.946  12.681  -3.090
  153   1HB   SER  18          2HB       SER  18   0.530  14.947  -4.428
  154   2HB   SER  18          3HB       SER  18   1.082  15.267  -2.774
  155    HG   SER  18           HG       SER  18   2.645  15.701  -4.473
  156    H    LYS  19           H        LYS  19  -1.566  13.468  -3.057
  157    HA   LYS  19           HA       LYS  19  -1.538  13.189  -0.087
  158   1HB   LYS  19          2HB       LYS  19  -2.925  15.036  -1.953
  159   2HB   LYS  19          3HB       LYS  19  -3.995  14.288  -0.789
  160   1HG   LYS  19          2HG       LYS  19  -3.263  16.286   0.206
  161   2HG   LYS  19          3HG       LYS  19  -2.451  14.980   1.068
  162   1HD   LYS  19          2HD       LYS  19  -0.356  15.442   0.021
  163   2HD   LYS  19          3HD       LYS  19  -1.090  16.474  -1.218
  164   1HE   LYS  19          2HE       LYS  19  -1.324  17.126   1.741
  165   2HE   LYS  19          3HE       LYS  19   0.105  17.608   0.821
  166   1HZ   LYS  19          1HZ       LYS  19  -1.009  19.274  -0.068
  167   2HZ   LYS  19          2HZ       LYS  19  -2.277  18.336  -0.531
  168   3HZ   LYS  19          3HZ       LYS  19  -2.239  18.982   0.979
  169    H    SER  20           H        SER  20  -1.428  10.985  -1.989
  170    HA   SER  20           HA       SER  20  -3.269   9.219  -0.800
  171   1HB   SER  20          2HB       SER  20  -4.141  10.345  -3.439
  172   2HB   SER  20          3HB       SER  20  -4.384   8.622  -3.079
  173    HG   SER  20           HG       SER  20  -5.226  10.529  -1.221
  174    H    THR  21           H        THR  21  -0.911   8.597  -0.600
  175    HA   THR  21           HA       THR  21   0.193   7.141  -2.912
  176    HB   THR  21           HB       THR  21   1.122   7.696  -0.073
  177    HG1  THR  21          1HG       THR  21   2.700   8.797  -1.291
  178   1HG2  THR  21          1HG       THR  21   2.072   5.618  -0.349
  179   2HG2  THR  21          2HG       THR  21   2.179   5.758  -2.129
  180   3HG2  THR  21          3HG       THR  21   3.302   6.654  -1.087
  181    H    TRP  22           H        TRP  22  -1.639   5.745  -3.223
  182    HA   TRP  22           HA       TRP  22  -2.082   3.713  -1.114
  183   1HB   TRP  22          2HB       TRP  22  -3.169   4.165  -3.918
  184   2HB   TRP  22          3HB       TRP  22  -3.466   2.685  -3.019
  185    HD1  TRP  22           HD1      TRP  22  -3.536   5.607  -0.715
  186    HE1  TRP  22           HE1      TRP  22  -5.908   6.176  -0.070
  187    HE3  TRP  22           HE3      TRP  22  -5.936   2.626  -4.054
  188    HZ2  TRP  22           HZ2      TRP  22  -8.598   5.513  -1.002
  189    HZ3  TRP  22           HZ3      TRP  22  -8.421   2.655  -4.234
  190    HH2  TRP  22           HH2      TRP  22  -9.747   4.115  -2.725
  191    H    LEU  23           H        LEU  23  -1.896   1.389  -2.023
  192    HA   LEU  23           HA       LEU  23  -0.104   0.816  -4.177
  193   1HB   LEU  23          2HB       LEU  23   1.755  -0.118  -2.782
  194   2HB   LEU  23          3HB       LEU  23   1.627   1.620  -2.733
  195    HG   LEU  23           HG       LEU  23   0.300   1.358  -0.516
  196   1HD1  LEU  23          1HD       LEU  23  -0.220  -1.018  -0.595
  197   2HD1  LEU  23          2HD       LEU  23   1.490  -1.381  -0.886
  198   3HD1  LEU  23          3HD       LEU  23   0.936  -0.730   0.688
  199   1HD2  LEU  23          1HD       LEU  23   2.814   0.446   0.398
  200   2HD2  LEU  23          2HD       LEU  23   3.160   1.278  -1.116
  201   3HD2  LEU  23          3HD       LEU  23   2.279   2.124   0.164
  202    H    ILE  24           H        ILE  24   0.655  -1.722  -3.654
  203    HA   ILE  24           HA       ILE  24  -1.843  -3.060  -2.790
  204    HB   ILE  24           HB       ILE  24   0.038  -3.830  -5.091
  205   1HG1  ILE  24          2HG       ILE  24  -2.742  -2.694  -5.158
  206   2HG1  ILE  24          3HG       ILE  24  -1.270  -1.812  -5.561
  207   1HG2  ILE  24          1HG       ILE  24  -2.434  -5.136  -3.931
  208   2HG2  ILE  24          2HG       ILE  24  -1.811  -5.506  -5.568
  209   3HG2  ILE  24          3HG       ILE  24  -0.818  -5.830  -4.156
  210   1HD1  ILE  24          1HD       ILE  24  -0.827  -3.615  -7.346
  211   2HD1  ILE  24          2HD       ILE  24  -2.558  -3.998  -7.178
  212   3HD1  ILE  24          3HD       ILE  24  -2.048  -2.372  -7.659
  213    H    LEU  25           H        LEU  25  -1.068  -3.833  -0.774
  214    HA   LEU  25           HA       LEU  25   1.517  -5.298  -0.762
  215   1HB   LEU  25          2HB       LEU  25   0.045  -3.632   1.255
  216   2HB   LEU  25          3HB       LEU  25   0.912  -5.040   1.879
  217    HG   LEU  25           HG       LEU  25   2.200  -3.076  -0.022
  218   1HD1  LEU  25          1HD       LEU  25   2.754  -2.906   2.923
  219   2HD1  LEU  25          2HD       LEU  25   2.900  -1.668   1.667
  220   3HD1  LEU  25          3HD       LEU  25   1.300  -2.111   2.317
  221   1HD2  LEU  25          1HD       LEU  25   2.986  -5.468   0.753
  222   2HD2  LEU  25          2HD       LEU  25   4.113  -4.140   0.378
  223   3HD2  LEU  25          3HD       LEU  25   3.680  -4.569   2.065
  224    H    HIS  26           H        HIS  26   0.981  -7.385  -1.314
  225    HA   HIS  26           HA       HIS  26   0.092  -9.437  -1.178
  226   1HB   HIS  26          2HB       HIS  26  -0.671  -8.446   1.600
  227   2HB   HIS  26          3HB       HIS  26  -1.045 -10.062   1.038
  228    HD1  HIS  26           HD1      HIS  26   1.053 -11.717   0.508
  229    HD2  HIS  26           HD2      HIS  26   1.786  -8.097   2.538
  230    HE1  HIS  26           HE1      HIS  26   3.312 -11.971   1.669
  231    H    HIS  27           H        HIS  27  -1.375  -8.299  -2.945
  232    HA   HIS  27           HA       HIS  27  -3.408  -7.964  -3.868
  233   1HB   HIS  27          2HB       HIS  27  -4.354 -10.345  -2.241
  234   2HB   HIS  27          3HB       HIS  27  -4.837  -9.870  -3.866
  235    HD1  HIS  27           HD1      HIS  27  -2.390 -11.960  -1.969
  236    HD2  HIS  27           HD2      HIS  27  -2.921 -10.434  -5.856
  237    HE1  HIS  27           HE1      HIS  27  -0.803 -13.281  -3.501
  238    H    LYS  28           H        LYS  28  -3.146  -6.209  -1.823
  239    HA   LYS  28           HA       LYS  28  -5.904  -5.851  -1.002
  240   1HB   LYS  28          2HB       LYS  28  -3.687  -6.469   0.888
  241   2HB   LYS  28          3HB       LYS  28  -4.665  -5.061   1.312
  242   1HG   LYS  28          2HG       LYS  28  -6.280  -6.373   2.116
  243   2HG   LYS  28          3HG       LYS  28  -6.475  -7.160   0.561
  244   1HD   LYS  28          2HD       LYS  28  -4.836  -8.806   1.027
  245   2HD   LYS  28          3HD       LYS  28  -4.294  -7.998   2.511
  246   1HE   LYS  28          2HE       LYS  28  -7.176  -8.882   2.113
  247   2HE   LYS  28          3HE       LYS  28  -5.936 -10.039   2.625
  248   1HZ   LYS  28          1HZ       LYS  28  -6.969  -9.130   4.543
  249   2HZ   LYS  28          2HZ       LYS  28  -5.430  -8.540   4.481
  250   3HZ   LYS  28          3HZ       LYS  28  -6.704  -7.584   4.057
  251    H    VAL  29           H        VAL  29  -6.129  -3.380  -0.206
  252    HA   VAL  29           HA       VAL  29  -4.190  -1.833  -1.766
  253    HB   VAL  29           HB       VAL  29  -7.143  -1.615  -1.167
  254   1HG1  VAL  29          1HG       VAL  29  -7.175   0.315  -2.597
  255   2HG1  VAL  29          2HG       VAL  29  -5.985   0.547  -1.282
  256   3HG1  VAL  29          3HG       VAL  29  -5.424   0.146  -2.914
  257   1HG2  VAL  29          1HG       VAL  29  -6.674  -3.278  -2.868
  258   2HG2  VAL  29          2HG       VAL  29  -7.553  -1.877  -3.520
  259   3HG2  VAL  29          3HG       VAL  29  -5.795  -2.063  -3.787
  260    H    TYR  30           H        TYR  30  -2.969  -0.611  -0.366
  261    HA   TYR  30           HA       TYR  30  -4.116  -0.015   2.303
  262   1HB   TYR  30          2HB       TYR  30  -1.373  -0.690   1.215
  263   2HB   TYR  30          3HB       TYR  30  -1.605   0.132   2.716
  264    HD1  TYR  30           HD1      TYR  30  -2.287  -3.085   0.926
  265    HD2  TYR  30           HD2      TYR  30  -2.311  -1.036   4.703
  266    HE1  TYR  30           HE1      TYR  30  -2.360  -5.268   2.161
  267    HE2  TYR  30           HE2      TYR  30  -2.511  -3.234   5.851
  268    HH   TYR  30           HH       TYR  30  -2.169  -5.533   5.666
  269    H    ASP  31           H        ASP  31  -3.552   2.088   3.119
  270    HA   ASP  31           HA       ASP  31  -2.737   4.115   1.114
  271   1HB   ASP  31          2HB       ASP  31  -5.166   4.220   1.550
  272   2HB   ASP  31          3HB       ASP  31  -4.845   4.329   3.303
  273    H    LEU  32           H        LEU  32  -0.782   4.743   1.783
  274    HA   LEU  32           HA       LEU  32  -0.405   5.054   4.717
  275   1HB   LEU  32          2HB       LEU  32   2.100   4.590   3.404
  276   2HB   LEU  32          3HB       LEU  32   1.381   3.845   4.819
  277    HG   LEU  32           HG       LEU  32   0.753   2.855   2.027
  278   1HD1  LEU  32          1HD       LEU  32   2.977   2.094   3.963
  279   2HD1  LEU  32          2HD       LEU  32   2.486   1.124   2.559
  280   3HD1  LEU  32          3HD       LEU  32   3.145   2.743   2.312
  281   1HD2  LEU  32          1HD       LEU  32   0.495   1.761   4.869
  282   2HD2  LEU  32          2HD       LEU  32  -0.792   2.023   3.679
  283   3HD2  LEU  32          3HD       LEU  32   0.400   0.735   3.431
  284    H    THR  33           H        THR  33  -1.399   6.925   2.617
  285    HA   THR  33           HA       THR  33   0.530   8.760   1.829
  286    HB   THR  33           HB       THR  33  -2.359   9.269   2.736
  287    HG1  THR  33          1HG       THR  33  -2.799   7.857   1.314
  288   1HG2  THR  33          1HG       THR  33  -0.881  11.234   2.102
  289   2HG2  THR  33          2HG       THR  33  -0.740  10.497   0.492
  290   3HG2  THR  33          3HG       THR  33  -2.342  10.996   1.149
  291    H    LYS  34           H        LYS  34  -1.702   9.037   4.708
  292    HA   LYS  34           HA       LYS  34  -0.135  11.257   5.769
  293   1HB   LYS  34          2HB       LYS  34  -2.573  10.932   6.179
  294   2HB   LYS  34          3HB       LYS  34  -2.220   9.484   7.106
  295   1HG   LYS  34          2HG       LYS  34  -0.682  11.832   8.075
  296   2HG   LYS  34          3HG       LYS  34  -2.386  12.181   8.000
  297   1HD   LYS  34          2HD       LYS  34  -2.733  11.119   9.940
  298   2HD   LYS  34          3HD       LYS  34  -2.208   9.603   9.230
  299   1HE   LYS  34          2HE       LYS  34  -0.469   9.582  10.635
  300   2HE   LYS  34          3HE       LYS  34   0.222  10.901   9.707
  301   1HZ   LYS  34          1HZ       LYS  34  -1.435  11.146  12.121
  302   2HZ   LYS  34          2HZ       LYS  34   0.191  11.395  11.928
  303   3HZ   LYS  34          3HZ       LYS  34  -0.876  12.431  11.217
  304    H    PHE  35           H        PHE  35   0.639   8.010   5.453
  305    HA   PHE  35           HA       PHE  35   2.086   7.861   8.015
  306   1HB   PHE  35          2HB       PHE  35   0.701   5.965   7.335
  307   2HB   PHE  35          3HB       PHE  35   1.545   5.844   5.828
  308    HD1  PHE  35          1HD       PHE  35   2.502   5.943   9.481
  309    HD2  PHE  35          2HD       PHE  35   3.258   4.277   5.576
  310    HE1  PHE  35          1HE       PHE  35   4.257   4.477  10.423
  311    HE2  PHE  35          2HE       PHE  35   4.847   2.703   6.532
  312    HZ   PHE  35           HZ       PHE  35   5.463   2.896   8.963
  313    H    LEU  36           H        LEU  36   2.381   8.635   4.644
  314    HA   LEU  36           HA       LEU  36   4.815   7.760   3.911
  315   1HB   LEU  36          2HB       LEU  36   3.431  10.399   3.383
  316   2HB   LEU  36          3HB       LEU  36   5.089  10.170   2.858
  317    HG   LEU  36           HG       LEU  36   2.700   8.542   1.975
  318   1HD1  LEU  36          1HD       LEU  36   2.510  10.172   0.471
  319   2HD1  LEU  36          2HD       LEU  36   3.961  10.980   1.058
  320   3HD1  LEU  36          3HD       LEU  36   4.122   9.748  -0.185
  321   1HD2  LEU  36          1HD       LEU  36   4.691   7.759   0.313
  322   2HD2  LEU  36          2HD       LEU  36   5.628   8.004   1.790
  323   3HD2  LEU  36          3HD       LEU  36   4.212   6.932   1.794
  324    H    GLU  37           H        GLU  37   4.754  11.140   5.195
  325    HA   GLU  37           HA       GLU  37   7.500  11.011   5.998
  326   1HB   GLU  37          2HB       GLU  37   5.159  12.806   6.700
  327   2HB   GLU  37          3HB       GLU  37   6.760  13.071   7.386
  328   1HG   GLU  37          2HG       GLU  37   6.890  12.711   4.461
  329   2HG   GLU  37          3HG       GLU  37   5.763  13.990   4.896
  330    H    GLU  38           H        GLU  38   4.899   9.389   7.419
  331    HA   GLU  38           HA       GLU  38   6.028   9.459  10.136
  332   1HB   GLU  38          2HB       GLU  38   3.423   9.699   9.188
  333   2HB   GLU  38          3HB       GLU  38   3.491   8.002   9.644
  334   1HG   GLU  38          2HG       GLU  38   3.952   8.518  11.912
  335   2HG   GLU  38          3HG       GLU  38   4.450  10.168  11.527
  336    H    HIS  39           HN       HIS  39   6.785   7.851   7.431
  337    HA   HIS  39           HA       HIS  39   6.597   5.123   8.391
  338   1HB   HIS  39          2HB       HIS  39   6.012   5.513   6.067
  339   2HB   HIS  39          3HB       HIS  39   7.551   6.273   5.776
  340    HD1  HIS  39           HND      HIS  39   8.625   4.741   4.102
  341    HD2  HIS  39           HD       HIS  39   6.980   2.637   7.318
  342    HE1  HIS  39           HE       HIS  39   9.195   2.323   3.715
  343    HA   PRO  40           HA       PRO  40  10.710   6.078   9.997
  344   1HB   PRO  40          2HB       PRO  40  11.011   3.804  11.568
  345   2HB   PRO  40          3HB       PRO  40  10.089   5.260  12.026
  346   1HG   PRO  40          2HG       PRO  40   9.063   2.621  11.114
  347   2HG   PRO  40          3HG       PRO  40   8.298   3.819  12.190
  348   1HD   PRO  40          2HD       PRO  40   7.752   3.405   9.444
  349   2HD   PRO  40          3HD       PRO  40   7.232   4.794  10.443
  350    H    GLY  41           H        GLY  41  11.536   5.877   7.756
  351   1HA   GLY  41          2HA       GLY  41  13.636   4.076   7.457
  352   2HA   GLY  41          3HA       GLY  41  12.224   3.279   6.731
  353    H    GLY  42           H        GLY  42  10.849   4.951   5.335
  354   1HA   GLY  42          2HA       GLY  42  12.429   6.822   3.803
  355   2HA   GLY  42          3HA       GLY  42  12.025   5.342   2.902
  356    H    GLU  43           H        GLU  43  10.734   6.943   1.612
  357    HA   GLU  43           HA       GLU  43   7.900   7.119   2.402
  358   1HB   GLU  43          2HB       GLU  43   9.776   9.502   1.960
  359   2HB   GLU  43          3HB       GLU  43   8.073   9.601   1.550
  360   1HG   GLU  43          2HG       GLU  43   7.601  10.120   3.637
  361   2HG   GLU  43          3HG       GLU  43   8.033   8.443   4.025
  362    H    GLU  44           H        GLU  44  10.289   8.406   0.394
  363    HA   GLU  44           HA       GLU  44   9.077   8.389  -2.183
  364   1HB   GLU  44          2HB       GLU  44  11.050   8.587  -3.175
  365   2HB   GLU  44          3HB       GLU  44  11.606   8.962  -1.563
  366   1HG   GLU  44          2HG       GLU  44  13.251   7.533  -2.454
  367   2HG   GLU  44          3HG       GLU  44  12.319   6.469  -1.413
  368    H    VAL  45           H        VAL  45  10.312   5.742  -0.308
  369    HA   VAL  45           HA       VAL  45  10.077   3.845  -2.507
  370    HB   VAL  45           HB       VAL  45   9.735   2.223  -0.643
  371   1HG1  VAL  45          1HG       VAL  45  12.400   3.602  -0.993
  372   2HG1  VAL  45          2HG       VAL  45  12.196   2.060  -0.116
  373   3HG1  VAL  45          3HG       VAL  45  11.790   2.170  -1.840
  374   1HG2  VAL  45          1HG       VAL  45  11.161   4.082   1.206
  375   2HG2  VAL  45          2HG       VAL  45   9.393   4.166   1.085
  376   3HG2  VAL  45          3HG       VAL  45  10.171   2.645   1.551
  377    H    LEU  46           H        LEU  46   7.626   5.111   0.211
  378    HA   LEU  46           HA       LEU  46   5.913   3.006  -0.875
  379   1HB   LEU  46          2HB       LEU  46   4.918   5.584   0.168
  380   2HB   LEU  46          3HB       LEU  46   4.260   3.950   0.377
  381    HG   LEU  46           HG       LEU  46   6.587   5.325   1.731
  382   1HD1  LEU  46          1HD       LEU  46   4.884   3.903   3.569
  383   2HD1  LEU  46          2HD       LEU  46   5.251   5.619   3.424
  384   3HD1  LEU  46          3HD       LEU  46   3.937   4.910   2.467
  385   1HD2  LEU  46          1HD       LEU  46   6.862   2.607   1.108
  386   2HD2  LEU  46          2HD       LEU  46   7.720   3.568   2.310
  387   3HD2  LEU  46          3HD       LEU  46   6.336   2.622   2.798
  388    H    ARG  47           H        ARG  47   7.017   5.976  -2.345
  389    HA   ARG  47           HA       ARG  47   4.820   6.197  -4.252
  390   1HB   ARG  47          2HB       ARG  47   7.520   7.592  -4.323
  391   2HB   ARG  47          3HB       ARG  47   6.094   7.933  -5.298
  392   1HG   ARG  47          2HG       ARG  47   4.812   8.272  -3.121
  393   2HG   ARG  47          3HG       ARG  47   6.368   8.268  -2.280
  394   1HD   ARG  47          2HD       ARG  47   6.059  10.093  -4.663
  395   2HD   ARG  47          3HD       ARG  47   5.147  10.482  -3.195
  396    HE   ARG  47           HE       ARG  47   7.932   9.923  -2.663
  397   1HH1  ARG  47          2HH       ARG  47   5.678  12.408  -3.738
  398   2HH1  ARG  47          1HH       ARG  47   6.571  13.742  -3.103
  399   1HH2  ARG  47          2HH       ARG  47   9.183  11.699  -1.798
  400   2HH2  ARG  47          1HH       ARG  47   8.631  13.319  -1.986
  401    H    GLU  48           H        GLU  48   8.001   4.583  -4.207
  402    HA   GLU  48           HA       GLU  48   8.107   4.402  -7.137
  403   1HB   GLU  48          2HB       GLU  48   9.700   3.450  -4.853
  404   2HB   GLU  48          3HB       GLU  48   9.597   2.234  -6.110
  405   1HG   GLU  48          2HG       GLU  48  10.193   5.008  -7.073
  406   2HG   GLU  48          3HG       GLU  48  11.425   4.265  -6.060
  407    H    GLN  49           H        GLN  49   6.509   2.570  -4.651
  408    HA   GLN  49           HA       GLN  49   5.587   0.586  -6.697
  409   1HB   GLN  49          2HB       GLN  49   5.662   0.406  -3.684
  410   2HB   GLN  49          3HB       GLN  49   5.250  -0.909  -4.818
  411   1HG   GLN  49          2HG       GLN  49   8.002   0.406  -4.586
  412   2HG   GLN  49          3HG       GLN  49   7.507  -1.080  -3.805
  413   1HE2  GLN  49          1HE       GLN  49   9.413  -2.074  -5.029
  414   2HE2  GLN  49          2HE       GLN  49   9.094  -2.501  -6.695
  415    H    ALA  50           H        ALA  50   4.661   3.407  -5.488
  416    HA   ALA  50           HA       ALA  50   2.126   2.981  -4.340
  417   1HB   ALA  50          1HB       ALA  50   1.592   5.291  -5.125
  418   2HB   ALA  50          2HB       ALA  50   3.088   5.162  -4.248
  419   3HB   ALA  50          3HB       ALA  50   3.140   5.294  -6.025
  420    H    GLY  51           H        GLY  51   0.067   2.882  -5.177
  421   1HA   GLY  51          2HA       GLY  51  -1.528   2.022  -6.516
  422   2HA   GLY  51          3HA       GLY  51  -0.799   2.923  -7.848
  423    H    GLY  52           H        GLY  52   1.200   0.458  -6.203
  424   1HA   GLY  52          2HA       GLY  52   0.883  -1.412  -8.453
  425   2HA   GLY  52          3HA       GLY  52   2.423  -0.558  -8.163
  426    H    ASP  53           H        ASP  53   2.943  -3.088  -7.942
  427    HA   ASP  53           HA       ASP  53   2.038  -4.184  -5.367
  428   1HB   ASP  53          2HB       ASP  53   2.235  -5.610  -7.438
  429   2HB   ASP  53          3HB       ASP  53   3.999  -5.500  -7.246
  430    H    ALA  54           H        ALA  54   2.992  -3.511  -3.586
  431    HA   ALA  54           HA       ALA  54   5.942  -3.030  -3.686
  432   1HB   ALA  54          1HB       ALA  54   4.149  -1.227  -2.898
  433   2HB   ALA  54          2HB       ALA  54   4.166  -2.183  -1.410
  434   3HB   ALA  54          3HB       ALA  54   5.680  -1.464  -2.029
  435    H    THR  55           H        THR  55   3.747  -5.446  -3.003
  436    HA   THR  55           HA       THR  55   4.513  -6.213  -0.340
  437    HB   THR  55           HB       THR  55   2.603  -7.025  -2.222
  438    HG1  THR  55          1HG       THR  55   2.636  -7.154   0.164
  439   1HG2  THR  55          1HG       THR  55   4.226  -8.592  -3.248
  440   2HG2  THR  55          2HG       THR  55   4.525  -9.299  -1.635
  441   3HG2  THR  55          3HG       THR  55   2.921  -9.453  -2.399
  442    H    GLU  56           H        GLU  56   5.774  -6.972  -3.600
  443    HA   GLU  56           HA       GLU  56   7.607  -8.923  -2.756
  444   1HB   GLU  56          2HB       GLU  56   7.780  -6.795  -4.909
  445   2HB   GLU  56          3HB       GLU  56   9.044  -8.012  -4.691
  446   1HG   GLU  56          2HG       GLU  56   6.373  -9.250  -4.726
  447   2HG   GLU  56          3HG       GLU  56   6.635  -8.273  -6.166
  448    H    ASN  57           H        ASN  57   7.894  -5.376  -2.477
  449    HA   ASN  57           HA       ASN  57  10.649  -5.495  -1.446
  450   1HB   ASN  57          2HB       ASN  57   8.576  -3.342  -1.891
  451   2HB   ASN  57          3HB       ASN  57   9.712  -3.087  -0.567
  452   1HD2  ASN  57          1HD       ASN  57  11.963  -2.847  -0.941
  453   2HD2  ASN  57          2HD       ASN  57  12.509  -2.472  -2.568
  454    H    PHE  58           H        PHE  58   7.810  -4.119  -0.074
  455    HA   PHE  58           HA       PHE  58   8.234  -4.443   2.773
  456   1HB   PHE  58          2HB       PHE  58   5.989  -3.965   1.901
  457   2HB   PHE  58          3HB       PHE  58   5.741  -5.689   1.633
  458    HD1  PHE  58          1HD       PHE  58   4.740  -6.997   3.389
  459    HD2  PHE  58          2HD       PHE  58   6.495  -3.180   4.334
  460    HE1  PHE  58          1HE       PHE  58   3.752  -7.091   5.651
  461    HE2  PHE  58          2HE       PHE  58   5.524  -3.290   6.607
  462    HZ   PHE  58           HZ       PHE  58   4.146  -5.237   7.277
  463    H    GLU  59           H        GLU  59   7.656  -7.487   0.898
  464    HA   GLU  59           HA       GLU  59   7.954  -9.160   3.317
  465   1HB   GLU  59          2HB       GLU  59   7.262  -9.621   0.419
  466   2HB   GLU  59          3HB       GLU  59   7.929 -10.941   1.315
  467   1HG   GLU  59          2HG       GLU  59   5.620  -9.444   2.524
  468   2HG   GLU  59          3HG       GLU  59   5.341 -10.570   1.185
  469    H    ASP  60           H        ASP  60   9.781  -8.561   0.220
  470    HA   ASP  60           HA       ASP  60  11.778 -10.490   0.498
  471   1HB   ASP  60          2HB       ASP  60  11.726  -7.683  -0.687
  472   2HB   ASP  60          3HB       ASP  60  13.251  -8.478  -0.486
  473    H    VAL  61           H        VAL  61  11.560  -7.189   1.771
  474    HA   VAL  61           HA       VAL  61  14.081  -7.495   3.141
  475    HB   VAL  61           HB       VAL  61  12.888  -5.334   2.195
  476   1HG1  VAL  61          1HG       VAL  61  11.702  -4.017   3.845
  477   2HG1  VAL  61          2HG       VAL  61  10.893  -5.583   3.633
  478   3HG1  VAL  61          3HG       VAL  61  11.902  -5.281   5.074
  479   1HG2  VAL  61          1HG       VAL  61  15.135  -5.368   3.201
  480   2HG2  VAL  61          2HG       VAL  61  14.223  -3.903   3.581
  481   3HG2  VAL  61          3HG       VAL  61  14.410  -5.176   4.815
  482    H    GLY  62           H        GLY  62  10.665  -7.869   4.210
  483   1HA   GLY  62          2HA       GLY  62  10.138  -9.497   5.777
  484   2HA   GLY  62          3HA       GLY  62  11.874  -9.751   6.105
  485    H    HIS  63           HN       HIS  63   9.549  -7.091   6.157
  486    HA   HIS  63           HA       HIS  63  10.822  -5.279   7.638
  487   1HB   HIS  63          2HB       HIS  63   7.939  -5.931   7.102
  488   2HB   HIS  63          3HB       HIS  63   8.205  -4.840   8.430
  489    HD1  HIS  63           HND      HIS  63   9.393  -4.866   4.786
  490    HD2  HIS  63           HD       HIS  63   8.032  -2.422   7.913
  491    HE1  HIS  63           HE       HIS  63   9.325  -2.518   3.855
  492    H    SER  64           H        SER  64   8.151  -7.040   9.257
  493    HA   SER  64           HA       SER  64   9.297  -8.131  11.481
  494   1HB   SER  64          2HB       SER  64   8.710  -6.137  13.133
  495   2HB   SER  64          3HB       SER  64  10.311  -6.275  12.408
  496    HG   SER  64           HG       SER  64   9.972  -4.538  11.293
  497    H    THR  65           H        THR  65   7.582  -8.127  13.401
  498    HA   THR  65           HA       THR  65   5.068  -8.852  12.173
  499    HB   THR  65           HB       THR  65   6.211  -8.866  14.994
  500    HG1  THR  65          1HG       THR  65   7.170 -10.355  13.619
  501   1HG2  THR  65          1HG       THR  65   4.382 -10.297  15.638
  502   2HG2  THR  65          2HG       THR  65   3.713  -8.771  15.044
  503   3HG2  THR  65          3HG       THR  65   3.677 -10.218  14.003
  504    H    ASP  66           H        ASP  66   6.140  -6.393  14.641
  505    HA   ASP  66           HA       ASP  66   3.664  -5.127  14.993
  506   1HB   ASP  66          2HB       ASP  66   6.542  -4.491  15.421
  507   2HB   ASP  66          3HB       ASP  66   5.522  -3.076  15.193
  508    H    ALA  67           H        ALA  67   6.021  -4.843  12.387
  509    HA   ALA  67           HA       ALA  67   4.838  -2.541  11.096
  510   1HB   ALA  67          1HB       ALA  67   6.959  -4.490  10.533
  511   2HB   ALA  67          2HB       ALA  67   5.984  -4.172   9.095
  512   3HB   ALA  67          3HB       ALA  67   6.764  -2.825   9.953
  513    H    ARG  68           H        ARG  68   4.481  -6.120  10.666
  514    HA   ARG  68           HA       ARG  68   2.548  -6.065   8.700
  515   1HB   ARG  68          2HB       ARG  68   3.597  -7.998  10.441
  516   2HB   ARG  68          3HB       ARG  68   1.837  -8.142  10.550
  517   1HG   ARG  68          2HG       ARG  68   1.583  -8.597   8.280
  518   2HG   ARG  68          3HG       ARG  68   3.105  -7.816   7.811
  519   1HD   ARG  68          2HD       ARG  68   4.438  -9.529   8.424
  520   2HD   ARG  68          3HD       ARG  68   3.305 -10.169   9.636
  521    HE   ARG  68           HE       ARG  68   1.976 -10.511   7.262
  522   1HH1  ARG  68          2HH       ARG  68   5.164 -11.451   8.426
  523   2HH1  ARG  68          1HH       ARG  68   5.242 -12.928   7.537
  524   1HH2  ARG  68          2HH       ARG  68   2.008 -12.529   6.106
  525   2HH2  ARG  68          1HH       ARG  68   3.392 -13.555   6.197
  526    H    GLU  69           H        GLU  69   2.205  -5.229  12.223
  527    HA   GLU  69           HA       GLU  69  -0.730  -5.306  12.215
  528   1HB   GLU  69          2HB       GLU  69   1.312  -4.200  14.208
  529   2HB   GLU  69          3HB       GLU  69  -0.422  -3.949  14.365
  530   1HG   GLU  69          2HG       GLU  69  -0.557  -6.541  13.996
  531   2HG   GLU  69          3HG       GLU  69   1.122  -6.526  14.553
  532    H    LEU  70           H        LEU  70   1.696  -2.583  12.004
  533    HA   LEU  70           HA       LEU  70  -0.157  -0.527  11.985
  534   1HB   LEU  70          2HB       LEU  70   2.579  -1.060  10.913
  535   2HB   LEU  70          3HB       LEU  70   1.701   0.232  10.138
  536    HG   LEU  70           HG       LEU  70   1.918   0.122  13.143
  537   1HD1  LEU  70          1HD       LEU  70   3.960   0.977  11.077
  538   2HD1  LEU  70          2HD       LEU  70   3.826   1.897  12.591
  539   3HD1  LEU  70          3HD       LEU  70   4.206   0.163  12.638
  540   1HD2  LEU  70          1HD       LEU  70   1.834   2.572  11.431
  541   2HD2  LEU  70          2HD       LEU  70   0.389   1.551  11.476
  542   3HD2  LEU  70          3HD       LEU  70   1.026   2.226  12.992
  543    H    SER  71           H        SER  71   0.710  -2.772   9.302
  544    HA   SER  71           HA       SER  71  -0.773  -1.571   7.275
  545   1HB   SER  71          2HB       SER  71  -1.146  -4.481   7.358
  546   2HB   SER  71          3HB       SER  71  -0.346  -3.450   6.156
  547    HG   SER  71           HG       SER  71   0.690  -4.821   8.276
  548    H    LYS  72           H        LYS  72  -2.037  -3.494  10.020
  549    HA   LYS  72           HA       LYS  72  -4.707  -3.729   9.054
  550   1HB   LYS  72          2HB       LYS  72  -3.575  -5.070  10.890
  551   2HB   LYS  72          3HB       LYS  72  -3.750  -3.677  11.950
  552   1HG   LYS  72          2HG       LYS  72  -6.286  -4.392  10.610
  553   2HG   LYS  72          3HG       LYS  72  -5.634  -5.712  11.570
  554   1HD   LYS  72          2HD       LYS  72  -5.719  -4.538  13.581
  555   2HD   LYS  72          3HD       LYS  72  -5.740  -2.944  12.810
  556   1HE   LYS  72          2HE       LYS  72  -7.991  -4.917  12.359
  557   2HE   LYS  72          3HE       LYS  72  -7.971  -3.887  13.801
  558   1HZ   LYS  72          1HZ       LYS  72  -7.667  -2.734  11.110
  559   2HZ   LYS  72          2HZ       LYS  72  -9.160  -2.993  11.768
  560   3HZ   LYS  72          3HZ       LYS  72  -8.081  -1.976  12.492
  561    H    THR  73           H        THR  73  -3.072  -0.890  10.106
  562    HA   THR  73           HA       THR  73  -5.661   0.486  10.516
  563    HB   THR  73           HB       THR  73  -3.972   0.503  12.378
  564    HG1  THR  73          1HG       THR  73  -4.910   2.898  11.222
  565   1HG2  THR  73          1HG       THR  73  -1.893   1.218  11.971
  566   2HG2  THR  73          2HG       THR  73  -2.299   1.792  10.342
  567   3HG2  THR  73          3HG       THR  73  -2.567   2.840  11.736
  568    H    PHE  74           H        PHE  74  -4.048  -0.284   7.993
  569    HA   PHE  74           HA       PHE  74  -4.167   2.351   6.589
  570   1HB   PHE  74          2HB       PHE  74  -2.053   0.176   6.475
  571   2HB   PHE  74          3HB       PHE  74  -2.177   1.478   5.290
  572    HD1  PHE  74          1HD       PHE  74  -2.731   3.807   7.126
  573    HD2  PHE  74          2HD       PHE  74   0.081   0.535   7.251
  574    HE1  PHE  74          1HE       PHE  74  -1.266   5.116   8.626
  575    HE2  PHE  74          2HE       PHE  74   1.589   1.909   8.678
  576    HZ   PHE  74           HZ       PHE  74   0.837   4.095   9.466
  577    H    ILE  75           H        ILE  75  -4.748  -1.204   6.386
  578    HA   ILE  75           HA       ILE  75  -5.224  -1.283   3.636
  579    HB   ILE  75           HB       ILE  75  -5.445  -2.993   5.840
  580   1HG1  ILE  75          2HG       ILE  75  -6.348  -3.689   3.046
  581   2HG1  ILE  75          3HG       ILE  75  -4.681  -3.331   3.414
  582   1HG2  ILE  75          1HG       ILE  75  -7.852  -2.510   6.148
  583   2HG2  ILE  75          2HG       ILE  75  -8.145  -2.942   4.435
  584   3HG2  ILE  75          3HG       ILE  75  -7.594  -4.157   5.596
  585   1HD1  ILE  75          1HD       ILE  75  -6.353  -5.619   4.494
  586   2HD1  ILE  75          2HD       ILE  75  -4.796  -5.690   3.649
  587   3HD1  ILE  75          3HD       ILE  75  -4.865  -5.102   5.312
  588    H    ILE  76           H        ILE  76  -6.459   0.019   2.469
  589    HA   ILE  76           HA       ILE  76  -8.935   1.144   3.683
  590    HB   ILE  76           HB       ILE  76  -8.917   2.765   1.901
  591   1HG1  ILE  76          2HG       ILE  76  -6.668   2.906   0.518
  592   2HG1  ILE  76          3HG       ILE  76  -6.503   1.206   0.836
  593   1HG2  ILE  76          1HG       ILE  76  -7.142   4.047   2.677
  594   2HG2  ILE  76          2HG       ILE  76  -7.534   2.972   4.040
  595   3HG2  ILE  76          3HG       ILE  76  -6.140   2.607   3.003
  596   1HD1  ILE  76          1HD       ILE  76  -9.007   2.506  -0.284
  597   2HD1  ILE  76          2HD       ILE  76  -7.660   2.008  -1.295
  598   3HD1  ILE  76          3HD       ILE  76  -8.549   0.772  -0.397
  599    H    GLY  77           H        GLY  77  -7.986  -1.577   1.961
  600   1HA   GLY  77          2HA       GLY  77 -10.414  -2.624   1.717
  601   2HA   GLY  77          3HA       GLY  77 -10.280  -1.695   0.188
  602    H    GLU  78           H        GLU  78 -10.235  -3.669  -1.070
  603    HA   GLU  78           HA       GLU  78  -7.572  -4.788  -1.185
  604   1HB   GLU  78          2HB       GLU  78  -8.631  -6.454   0.126
  605   2HB   GLU  78          3HB       GLU  78 -10.103  -6.406  -0.861
  606   1HG   GLU  78          2HG       GLU  78  -9.187  -7.560  -2.640
  607   2HG   GLU  78          3HG       GLU  78  -7.540  -7.252  -2.139
  608    H    LEU  79           H        LEU  79  -7.202  -5.756  -3.401
  609    HA   LEU  79           HA       LEU  79  -8.185  -4.012  -5.354
  610   1HB   LEU  79          2HB       LEU  79  -6.448  -6.469  -5.143
  611   2HB   LEU  79          3HB       LEU  79  -7.282  -6.287  -6.659
  612    HG   LEU  79           HG       LEU  79  -5.259  -5.336  -7.018
  613   1HD1  LEU  79          1HD       LEU  79  -5.728  -3.171  -7.747
  614   2HD1  LEU  79          2HD       LEU  79  -7.341  -3.948  -7.638
  615   3HD1  LEU  79          3HD       LEU  79  -6.792  -2.842  -6.373
  616   1HD2  LEU  79          1HD       LEU  79  -3.968  -4.687  -5.381
  617   2HD2  LEU  79          2HD       LEU  79  -4.821  -3.150  -5.362
  618   3HD2  LEU  79          3HD       LEU  79  -5.303  -4.461  -4.248
  619    H    HIS  80           H        HIS  80  -9.427  -4.529  -7.204
  620    HA   HIS  80           HA       HIS  80 -11.880  -5.714  -6.554
  621   1HB   HIS  80          2HB       HIS  80 -10.654  -4.357  -8.810
  622   2HB   HIS  80          3HB       HIS  80 -11.498  -5.745  -9.428
  623    HD1  HIS  80           HD1      HIS  80 -13.563  -4.553 -10.481
  624    HD2  HIS  80           HD2      HIS  80 -12.911  -3.765  -6.394
  625    HE1  HIS  80           HE1      HIS  80 -15.648  -3.340  -9.609
  626    HA   PRO  81           HA       PRO  81 -11.590  -9.914  -7.360
  627   1HB   PRO  81          2HB       PRO  81 -13.835 -10.602  -8.833
  628   2HB   PRO  81          3HB       PRO  81 -13.856 -10.167  -7.100
  629   1HG   PRO  81          2HG       PRO  81 -14.615  -8.481  -9.465
  630   2HG   PRO  81          3HG       PRO  81 -15.320  -8.496  -7.823
  631   1HD   PRO  81          2HD       PRO  81 -13.459  -6.694  -8.840
  632   2HD   PRO  81          3HD       PRO  81 -13.774  -6.918  -7.093
  633    H    ASP  82           H        ASP  82 -11.896  -7.857 -10.225
  634    HA   ASP  82           HA       ASP  82 -11.114  -9.575 -12.235
  635   1HB   ASP  82          2HB       ASP  82 -10.390  -6.653 -11.791
  636   2HB   ASP  82          3HB       ASP  82 -10.198  -7.519 -13.316
  637    H    ASP  83           H        ASP  83  -9.086  -7.899  -9.819
  638    HA   ASP  83           HA       ASP  83  -6.514  -8.728 -10.916
  639   1HB   ASP  83          2HB       ASP  83  -6.721  -6.762  -9.510
  640   2HB   ASP  83          3HB       ASP  83  -7.490  -7.698  -8.242
  641    H    ARG  84           H        ARG  84  -9.050 -10.254  -9.099
  642    HA   ARG  84           HA       ARG  84  -7.234 -12.268  -7.972
  643   1HB   ARG  84          2HB       ARG  84  -9.318 -11.093  -6.802
  644   2HB   ARG  84          3HB       ARG  84 -10.241 -12.322  -7.676
  645   1HG   ARG  84          2HG       ARG  84  -8.250 -13.888  -6.679
  646   2HG   ARG  84          3HG       ARG  84  -8.191 -12.605  -5.476
  647   1HD   ARG  84          2HD       ARG  84 -10.094 -13.312  -4.476
  648   2HD   ARG  84          3HD       ARG  84 -10.960 -13.504  -5.997
  649    HE   ARG  84           HE       ARG  84  -9.467 -15.521  -4.516
  650   1HH1  ARG  84          2HH       ARG  84 -10.594 -14.679  -7.761
  651   2HH1  ARG  84          1HH       ARG  84 -10.887 -16.277  -8.276
  652   1HH2  ARG  84          2HH       ARG  84  -9.543 -17.719  -5.314
  653   2HH2  ARG  84          1HH       ARG  84 -10.163 -18.045  -6.893
  654    H    SER  85           H        SER  85  -7.367 -12.223 -10.814
  655    HA   SER  85           HA       SER  85  -7.176 -13.902 -12.371
  656   1HB   SER  85          2HB       SER  85  -7.352 -15.532 -10.349
  657   2HB   SER  85          3HB       SER  85  -9.034 -15.758 -10.867
  658    HG   SER  85           HG       SER  85  -6.647 -16.304 -12.290
  659    H    LYS  86           H        LYS  86  -8.832 -11.798 -12.805
  660    HA   LYS  86           HA       LYS  86 -10.791 -12.988 -14.624
  661   1HB   LYS  86          2HB       LYS  86 -11.508 -11.769 -12.016
  662   2HB   LYS  86          3HB       LYS  86 -12.415 -11.068 -13.326
  663   1HG   LYS  86          2HG       LYS  86 -12.367 -14.024 -13.459
  664   2HG   LYS  86          3HG       LYS  86 -13.015 -13.383 -11.956
  665   1HD   LYS  86          2HD       LYS  86 -14.904 -13.529 -13.246
  666   2HD   LYS  86          3HD       LYS  86 -14.490 -11.839 -13.514
  667   1HE   LYS  86          2HE       LYS  86 -13.600 -14.140 -15.312
  668   2HE   LYS  86          3HE       LYS  86 -15.112 -13.267 -15.575
  669   1HZ   LYS  86          1HZ       LYS  86 -13.034 -12.518 -16.831
  670   2HZ   LYS  86          2HZ       LYS  86 -13.992 -11.361 -16.163
  671   3HZ   LYS  86          3HZ       LYS  86 -12.595 -11.770 -15.428
  672    H    LEU  87           H        LEU  87  -8.647 -11.836 -15.652
  673    HA   LEU  87           HA       LEU  87  -9.453  -9.036 -16.317
  674   1HB   LEU  87          2HB       LEU  87  -6.778 -10.235 -15.618
  675   2HB   LEU  87          3HB       LEU  87  -6.839  -8.913 -16.786
  676    HG   LEU  87           HG       LEU  87  -8.393  -8.589 -14.235
  677   1HD1  LEU  87          1HD       LEU  87  -6.435  -7.719 -13.063
  678   2HD1  LEU  87          2HD       LEU  87  -6.189  -9.418 -13.486
  679   3HD1  LEU  87          3HD       LEU  87  -5.386  -8.145 -14.438
  680   1HD2  LEU  87          1HD       LEU  87  -7.786  -6.229 -14.580
  681   2HD2  LEU  87          2HD       LEU  87  -6.759  -6.675 -15.959
  682   3HD2  LEU  87          3HD       LEU  87  -8.521  -6.894 -16.047
  683    H    SER  88           H        SER  88  -9.818  -8.711 -18.436
  684    HA   SER  88           HA       SER  88 -10.298  -9.194 -20.526
  685   1HB   SER  88          2HB       SER  88  -7.650 -10.520 -20.928
  686   2HB   SER  88          3HB       SER  88  -8.471  -9.225 -21.836
  687    HG   SER  88           HG       SER  88  -6.538  -8.817 -20.296
  688    H    LYS  89           H        LYS  89 -10.002 -11.109 -22.381
  689    HA   LYS  89           HA       LYS  89  -9.772 -13.746 -21.403
  690   1HB   LYS  89          2HB       LYS  89 -12.083 -13.347 -20.509
  691   2HB   LYS  89          3HB       LYS  89 -12.608 -12.849 -22.113
  692   1HG   LYS  89          2HG       LYS  89 -13.338 -15.101 -21.752
  693   2HG   LYS  89          3HG       LYS  89 -12.027 -15.178 -22.931
  694   1HD   LYS  89          2HD       LYS  89 -10.461 -15.730 -20.981
  695   2HD   LYS  89          3HD       LYS  89 -11.901 -15.857 -19.955
  696   1HE   LYS  89          2HE       LYS  89 -12.801 -17.636 -21.371
  697   2HE   LYS  89          3HE       LYS  89 -11.533 -17.366 -22.576
  698   1HZ   LYS  89          1HZ       LYS  89  -9.933 -18.012 -20.790
  699   2HZ   LYS  89          2HZ       LYS  89 -11.213 -18.536 -19.895
  700   3HZ   LYS  89          3HZ       LYS  89 -10.888 -19.222 -21.356
  701    HA   PRO  90           HA       PRO  90  -9.150 -13.383 -25.912
  702   1HB   PRO  90          2HB       PRO  90  -7.711 -15.716 -26.260
  703   2HB   PRO  90          3HB       PRO  90  -6.999 -14.160 -25.745
  704   1HG   PRO  90          2HG       PRO  90  -7.598 -16.579 -24.091
  705   2HG   PRO  90          3HG       PRO  90  -6.333 -15.336 -23.871
  706   1HD   PRO  90          2HD       PRO  90  -8.812 -15.511 -22.509
  707   2HD   PRO  90          3HD       PRO  90  -7.713 -14.098 -22.504
  708    H    MET  91           H        MET  91 -11.084 -13.789 -26.920
  709    HA   MET  91           HA       MET  91 -12.112 -16.566 -26.918
  710   1HB   MET  91          2HB       MET  91 -13.400 -14.810 -25.391
  711   2HB   MET  91          3HB       MET  91 -13.942 -14.151 -26.939
  712   1HG   MET  91          2HG       MET  91 -14.512 -16.722 -27.415
  713   2HG   MET  91          3HG       MET  91 -14.522 -16.819 -25.662
  714   1HE   MET  91          1HE       MET  91 -16.259 -16.804 -28.523
  715   2HE   MET  91          2HE       MET  91 -17.693 -17.194 -27.564
  716   3HE   MET  91          3HE       MET  91 -17.631 -15.696 -28.523
  717    H    GLU  92           H        GLU  92 -13.368 -16.987 -29.003
  718    HA   GLU  92           HA       GLU  92 -13.085 -14.990 -31.098
  719   1HB   GLU  92          2HB       GLU  92 -11.936 -16.524 -32.602
  720   2HB   GLU  92          3HB       GLU  92 -10.965 -16.258 -31.159
  721   1HG   GLU  92          2HG       GLU  92 -10.744 -18.499 -31.112
  722   2HG   GLU  92          3HG       GLU  92 -12.344 -18.516 -30.385
  723    H    THR  93           H        THR  93 -14.289 -15.907 -33.099
  724    HA   THR  93           HA       THR  93 -16.332 -17.901 -32.429
  725    HB   THR  93           HB       THR  93 -17.002 -14.995 -33.079
  726    HG1  THR  93          1HG       THR  93 -17.925 -14.991 -31.106
  727   1HG2  THR  93          1HG       THR  93 -18.731 -17.490 -33.074
  728   2HG2  THR  93          2HG       THR  93 -19.418 -15.880 -32.764
  729   3HG2  THR  93          3HG       THR  93 -18.617 -16.214 -34.307
  730    H    LEU  94           H        LEU  94 -15.504 -15.309 -34.919
  731    HA   LEU  94           HA       LEU  94 -15.002 -17.231 -36.916
  732   1HB   LEU  94          2HB       LEU  94 -17.713 -16.938 -36.585
  733   2HB   LEU  94          3HB       LEU  94 -17.396 -15.557 -37.624
  734    HG   LEU  94           HG       LEU  94 -15.969 -17.774 -38.776
  735   1HD1  LEU  94          1HD       LEU  94 -18.774 -18.502 -37.836
  736   2HD1  LEU  94          2HD       LEU  94 -17.891 -19.372 -39.108
  737   3HD1  LEU  94          3HD       LEU  94 -17.244 -19.324 -37.457
  738   1HD2  LEU  94          1HD       LEU  94 -17.752 -17.535 -40.565
  739   2HD2  LEU  94          2HD       LEU  94 -18.523 -16.310 -39.528
  740   3HD2  LEU  94          3HD       LEU  94 -16.868 -16.059 -40.137
  741    HHA  HEM  95          MHG       HEM  95  11.825   0.642   8.339
  742    HHB  HEM  95          MHD       HEM  95   5.506   0.044   9.349
  743    HHC  HEM  95          MHA       HEM  95   4.620  -1.061   3.105
  744    HHD  HEM  95          MHB       HEM  95  10.873   0.069   1.981
  745   1HMA  HEM  95          1HM       HEM  95   8.045   0.577  12.120
  746   2HMA  HEM  95          2HM       HEM  95   6.629   1.132  11.233
  747   3HMA  HEM  95          3HM       HEM  95   6.917  -0.607  11.445
  748   1HAA  HEM  95          1HP       HEM  95  10.135   0.383  11.797
  749   2HAA  HEM  95          2HP       HEM  95  11.274   1.131  10.697
  750   1HBA  HEM  95          3HP       HEM  95  12.088  -0.976   9.935
  751   2HBA  HEM  95          4HP       HEM  95  10.666  -1.833  10.543
  752   1HMB  HEM  95          1HM       HEM  95   3.238  -1.311   8.712
  753   2HMB  HEM  95          2HM       HEM  95   3.280   0.473   8.686
  754   3HMB  HEM  95          3HM       HEM  95   2.132  -0.415   7.651
  755    HAB  HEM  95          AHT       HEM  95   2.357  -0.579   4.204
  756   1HBB  HEM  95          CHV       HEM  95   2.547  -2.916   6.162
  757   2HBB  HEM  95          THV       HEM  95   1.247  -2.615   4.858
  758   1HMC  HEM  95          1HM       HEM  95   5.172  -2.027   1.213
  759   2HMC  HEM  95          2HM       HEM  95   5.438  -0.632   0.165
  760   3HMC  HEM  95          3HM       HEM  95   6.446  -2.108   0.009
  761    HAC  HEM  95          AHT       HEM  95  10.008  -0.751   0.062
  762   1HBC  HEM  95          THV       HEM  95   8.936  -0.066  -1.949
  763   2HBC  HEM  95          CHV       HEM  95   7.281  -0.019  -1.102
  764   1HMD  HEM  95          1HM       HEM  95  14.256   0.640   3.619
  765   2HMD  HEM  95          2HM       HEM  95  13.119  -0.046   2.452
  766   3HMD  HEM  95          3HM       HEM  95  13.119   1.706   2.761
  767   1HAD  HEM  95          1HP       HEM  95  13.522   1.574   7.262
  768   2HAD  HEM  95          2HP       HEM  95  14.265   1.753   5.692
  769   1HBD  HEM  95          3HP       HEM  95  14.875  -0.132   7.719
  770   2HBD  HEM  95          4HP       HEM  95  15.586  -0.015   6.108
  Start of MODEL   17
    1   1H    ASP   1           H1       ASP   1 -20.868  -0.682   3.367
    2   2H    ASP   1           H2       ASP   1 -22.311  -0.527   2.575
    3   3H    ASP   1           H3       ASP   1 -21.680   0.775   3.294
    4    HA   ASP   1           HA       ASP   1 -21.916  -0.300   5.474
    5   1HB   ASP   1          2HB       ASP   1 -24.556  -0.292   5.333
    6   2HB   ASP   1          3HB       ASP   1 -23.614   1.196   5.220
    7    H    LYS   2           H        LYS   2 -21.219  -2.348   5.879
    8    HA   LYS   2           HA       LYS   2 -21.060  -4.602   5.947
    9   1HB   LYS   2          2HB       LYS   2 -23.714  -4.783   4.462
   10   2HB   LYS   2          3HB       LYS   2 -22.765  -6.132   5.030
   11   1HG   LYS   2          2HG       LYS   2 -23.201  -5.787   7.239
   12   2HG   LYS   2          3HG       LYS   2 -23.415  -4.050   7.085
   13   1HD   LYS   2          2HD       LYS   2 -25.499  -5.632   5.645
   14   2HD   LYS   2          3HD       LYS   2 -25.437  -5.898   7.386
   15   1HE   LYS   2          2HE       LYS   2 -26.805  -4.073   7.417
   16   2HE   LYS   2          3HE       LYS   2 -25.245  -3.261   7.513
   17   1HZ   LYS   2          1HZ       LYS   2 -25.424  -3.105   4.984
   18   2HZ   LYS   2          2HZ       LYS   2 -27.007  -3.522   5.172
   19   3HZ   LYS   2          3HZ       LYS   2 -26.429  -2.150   5.856
   20    H    ASP   3           H        ASP   3 -19.271  -3.565   4.523
   21    HA   ASP   3           HA       ASP   3 -18.829  -5.300   2.388
   22   1HB   ASP   3          2HB       ASP   3 -20.286  -2.894   1.605
   23   2HB   ASP   3          3HB       ASP   3 -18.654  -2.793   0.963
   24    H    VAL   4           H        VAL   4 -16.738  -4.262   1.097
   25    HA   VAL   4           HA       VAL   4 -15.032  -2.955   3.164
   26    HB   VAL   4           HB       VAL   4 -14.010  -4.583   0.824
   27   1HG1  VAL   4          1HG       VAL   4 -11.952  -4.549   1.958
   28   2HG1  VAL   4          2HG       VAL   4 -12.571  -2.937   2.390
   29   3HG1  VAL   4          3HG       VAL   4 -12.703  -4.262   3.537
   30   1HG2  VAL   4          1HG       VAL   4 -13.666  -6.456   2.443
   31   2HG2  VAL   4          2HG       VAL   4 -14.749  -5.616   3.583
   32   3HG2  VAL   4          3HG       VAL   4 -15.353  -6.187   2.008
   33    H    LYS   5           H        LYS   5 -13.324  -2.774   0.520
   34    HA   LYS   5           HA       LYS   5 -14.640  -0.328  -0.550
   35   1HB   LYS   5          2HB       LYS   5 -11.949  -0.710   0.517
   36   2HB   LYS   5          3HB       LYS   5 -11.976   0.116  -1.027
   37   1HG   LYS   5          2HG       LYS   5 -13.367   0.996   1.532
   38   2HG   LYS   5          3HG       LYS   5 -11.999   1.765   0.716
   39   1HD   LYS   5          2HD       LYS   5 -13.484   3.100  -0.253
   40   2HD   LYS   5          3HD       LYS   5 -13.856   1.729  -1.314
   41   1HE   LYS   5          2HE       LYS   5 -15.570   1.047   0.534
   42   2HE   LYS   5          3HE       LYS   5 -15.254   2.644   1.229
   43   1HZ   LYS   5          1HZ       LYS   5 -16.367   2.044  -1.430
   44   2HZ   LYS   5          2HZ       LYS   5 -17.106   2.842  -0.192
   45   3HZ   LYS   5          3HZ       LYS   5 -15.854   3.546  -1.004
   46    H    TYR   6           H        TYR   6 -13.030  -3.314  -1.362
   47    HA   TYR   6           HA       TYR   6 -12.214  -4.110  -3.347
   48   1HB   TYR   6          2HB       TYR   6 -15.166  -3.497  -3.724
   49   2HB   TYR   6          3HB       TYR   6 -14.241  -4.588  -4.754
   50    HD1  TYR   6           HD1      TYR   6 -12.686  -6.321  -3.299
   51    HD2  TYR   6           HD2      TYR   6 -16.491  -4.641  -2.090
   52    HE1  TYR   6           HE1      TYR   6 -12.983  -8.140  -1.675
   53    HE2  TYR   6           HE2      TYR   6 -16.767  -6.472  -0.444
   54    HH   TYR   6           HH       TYR   6 -14.027  -8.505   0.394
   55    H    TYR   7           H        TYR   7 -10.602  -2.560  -4.285
   56    HA   TYR   7           HA       TYR   7 -11.819  -0.703  -6.182
   57   1HB   TYR   7          2HB       TYR   7  -9.285  -0.811  -4.500
   58   2HB   TYR   7          3HB       TYR   7  -9.397   0.168  -5.911
   59    HD1  TYR   7           HD1      TYR   7 -12.008   1.399  -5.948
   60    HD2  TYR   7           HD2      TYR   7  -9.509   0.513  -2.549
   61    HE1  TYR   7           HE1      TYR   7 -13.018   3.287  -4.732
   62    HE2  TYR   7           HE2      TYR   7 -10.600   2.370  -1.299
   63    HH   TYR   7           HH       TYR   7 -11.812   4.361  -1.582
   64    H    THR   8           H        THR   8 -10.748  -0.459  -8.211
   65    HA   THR   8           HA       THR   8  -9.923  -3.091  -9.287
   66    HB   THR   8           HB       THR   8 -10.398  -2.074 -11.448
   67    HG1  THR   8          1HG       THR   8 -11.351   0.303 -10.381
   68   1HG2  THR   8          1HG       THR   8 -12.633  -1.342  -9.492
   69   2HG2  THR   8          2HG       THR   8 -12.795  -1.577 -11.243
   70   3HG2  THR   8          3HG       THR   8 -12.346  -2.941 -10.209
   71    H    LEU   9           H        LEU   9  -7.879  -3.230 -10.459
   72    HA   LEU   9           HA       LEU   9  -5.723  -1.829  -9.565
   73   1HB   LEU   9          2HB       LEU   9  -5.831  -2.691 -12.466
   74   2HB   LEU   9          3HB       LEU   9  -4.434  -2.496 -11.423
   75    HG   LEU   9           HG       LEU   9  -4.726  -4.791 -11.582
   76   1HD1  LEU   9          1HD       LEU   9  -4.341  -4.035  -9.259
   77   2HD1  LEU   9          2HD       LEU   9  -6.099  -3.995  -8.991
   78   3HD1  LEU   9          3HD       LEU   9  -5.294  -5.535  -9.308
   79   1HD2  LEU   9          1HD       LEU   9  -7.445  -5.179 -10.608
   80   2HD2  LEU   9          2HD       LEU   9  -7.427  -4.209 -12.112
   81   3HD2  LEU   9          3HD       LEU   9  -6.657  -5.787 -12.067
   82    H    GLU  10           H        GLU  10  -7.832  -0.827 -12.294
   83    HA   GLU  10           HA       GLU  10  -6.258   1.429 -13.095
   84   1HB   GLU  10          2HB       GLU  10  -9.153   0.610 -13.425
   85   2HB   GLU  10          3HB       GLU  10  -8.672   2.275 -13.766
   86   1HG   GLU  10          2HG       GLU  10  -6.773   1.256 -15.217
   87   2HG   GLU  10          3HG       GLU  10  -7.687  -0.254 -15.121
   88    H    GLU  11           H        GLU  11  -8.765   1.027 -10.551
   89    HA   GLU  11           HA       GLU  11  -8.875   3.813  -9.980
   90   1HB   GLU  11          2HB       GLU  11 -10.554   2.056  -9.224
   91   2HB   GLU  11          3HB       GLU  11  -9.378   1.532  -8.021
   92   1HG   GLU  11          2HG       GLU  11 -10.947   3.049  -6.991
   93   2HG   GLU  11          3HG       GLU  11  -9.368   3.821  -7.041
   94    H    ILE  12           H        ILE  12  -6.966   1.137  -8.448
   95    HA   ILE  12           HA       ILE  12  -5.712   2.875  -6.587
   96    HB   ILE  12           HB       ILE  12  -4.789   0.240  -7.743
   97   1HG1  ILE  12          2HG       ILE  12  -5.882   0.203  -5.007
   98   2HG1  ILE  12          3HG       ILE  12  -6.983   0.963  -6.101
   99   1HG2  ILE  12          1HG       ILE  12  -2.877   0.626  -6.657
  100   2HG2  ILE  12          2HG       ILE  12  -3.560   1.947  -5.652
  101   3HG2  ILE  12          3HG       ILE  12  -3.758   0.252  -5.190
  102   1HD1  ILE  12          1HD       ILE  12  -7.633  -1.261  -6.339
  103   2HD1  ILE  12          2HD       ILE  12  -6.427  -1.171  -7.635
  104   3HD1  ILE  12          3HD       ILE  12  -6.001  -1.866  -6.093
  105    H    LYS  13           H        LYS  13  -5.006   2.207  -9.960
  106    HA   LYS  13           HA       LYS  13  -2.373   3.416 -10.001
  107   1HB   LYS  13          2HB       LYS  13  -4.362   2.507 -12.090
  108   2HB   LYS  13          3HB       LYS  13  -2.839   3.277 -12.553
  109   1HG   LYS  13          2HG       LYS  13  -1.500   1.556 -11.681
  110   2HG   LYS  13          3HG       LYS  13  -2.735   1.022 -10.552
  111   1HD   LYS  13          2HD       LYS  13  -3.089  -0.664 -11.947
  112   2HD   LYS  13          3HD       LYS  13  -4.010   0.485 -12.912
  113   1HE   LYS  13          2HE       LYS  13  -1.388   0.882 -13.795
  114   2HE   LYS  13          3HE       LYS  13  -1.411  -0.841 -13.398
  115   1HZ   LYS  13          1HZ       LYS  13  -2.250  -0.993 -15.457
  116   2HZ   LYS  13          2HZ       LYS  13  -3.683  -0.585 -14.761
  117   3HZ   LYS  13          3HZ       LYS  13  -2.778   0.565 -15.508
  118    H    LYS  14           H        LYS  14  -5.108   5.016  -9.203
  119    HA   LYS  14           HA       LYS  14  -3.997   7.484 -10.437
  120   1HB   LYS  14          2HB       LYS  14  -6.079   8.329 -10.991
  121   2HB   LYS  14          3HB       LYS  14  -6.208   6.626 -11.428
  122   1HG   LYS  14          2HG       LYS  14  -7.060   6.614  -8.787
  123   2HG   LYS  14          3HG       LYS  14  -7.603   8.193  -9.292
  124   1HD   LYS  14          2HD       LYS  14  -8.256   5.869 -11.115
  125   2HD   LYS  14          3HD       LYS  14  -8.983   5.940  -9.516
  126   1HE   LYS  14          2HE       LYS  14  -9.619   8.364 -10.039
  127   2HE   LYS  14          3HE       LYS  14  -9.299   7.957 -11.738
  128   1HZ   LYS  14          1HZ       LYS  14 -10.960   6.210 -11.541
  129   2HZ   LYS  14          2HZ       LYS  14 -11.107   6.432  -9.948
  130   3HZ   LYS  14          3HZ       LYS  14 -11.645   7.609 -10.968
  131    H    HIS  15           H        HIS  15  -3.788   5.972  -7.670
  132    HA   HIS  15           HA       HIS  15  -4.534   8.332  -5.986
  133   1HB   HIS  15          2HB       HIS  15  -4.517   5.376  -5.512
  134   2HB   HIS  15          3HB       HIS  15  -4.326   6.481  -4.142
  135    HD1  HIS  15           HD1      HIS  15  -6.379   8.039  -3.482
  136    HD2  HIS  15           HD2      HIS  15  -7.015   5.179  -6.491
  137    HE1  HIS  15           HE1      HIS  15  -8.908   7.926  -3.858
  138    H    ASN  16           H        ASN  16  -2.245   8.145  -7.636
  139    HA   ASN  16           HA       ASN  16  -0.067   8.176  -5.599
  140   1HB   ASN  16          2HB       ASN  16   0.291   8.002  -8.611
  141   2HB   ASN  16          3HB       ASN  16   1.465   7.662  -7.335
  142   1HD2  ASN  16          1HD       ASN  16   0.824   5.901  -9.531
  143   2HD2  ASN  16          2HD       ASN  16   0.288   4.444  -8.732
  144    H    HIS  17           H        HIS  17  -0.734  10.359  -4.974
  145    HA   HIS  17           HA       HIS  17   0.138  12.508  -6.818
  146   1HB   HIS  17          2HB       HIS  17  -2.210  12.461  -4.895
  147   2HB   HIS  17          3HB       HIS  17  -1.618  13.919  -5.684
  148    HD1  HIS  17           HD1      HIS  17  -1.993  14.100  -8.364
  149    HD2  HIS  17           HD2      HIS  17  -3.693  10.759  -6.426
  150    HE1  HIS  17           HE1      HIS  17  -3.648  13.054 -10.003
  151    H    SER  18           H        SER  18   0.402  14.589  -5.237
  152    HA   SER  18           HA       SER  18   2.667  14.263  -3.739
  153   1HB   SER  18          2HB       SER  18   0.468  16.308  -3.861
  154   2HB   SER  18          3HB       SER  18   1.685  16.469  -2.580
  155    HG   SER  18           HG       SER  18   2.351  17.538  -4.466
  156    H    LYS  19           H        LYS  19  -0.592  13.597  -2.548
  157    HA   LYS  19           HA       LYS  19   0.692  12.896   0.053
  158   1HB   LYS  19          2HB       LYS  19  -1.535  14.670  -0.274
  159   2HB   LYS  19          3HB       LYS  19  -2.202  13.163   0.312
  160   1HG   LYS  19          2HG       LYS  19  -1.726  14.089   2.306
  161   2HG   LYS  19          3HG       LYS  19  -0.205  13.246   2.062
  162   1HD   LYS  19          2HD       LYS  19   0.959  15.209   2.039
  163   2HD   LYS  19          3HD       LYS  19  -0.145  15.943   0.863
  164   1HE   LYS  19          2HE       LYS  19  -1.827  16.186   2.801
  165   2HE   LYS  19          3HE       LYS  19  -0.494  15.752   3.880
  166   1HZ   LYS  19          1HZ       LYS  19   0.703  17.676   2.771
  167   2HZ   LYS  19          2HZ       LYS  19  -0.767  18.135   2.182
  168   3HZ   LYS  19          3HZ       LYS  19  -0.519  18.059   3.805
  169    H    SER  20           H        SER  20  -2.443  12.124  -1.522
  170    HA   SER  20           HA       SER  20  -2.916   9.635  -0.903
  171   1HB   SER  20          2HB       SER  20  -3.177  10.750  -3.695
  172   2HB   SER  20          3HB       SER  20  -4.123   9.434  -2.957
  173    HG   SER  20           HG       SER  20  -5.285  11.308  -2.641
  174    H    THR  21           H        THR  21  -1.510   7.985  -0.702
  175    HA   THR  21           HA       THR  21   0.141   7.151  -2.993
  176    HB   THR  21           HB       THR  21   0.974   7.906  -0.176
  177    HG1  THR  21          1HG       THR  21   1.273   9.434  -1.740
  178   1HG2  THR  21          1HG       THR  21   2.031   5.707  -1.912
  179   2HG2  THR  21          2HG       THR  21   3.237   6.817  -1.279
  180   3HG2  THR  21          3HG       THR  21   2.155   5.969  -0.143
  181    H    TRP  22           H        TRP  22  -1.668   5.809  -3.246
  182    HA   TRP  22           HA       TRP  22  -2.070   3.652  -1.242
  183   1HB   TRP  22          2HB       TRP  22  -3.196   4.249  -3.997
  184   2HB   TRP  22          3HB       TRP  22  -3.474   2.715  -3.193
  185    HD1  TRP  22           HD1      TRP  22  -3.597   5.297  -0.591
  186    HE1  TRP  22           HE1      TRP  22  -5.986   5.861   0.036
  187    HE3  TRP  22           HE3      TRP  22  -5.940   2.923  -4.431
  188    HZ2  TRP  22           HZ2      TRP  22  -8.625   5.582  -1.186
  189    HZ3  TRP  22           HZ3      TRP  22  -8.411   3.116  -4.716
  190    HH2  TRP  22           HH2      TRP  22  -9.724   4.505  -3.168
  191    H    LEU  23           H        LEU  23  -1.953   1.411  -2.338
  192    HA   LEU  23           HA       LEU  23  -0.204   0.902  -4.514
  193   1HB   LEU  23          2HB       LEU  23   1.691  -0.089  -3.180
  194   2HB   LEU  23          3HB       LEU  23   1.596   1.647  -3.138
  195    HG   LEU  23           HG       LEU  23   0.318   1.398  -0.864
  196   1HD1  LEU  23          1HD       LEU  23   0.952  -0.730   0.284
  197   2HD1  LEU  23          2HD       LEU  23  -0.206  -0.953  -1.012
  198   3HD1  LEU  23          3HD       LEU  23   1.487  -1.346  -1.315
  199   1HD2  LEU  23          1HD       LEU  23   2.523   0.908   0.294
  200   2HD2  LEU  23          2HD       LEU  23   3.241   0.725  -1.310
  201   3HD2  LEU  23          3HD       LEU  23   2.509   2.277  -0.830
  202    H    ILE  24           H        ILE  24   0.450  -1.778  -4.129
  203    HA   ILE  24           HA       ILE  24  -1.958  -3.135  -3.125
  204    HB   ILE  24           HB       ILE  24  -0.028  -3.623  -5.477
  205   1HG1  ILE  24          2HG       ILE  24  -1.655  -2.663  -6.606
  206   2HG1  ILE  24          3HG       ILE  24  -2.391  -4.262  -6.393
  207   1HG2  ILE  24          1HG       ILE  24  -1.191  -5.827  -5.831
  208   2HG2  ILE  24          2HG       ILE  24  -0.209  -5.799  -4.399
  209   3HG2  ILE  24          3HG       ILE  24  -1.970  -5.570  -4.257
  210   1HD1  ILE  24          1HD       ILE  24  -3.955  -2.402  -6.085
  211   2HD1  ILE  24          2HD       ILE  24  -3.849  -3.477  -4.666
  212   3HD1  ILE  24          3HD       ILE  24  -3.076  -1.876  -4.663
  213    H    LEU  25           H        LEU  25  -0.860  -3.109  -0.998
  214    HA   LEU  25           HA       LEU  25   1.590  -4.734  -1.036
  215   1HB   LEU  25          2HB       LEU  25   0.221  -3.019   0.971
  216   2HB   LEU  25          3HB       LEU  25   0.864  -4.545   1.612
  217    HG   LEU  25           HG       LEU  25   2.503  -2.649  -0.108
  218   1HD1  LEU  25          1HD       LEU  25   2.621  -1.276   1.649
  219   2HD1  LEU  25          2HD       LEU  25   1.648  -2.371   2.640
  220   3HD1  LEU  25          3HD       LEU  25   3.419  -2.589   2.548
  221   1HD2  LEU  25          1HD       LEU  25   3.098  -5.082   0.126
  222   2HD2  LEU  25          2HD       LEU  25   4.337  -3.874   0.439
  223   3HD2  LEU  25          3HD       LEU  25   3.522  -4.725   1.800
  224    H    HIS  26           H        HIS  26   1.260  -6.775  -1.351
  225    HA   HIS  26           HA       HIS  26   0.310  -8.813  -1.534
  226   1HB   HIS  26          2HB       HIS  26  -1.014  -7.900   1.053
  227   2HB   HIS  26          3HB       HIS  26  -1.383  -9.450   0.330
  228    HD1  HIS  26           HD1      HIS  26   0.457 -11.347   0.484
  229    HD2  HIS  26           HD2      HIS  26   1.501  -7.613   2.142
  230    HE1  HIS  26           HE1      HIS  26   2.590 -11.716   1.849
  231    H    HIS  27           H        HIS  27  -1.829  -9.372  -2.909
  232    HA   HIS  27           HA       HIS  27  -3.880  -8.826  -3.414
  233   1HB   HIS  27          2HB       HIS  27  -5.183 -10.733  -2.584
  234   2HB   HIS  27          3HB       HIS  27  -3.541 -11.161  -3.027
  235    HD1  HIS  27           HD1      HIS  27  -4.254  -9.686   0.448
  236    HD2  HIS  27           HD2      HIS  27  -3.549 -13.352  -1.480
  237    HE1  HIS  27           HE1      HIS  27  -3.767 -11.411   2.292
  238    H    LYS  28           H        LYS  28  -3.431  -6.669  -1.321
  239    HA   LYS  28           HA       LYS  28  -6.200  -6.234  -0.885
  240   1HB   LYS  28          2HB       LYS  28  -4.307  -6.722   1.379
  241   2HB   LYS  28          3HB       LYS  28  -5.267  -5.247   1.501
  242   1HG   LYS  28          2HG       LYS  28  -7.166  -6.362   1.983
  243   2HG   LYS  28          3HG       LYS  28  -6.933  -7.482   0.643
  244   1HD   LYS  28          2HD       LYS  28  -5.337  -8.788   2.048
  245   2HD   LYS  28          3HD       LYS  28  -5.845  -7.822   3.444
  246   1HE   LYS  28          2HE       LYS  28  -8.049  -8.876   1.711
  247   2HE   LYS  28          3HE       LYS  28  -7.096 -10.129   2.506
  248   1HZ   LYS  28          1HZ       LYS  28  -8.488  -7.904   3.839
  249   2HZ   LYS  28          2HZ       LYS  28  -8.990  -9.453   3.781
  250   3HZ   LYS  28          3HZ       LYS  28  -7.607  -9.083   4.614
  251    H    VAL  29           H        VAL  29  -6.220  -3.663  -0.013
  252    HA   VAL  29           HA       VAL  29  -4.235  -2.324  -1.755
  253    HB   VAL  29           HB       VAL  29  -7.216  -2.138  -1.394
  254   1HG1  VAL  29          1HG       VAL  29  -6.820   0.018  -1.102
  255   2HG1  VAL  29          2HG       VAL  29  -5.324   0.081  -2.058
  256   3HG1  VAL  29          3HG       VAL  29  -6.915   0.018  -2.867
  257   1HG2  VAL  29          1HG       VAL  29  -7.364  -2.148  -3.731
  258   2HG2  VAL  29          2HG       VAL  29  -5.600  -1.975  -3.898
  259   3HG2  VAL  29          3HG       VAL  29  -6.299  -3.492  -3.253
  260    H    TYR  30           H        TYR  30  -3.090  -0.790  -0.663
  261    HA   TYR  30           HA       TYR  30  -3.889  -0.249   2.131
  262   1HB   TYR  30          2HB       TYR  30  -1.361  -1.071   0.714
  263   2HB   TYR  30          3HB       TYR  30  -1.272  -0.130   2.164
  264    HD1  TYR  30           HD1      TYR  30  -1.745  -1.097   4.294
  265    HD2  TYR  30           HD2      TYR  30  -2.323  -3.436   0.735
  266    HE1  TYR  30           HE1      TYR  30  -1.862  -3.154   5.642
  267    HE2  TYR  30           HE2      TYR  30  -2.337  -5.511   2.114
  268    HH   TYR  30           HH       TYR  30  -1.776  -5.507   5.619
  269    H    ASP  31           H        ASP  31  -3.125   1.788   2.922
  270    HA   ASP  31           HA       ASP  31  -2.650   3.902   0.908
  271   1HB   ASP  31          2HB       ASP  31  -5.035   3.747   1.539
  272   2HB   ASP  31          3HB       ASP  31  -4.590   3.885   3.255
  273    H    LEU  32           H        LEU  32  -0.719   4.689   1.471
  274    HA   LEU  32           HA       LEU  32  -0.066   4.737   4.378
  275   1HB   LEU  32          2HB       LEU  32   2.077   4.801   2.313
  276   2HB   LEU  32          3HB       LEU  32   2.090   4.229   3.971
  277    HG   LEU  32           HG       LEU  32   1.023   2.770   1.523
  278   1HD1  LEU  32          1HD       LEU  32   3.359   2.515   3.449
  279   2HD1  LEU  32          2HD       LEU  32   2.913   1.212   2.361
  280   3HD1  LEU  32          3HD       LEU  32   3.378   2.794   1.691
  281   1HD2  LEU  32          1HD       LEU  32   0.788   0.787   3.059
  282   2HD2  LEU  32          2HD       LEU  32   0.929   1.908   4.438
  283   3HD2  LEU  32          3HD       LEU  32  -0.440   2.009   3.325
  284    H    THR  33           H        THR  33  -1.417   6.782   2.355
  285    HA   THR  33           HA       THR  33   0.229   8.916   1.816
  286    HB   THR  33           HB       THR  33  -2.669   8.738   2.882
  287    HG1  THR  33          1HG       THR  33  -3.006   7.789   1.176
  288   1HG2  THR  33          1HG       THR  33  -3.009  10.784   1.404
  289   2HG2  THR  33          2HG       THR  33  -2.271  10.987   3.008
  290   3HG2  THR  33          3HG       THR  33  -1.235  10.985   1.573
  291    H    LYS  34           H        LYS  34  -1.671   8.376   4.845
  292    HA   LYS  34           HA       LYS  34  -0.471  10.797   5.993
  293   1HB   LYS  34          2HB       LYS  34  -2.850   9.924   6.497
  294   2HB   LYS  34          3HB       LYS  34  -2.073   8.712   7.527
  295   1HG   LYS  34          2HG       LYS  34  -0.911  11.296   8.122
  296   2HG   LYS  34          3HG       LYS  34  -2.638  11.528   8.050
  297   1HD   LYS  34          2HD       LYS  34  -1.501   9.255   9.733
  298   2HD   LYS  34          3HD       LYS  34  -1.413  10.918  10.289
  299   1HE   LYS  34          2HE       LYS  34  -3.413  10.375  11.224
  300   2HE   LYS  34          3HE       LYS  34  -3.961  11.054   9.690
  301   1HZ   LYS  34          1HZ       LYS  34  -5.085   9.014  10.139
  302   2HZ   LYS  34          2HZ       LYS  34  -4.081   8.745   8.861
  303   3HZ   LYS  34          3HZ       LYS  34  -3.676   8.195  10.362
  304    H    PHE  35           H        PHE  35   0.681   7.712   5.434
  305    HA   PHE  35           HA       PHE  35   2.215   7.530   7.936
  306   1HB   PHE  35          2HB       PHE  35   0.752   5.655   7.168
  307   2HB   PHE  35          3HB       PHE  35   1.731   5.524   5.722
  308    HD1  PHE  35          1HD       PHE  35   3.203   3.702   5.758
  309    HD2  PHE  35          2HD       PHE  35   2.488   5.906   9.396
  310    HE1  PHE  35          1HE       PHE  35   4.807   2.280   6.920
  311    HE2  PHE  35          2HE       PHE  35   4.190   4.540  10.553
  312    HZ   PHE  35           HZ       PHE  35   5.372   2.741   9.332
  313    H    LEU  36           H        LEU  36   2.486   8.401   4.668
  314    HA   LEU  36           HA       LEU  36   5.176   7.767   3.935
  315   1HB   LEU  36          2HB       LEU  36   3.249  10.210   3.595
  316   2HB   LEU  36          3HB       LEU  36   4.884  10.301   2.949
  317    HG   LEU  36           HG       LEU  36   2.603   8.494   2.070
  318   1HD1  LEU  36          1HD       LEU  36   3.359   9.814  -0.128
  319   2HD1  LEU  36          2HD       LEU  36   2.204  10.514   1.025
  320   3HD1  LEU  36          3HD       LEU  36   3.916  10.997   1.052
  321   1HD2  LEU  36          1HD       LEU  36   5.507   8.583   1.222
  322   2HD2  LEU  36          2HD       LEU  36   4.591   7.248   1.975
  323   3HD2  LEU  36          3HD       LEU  36   4.224   7.780   0.320
  324    H    GLU  37           H        GLU  37   4.338  10.902   5.411
  325    HA   GLU  37           HA       GLU  37   7.095  11.150   6.303
  326   1HB   GLU  37          2HB       GLU  37   4.581  12.822   6.624
  327   2HB   GLU  37          3HB       GLU  37   6.145  13.317   7.290
  328   1HG   GLU  37          2HG       GLU  37   5.896  12.583   4.347
  329   2HG   GLU  37          3HG       GLU  37   5.437  14.179   4.925
  330    H    GLU  38           H        GLU  38   5.243   8.914   7.404
  331    HA   GLU  38           HA       GLU  38   5.894   9.335  10.251
  332   1HB   GLU  38          2HB       GLU  38   3.246   9.016   9.040
  333   2HB   GLU  38          3HB       GLU  38   3.591   7.700  10.154
  334   1HG   GLU  38          2HG       GLU  38   4.367   9.741  11.725
  335   2HG   GLU  38          3HG       GLU  38   3.236  10.624  10.696
  336    H    HIS  39           HN       HIS  39   6.619   7.493   7.516
  337    HA   HIS  39           HA       HIS  39   6.512   4.931   8.821
  338   1HB   HIS  39          2HB       HIS  39   5.954   4.963   6.491
  339   2HB   HIS  39          3HB       HIS  39   7.386   5.881   6.094
  340    HD1  HIS  39           HND      HIS  39   8.938   4.506   4.780
  341    HD2  HIS  39           HD       HIS  39   6.879   2.208   7.601
  342    HE1  HIS  39           HE       HIS  39   9.677   2.136   4.410
  343    HA   PRO  40           HA       PRO  40  10.679   5.604  10.278
  344   1HB   PRO  40          2HB       PRO  40  11.100   3.199  11.565
  345   2HB   PRO  40          3HB       PRO  40  10.071   4.511  12.224
  346   1HG   PRO  40          2HG       PRO  40   9.239   2.025  10.763
  347   2HG   PRO  40          3HG       PRO  40   8.469   2.788  12.191
  348   1HD   PRO  40          2HD       PRO  40   7.607   3.071   9.576
  349   2HD   PRO  40          3HD       PRO  40   7.307   4.292  10.851
  350    H    GLY  41           H        GLY  41  11.506   5.782   8.221
  351   1HA   GLY  41          2HA       GLY  41  13.651   4.332   7.516
  352   2HA   GLY  41          3HA       GLY  41  12.356   3.425   6.707
  353    H    GLY  42           H        GLY  42  10.874   4.742   5.286
  354   1HA   GLY  42          2HA       GLY  42  11.905   7.276   4.289
  355   2HA   GLY  42          3HA       GLY  42  12.217   5.946   3.169
  356    H    GLU  43           H        GLU  43  10.220   8.444   3.376
  357    HA   GLU  43           HA       GLU  43   7.673   7.163   2.974
  358   1HB   GLU  43          2HB       GLU  43   6.892   9.307   2.854
  359   2HB   GLU  43          3HB       GLU  43   8.306   9.511   3.861
  360   1HG   GLU  43          2HG       GLU  43   8.531  11.318   2.491
  361   2HG   GLU  43          3HG       GLU  43   9.524  10.160   1.621
  362    H    GLU  44           H        GLU  44  10.369   8.063   1.046
  363    HA   GLU  44           HA       GLU  44   8.935   8.420  -1.440
  364   1HB   GLU  44          2HB       GLU  44  11.178   9.395  -1.136
  365   2HB   GLU  44          3HB       GLU  44  11.902   7.780  -1.141
  366   1HG   GLU  44          2HG       GLU  44  11.676   7.515  -3.409
  367   2HG   GLU  44          3HG       GLU  44  10.101   8.299  -3.462
  368    H    VAL  45           H        VAL  45  10.552   5.595   0.076
  369    HA   VAL  45           HA       VAL  45  10.116   3.882  -2.108
  370    HB   VAL  45           HB       VAL  45  11.404   3.637   0.228
  371   1HG1  VAL  45          1HG       VAL  45   9.291   3.492   1.586
  372   2HG1  VAL  45          2HG       VAL  45   8.902   1.989   0.721
  373   3HG1  VAL  45          3HG       VAL  45  10.350   2.086   1.738
  374   1HG2  VAL  45          1HG       VAL  45  11.573   1.249  -0.333
  375   2HG2  VAL  45          2HG       VAL  45  10.161   1.421  -1.417
  376   3HG2  VAL  45          3HG       VAL  45  11.664   2.311  -1.751
  377    H    LEU  46           H        LEU  46   7.764   5.063   0.580
  378    HA   LEU  46           HA       LEU  46   5.820   3.158  -0.388
  379   1HB   LEU  46          2HB       LEU  46   5.394   5.907   0.673
  380   2HB   LEU  46          3HB       LEU  46   4.279   4.556   0.830
  381    HG   LEU  46           HG       LEU  46   6.904   5.133   2.247
  382   1HD1  LEU  46          1HD       LEU  46   4.965   4.100   4.057
  383   2HD1  LEU  46          2HD       LEU  46   5.692   5.693   3.984
  384   3HD1  LEU  46          3HD       LEU  46   4.193   5.369   3.090
  385   1HD2  LEU  46          1HD       LEU  46   6.961   2.727   1.507
  386   2HD2  LEU  46          2HD       LEU  46   7.107   3.033   3.222
  387   3HD2  LEU  46          3HD       LEU  46   5.569   2.436   2.550
  388    H    ARG  47           H        ARG  47   6.988   6.217  -1.799
  389    HA   ARG  47           HA       ARG  47   4.680   6.341  -3.574
  390   1HB   ARG  47          2HB       ARG  47   6.248   8.278  -2.517
  391   2HB   ARG  47          3HB       ARG  47   7.063   8.100  -4.062
  392   1HG   ARG  47          2HG       ARG  47   4.102   8.255  -4.349
  393   2HG   ARG  47          3HG       ARG  47   4.770   9.603  -3.451
  394   1HD   ARG  47          2HD       ARG  47   4.788  10.418  -5.569
  395   2HD   ARG  47          3HD       ARG  47   6.463   9.866  -5.404
  396    HE   ARG  47           HE       ARG  47   5.222   7.699  -6.507
  397   1HH1  ARG  47          2HH       ARG  47   5.465  11.097  -7.393
  398   2HH1  ARG  47          1HH       ARG  47   5.102  10.884  -9.070
  399   1HH2  ARG  47          2HH       ARG  47   4.752   7.351  -8.757
  400   2HH2  ARG  47          1HH       ARG  47   4.696   8.679  -9.868
  401    H    GLU  48           H        GLU  48   7.914   4.983  -3.743
  402    HA   GLU  48           HA       GLU  48   8.222   5.170  -6.598
  403   1HB   GLU  48          2HB       GLU  48   9.753   4.130  -4.363
  404   2HB   GLU  48          3HB       GLU  48   9.600   2.859  -5.561
  405   1HG   GLU  48          2HG       GLU  48  10.260   4.832  -7.259
  406   2HG   GLU  48          3HG       GLU  48  10.906   5.570  -5.792
  407    H    GLN  49           H        GLN  49   6.395   3.107  -4.536
  408    HA   GLN  49           HA       GLN  49   5.761   1.209  -6.757
  409   1HB   GLN  49          2HB       GLN  49   5.629   1.013  -3.738
  410   2HB   GLN  49          3HB       GLN  49   5.137  -0.282  -4.857
  411   1HG   GLN  49          2HG       GLN  49   7.969   0.866  -4.740
  412   2HG   GLN  49          3HG       GLN  49   7.423  -0.546  -3.859
  413   1HE2  GLN  49          1HE       GLN  49   9.546  -0.838  -5.671
  414   2HE2  GLN  49          2HE       GLN  49   8.936  -1.765  -7.038
  415    H    ALA  50           H        ALA  50   4.669   3.953  -5.713
  416    HA   ALA  50           HA       ALA  50   2.150   3.689  -4.599
  417   1HB   ALA  50          1HB       ALA  50   1.635   5.860  -5.468
  418   2HB   ALA  50          2HB       ALA  50   3.357   5.832  -5.101
  419   3HB   ALA  50          3HB       ALA  50   2.830   5.676  -6.790
  420    H    GLY  51           H        GLY  51   0.099   3.199  -5.319
  421   1HA   GLY  51          2HA       GLY  51  -1.514   2.148  -6.539
  422   2HA   GLY  51          3HA       GLY  51  -0.880   3.051  -7.902
  423    H    GLY  52           H        GLY  52   1.366   0.793  -6.304
  424   1HA   GLY  52          2HA       GLY  52   1.080  -1.234  -8.427
  425   2HA   GLY  52          3HA       GLY  52   2.594  -0.339  -8.149
  426    H    ASP  53           H        ASP  53   2.809  -3.001  -7.911
  427    HA   ASP  53           HA       ASP  53   2.034  -3.942  -5.268
  428   1HB   ASP  53          2HB       ASP  53   1.957  -5.337  -7.343
  429   2HB   ASP  53          3HB       ASP  53   3.727  -5.432  -7.254
  430    H    ALA  54           H        ALA  54   3.118  -3.027  -3.660
  431    HA   ALA  54           HA       ALA  54   6.082  -2.926  -3.804
  432   1HB   ALA  54          1HB       ALA  54   5.969  -1.450  -2.012
  433   2HB   ALA  54          2HB       ALA  54   4.495  -1.062  -2.924
  434   3HB   ALA  54          3HB       ALA  54   4.382  -2.063  -1.470
  435    H    THR  55           H        THR  55   3.847  -5.311  -3.025
  436    HA   THR  55           HA       THR  55   4.731  -6.148  -0.443
  437    HB   THR  55           HB       THR  55   2.853  -7.069  -2.389
  438    HG1  THR  55          1HG       THR  55   2.798  -8.469  -0.169
  439   1HG2  THR  55          1HG       THR  55   3.019  -9.499  -2.134
  440   2HG2  THR  55          2HG       THR  55   4.411  -8.894  -3.033
  441   3HG2  THR  55          3HG       THR  55   4.587  -9.336  -1.311
  442    H    GLU  56           H        GLU  56   5.917  -6.829  -3.724
  443    HA   GLU  56           HA       GLU  56   7.778  -8.833  -3.090
  444   1HB   GLU  56          2HB       GLU  56   7.840  -6.527  -5.058
  445   2HB   GLU  56          3HB       GLU  56   9.157  -7.700  -4.985
  446   1HG   GLU  56          2HG       GLU  56   6.372  -8.825  -5.144
  447   2HG   GLU  56          3HG       GLU  56   6.962  -7.983  -6.575
  448    H    ASN  57           H        ASN  57   8.048  -5.307  -2.552
  449    HA   ASN  57           HA       ASN  57  10.861  -5.500  -1.685
  450   1HB   ASN  57          2HB       ASN  57   8.799  -3.341  -1.933
  451   2HB   ASN  57          3HB       ASN  57  10.100  -3.119  -0.740
  452   1HD2  ASN  57          1HD       ASN  57   9.921  -4.401  -4.131
  453   2HD2  ASN  57          2HD       ASN  57  11.261  -3.396  -4.669
  454    H    PHE  58           H        PHE  58   7.802  -4.653  -0.077
  455    HA   PHE  58           HA       PHE  58   8.464  -4.820   2.628
  456   1HB   PHE  58          2HB       PHE  58   6.245  -4.315   2.154
  457   2HB   PHE  58          3HB       PHE  58   6.034  -5.738   1.146
  458    HD1  PHE  58          1HD       PHE  58   6.090  -4.544   4.665
  459    HD2  PHE  58          2HD       PHE  58   5.507  -7.914   2.031
  460    HE1  PHE  58          1HE       PHE  58   5.247  -5.895   6.568
  461    HE2  PHE  58          2HE       PHE  58   4.662  -9.251   3.927
  462    HZ   PHE  58           HZ       PHE  58   4.585  -8.279   6.195
  463    H    GLU  59           H        GLU  59   8.115  -7.755   0.556
  464    HA   GLU  59           HA       GLU  59   8.710  -9.499   2.858
  465   1HB   GLU  59          2HB       GLU  59   7.664  -9.785   0.098
  466   2HB   GLU  59          3HB       GLU  59   8.770 -11.066   0.550
  467   1HG   GLU  59          2HG       GLU  59   6.506 -10.243   2.401
  468   2HG   GLU  59          3HG       GLU  59   6.226 -11.338   1.048
  469    H    ASP  60           H        ASP  60  10.379  -8.316  -0.118
  470    HA   ASP  60           HA       ASP  60  12.665  -9.960   0.015
  471   1HB   ASP  60          2HB       ASP  60  11.967  -7.382  -1.253
  472   2HB   ASP  60          3HB       ASP  60  13.607  -7.385  -0.695
  473    H    VAL  61           H        VAL  61  11.719  -7.123   1.846
  474    HA   VAL  61           HA       VAL  61  14.237  -7.216   3.381
  475    HB   VAL  61           HB       VAL  61  13.150  -5.068   2.380
  476   1HG1  VAL  61          1HG       VAL  61  10.865  -5.556   3.226
  477   2HG1  VAL  61          2HG       VAL  61  11.439  -5.252   4.884
  478   3HG1  VAL  61          3HG       VAL  61  11.458  -3.956   3.669
  479   1HG2  VAL  61          1HG       VAL  61  14.241  -5.316   5.171
  480   2HG2  VAL  61          2HG       VAL  61  14.953  -4.585   3.713
  481   3HG2  VAL  61          3HG       VAL  61  13.645  -3.752   4.574
  482    H    GLY  62           H        GLY  62  10.758  -7.860   3.925
  483   1HA   GLY  62          2HA       GLY  62  10.474  -9.962   5.100
  484   2HA   GLY  62          3HA       GLY  62  11.767  -9.466   6.216
  485    H    HIS  63           HN       HIS  63  11.268  -6.833   6.587
  486    HA   HIS  63           HA       HIS  63  10.379  -5.553   8.085
  487   1HB   HIS  63          2HB       HIS  63   7.897  -6.503   6.674
  488   2HB   HIS  63          3HB       HIS  63   7.678  -5.580   8.127
  489    HD1  HIS  63           HND      HIS  63   8.879  -5.180   4.600
  490    HD2  HIS  63           HD       HIS  63   8.242  -2.960   8.101
  491    HE1  HIS  63           HE       HIS  63   8.852  -2.761   3.885
  492    H    SER  64           H        SER  64   8.955  -5.469  10.172
  493    HA   SER  64           HA       SER  64   9.215  -8.114  11.539
  494   1HB   SER  64          2HB       SER  64   8.956  -5.329  12.729
  495   2HB   SER  64          3HB       SER  64   9.319  -6.847  13.588
  496    HG   SER  64           HG       SER  64  10.875  -5.550  11.600
  497    H    THR  65           H        THR  65   7.415  -8.422  13.334
  498    HA   THR  65           HA       THR  65   4.937  -8.346  11.922
  499    HB   THR  65           HB       THR  65   5.780  -9.117  14.730
  500    HG1  THR  65          1HG       THR  65   6.435 -10.358  12.856
  501   1HG2  THR  65          1HG       THR  65   3.455  -8.530  14.912
  502   2HG2  THR  65          2HG       THR  65   3.071  -9.342  13.373
  503   3HG2  THR  65          3HG       THR  65   3.561 -10.299  14.797
  504    H    ASP  66           H        ASP  66   6.498  -6.160  14.263
  505    HA   ASP  66           HA       ASP  66   4.198  -4.712  15.061
  506   1HB   ASP  66          2HB       ASP  66   6.638  -4.605  15.899
  507   2HB   ASP  66          3HB       ASP  66   6.956  -3.535  14.530
  508    H    ALA  67           H        ALA  67   6.204  -4.565  12.114
  509    HA   ALA  67           HA       ALA  67   4.742  -2.282  11.023
  510   1HB   ALA  67          1HB       ALA  67   6.620  -4.322   9.777
  511   2HB   ALA  67          2HB       ALA  67   5.832  -2.990   8.883
  512   3HB   ALA  67          3HB       ALA  67   6.969  -2.646  10.202
  513    H    ARG  68           H        ARG  68   4.599  -5.877  10.737
  514    HA   ARG  68           HA       ARG  68   2.726  -6.085   8.697
  515   1HB   ARG  68          2HB       ARG  68   3.107  -7.885  11.021
  516   2HB   ARG  68          3HB       ARG  68   1.825  -8.113   9.827
  517   1HG   ARG  68          2HG       ARG  68   3.466  -7.863   7.977
  518   2HG   ARG  68          3HG       ARG  68   4.775  -7.771   9.165
  519   1HD   ARG  68          2HD       ARG  68   4.875 -10.000   8.743
  520   2HD   ARG  68          3HD       ARG  68   3.603 -10.064   9.986
  521    HE   ARG  68           HE       ARG  68   2.404  -9.662   7.434
  522   1HH1  ARG  68          2HH       ARG  68   4.145 -12.102   9.252
  523   2HH1  ARG  68          1HH       ARG  68   3.593 -13.459   8.335
  524   1HH2  ARG  68          2HH       ARG  68   1.651 -11.449   6.116
  525   2HH2  ARG  68          1HH       ARG  68   2.108 -13.064   6.515
  526    H    GLU  69           H        GLU  69   2.388  -4.961  12.132
  527    HA   GLU  69           HA       GLU  69  -0.499  -5.243  12.392
  528   1HB   GLU  69          2HB       GLU  69   1.723  -4.094  14.101
  529   2HB   GLU  69          3HB       GLU  69   0.069  -3.639  14.431
  530   1HG   GLU  69          2HG       GLU  69   0.146  -6.487  14.056
  531   2HG   GLU  69          3HG       GLU  69   1.443  -6.049  15.170
  532    H    LEU  70           H        LEU  70   1.665  -2.254  12.005
  533    HA   LEU  70           HA       LEU  70  -0.526  -0.504  11.947
  534   1HB   LEU  70          2HB       LEU  70   2.228  -0.505  10.739
  535   2HB   LEU  70          3HB       LEU  70   1.173   0.883  10.669
  536    HG   LEU  70           HG       LEU  70   1.474  -0.195  13.368
  537   1HD1  LEU  70          1HD       LEU  70   3.750  -0.746  12.454
  538   2HD1  LEU  70          2HD       LEU  70   3.957   0.956  11.996
  539   3HD1  LEU  70          3HD       LEU  70   3.818   0.485  13.709
  540   1HD2  LEU  70          1HD       LEU  70   0.533   1.985  13.023
  541   2HD2  LEU  70          2HD       LEU  70   2.097   2.186  13.845
  542   3HD2  LEU  70          3HD       LEU  70   1.968   2.514  12.103
  543    H    SER  71           H        SER  71   0.747  -2.697   9.419
  544    HA   SER  71           HA       SER  71  -0.748  -1.825   7.129
  545   1HB   SER  71          2HB       SER  71  -0.844  -4.679   7.552
  546   2HB   SER  71          3HB       SER  71  -0.002  -3.754   6.293
  547    HG   SER  71           HG       SER  71   1.798  -3.686   7.521
  548    H    LYS  72           H        LYS  72  -1.941  -3.471  10.027
  549    HA   LYS  72           HA       LYS  72  -4.479  -3.995   8.896
  550   1HB   LYS  72          2HB       LYS  72  -3.306  -4.785  11.118
  551   2HB   LYS  72          3HB       LYS  72  -4.069  -3.367  11.836
  552   1HG   LYS  72          2HG       LYS  72  -5.996  -4.536  12.034
  553   2HG   LYS  72          3HG       LYS  72  -6.088  -4.703  10.272
  554   1HD   LYS  72          2HD       LYS  72  -4.708  -6.713  10.329
  555   2HD   LYS  72          3HD       LYS  72  -4.457  -6.535  12.084
  556   1HE   LYS  72          2HE       LYS  72  -6.780  -6.879  12.557
  557   2HE   LYS  72          3HE       LYS  72  -7.219  -6.793  10.841
  558   1HZ   LYS  72          1HZ       LYS  72  -5.477  -8.879  11.989
  559   2HZ   LYS  72          2HZ       LYS  72  -7.092  -9.069  11.733
  560   3HZ   LYS  72          3HZ       LYS  72  -6.080  -8.829  10.458
  561    H    THR  73           H        THR  73  -3.180  -0.953  10.221
  562    HA   THR  73           HA       THR  73  -5.890   0.229  10.046
  563    HB   THR  73           HB       THR  73  -4.255   0.517  12.042
  564    HG1  THR  73          1HG       THR  73  -5.713   2.590  10.793
  565   1HG2  THR  73          1HG       THR  73  -2.886   2.459  12.034
  566   2HG2  THR  73          2HG       THR  73  -2.385   1.529  10.613
  567   3HG2  THR  73          3HG       THR  73  -3.435   2.950  10.422
  568    H    PHE  74           H        PHE  74  -3.342  -0.292   7.957
  569    HA   PHE  74           HA       PHE  74  -3.723   2.226   6.386
  570   1HB   PHE  74          2HB       PHE  74  -1.813  -0.103   6.188
  571   2HB   PHE  74          3HB       PHE  74  -1.793   1.327   5.150
  572    HD1  PHE  74          1HD       PHE  74   0.559   0.488   6.206
  573    HD2  PHE  74          2HD       PHE  74  -2.445   2.843   8.195
  574    HE1  PHE  74          1HE       PHE  74   2.286   1.532   7.581
  575    HE2  PHE  74          2HE       PHE  74  -0.720   3.756   9.711
  576    HZ   PHE  74           HZ       PHE  74   1.636   3.045   9.433
  577    H    ILE  75           H        ILE  75  -4.656  -1.205   6.413
  578    HA   ILE  75           HA       ILE  75  -5.127  -1.357   3.599
  579    HB   ILE  75           HB       ILE  75  -5.381  -3.035   5.864
  580   1HG1  ILE  75          2HG       ILE  75  -6.140  -3.629   2.994
  581   2HG1  ILE  75          3HG       ILE  75  -4.484  -3.384   3.533
  582   1HG2  ILE  75          1HG       ILE  75  -8.057  -2.898   4.408
  583   2HG2  ILE  75          2HG       ILE  75  -7.551  -4.155   5.552
  584   3HG2  ILE  75          3HG       ILE  75  -7.765  -2.506   6.124
  585   1HD1  ILE  75          1HD       ILE  75  -4.920  -5.211   5.309
  586   2HD1  ILE  75          2HD       ILE  75  -6.346  -5.630   4.327
  587   3HD1  ILE  75          3HD       ILE  75  -4.712  -5.723   3.638
  588    H    ILE  76           H        ILE  76  -6.452  -0.185   2.429
  589    HA   ILE  76           HA       ILE  76  -8.807   1.073   3.786
  590    HB   ILE  76           HB       ILE  76  -8.885   2.651   1.951
  591   1HG1  ILE  76          2HG       ILE  76  -6.478   2.615   0.565
  592   2HG1  ILE  76          3HG       ILE  76  -6.728   0.929   0.775
  593   1HG2  ILE  76          1HG       ILE  76  -7.695   3.108   4.025
  594   2HG2  ILE  76          2HG       ILE  76  -6.203   2.479   3.316
  595   3HG2  ILE  76          3HG       ILE  76  -6.974   3.956   2.653
  596   1HD1  ILE  76          1HD       ILE  76  -7.712   2.018  -1.317
  597   2HD1  ILE  76          2HD       ILE  76  -8.928   1.154  -0.342
  598   3HD1  ILE  76          3HD       ILE  76  -8.782   2.933  -0.261
  599    H    GLY  77           H        GLY  77  -7.915  -1.497   1.634
  600   1HA   GLY  77          2HA       GLY  77 -10.632  -2.250   1.244
  601   2HA   GLY  77          3HA       GLY  77 -10.005  -1.441  -0.212
  602    H    GLU  78           H        GLU  78 -10.234  -3.615  -1.275
  603    HA   GLU  78           HA       GLU  78  -7.657  -4.841  -1.108
  604   1HB   GLU  78          2HB       GLU  78  -8.458  -7.154  -1.033
  605   2HB   GLU  78          3HB       GLU  78  -8.833  -6.227   0.428
  606   1HG   GLU  78          2HG       GLU  78 -11.196  -5.917  -0.633
  607   2HG   GLU  78          3HG       GLU  78 -10.723  -7.270  -1.667
  608    H    LEU  79           H        LEU  79  -7.368  -6.350  -3.166
  609    HA   LEU  79           HA       LEU  79  -8.238  -4.814  -5.397
  610   1HB   LEU  79          2HB       LEU  79  -7.094  -7.635  -5.041
  611   2HB   LEU  79          3HB       LEU  79  -7.638  -7.048  -6.596
  612    HG   LEU  79           HG       LEU  79  -5.441  -6.612  -6.758
  613   1HD1  LEU  79          1HD       LEU  79  -6.221  -4.005  -5.476
  614   2HD1  LEU  79          2HD       LEU  79  -5.083  -4.297  -6.804
  615   3HD1  LEU  79          3HD       LEU  79  -6.829  -4.529  -7.058
  616   1HD2  LEU  79          1HD       LEU  79  -5.224  -5.548  -3.921
  617   2HD2  LEU  79          2HD       LEU  79  -4.830  -7.209  -4.429
  618   3HD2  LEU  79          3HD       LEU  79  -3.929  -5.851  -5.095
  619    H    HIS  80           H        HIS  80  -9.719  -5.314  -6.966
  620    HA   HIS  80           HA       HIS  80 -12.243  -5.923  -6.138
  621   1HB   HIS  80          2HB       HIS  80 -10.917  -5.626  -8.706
  622   2HB   HIS  80          3HB       HIS  80 -12.064  -6.957  -8.809
  623    HD1  HIS  80           HD1      HIS  80 -14.140  -5.959  -9.941
  624    HD2  HIS  80           HD2      HIS  80 -12.468  -3.577  -6.908
  625    HE1  HIS  80           HE1      HIS  80 -15.671  -3.901  -9.676
  626    HA   PRO  81           HA       PRO  81 -12.355 -10.207  -5.448
  627   1HB   PRO  81          2HB       PRO  81 -15.058 -10.794  -5.725
  628   2HB   PRO  81          3HB       PRO  81 -14.343  -9.934  -4.328
  629   1HG   PRO  81          2HG       PRO  81 -15.824  -8.775  -6.679
  630   2HG   PRO  81          3HG       PRO  81 -15.849  -8.264  -4.962
  631   1HD   PRO  81          2HD       PRO  81 -14.355  -7.052  -6.990
  632   2HD   PRO  81          3HD       PRO  81 -13.981  -6.938  -5.246
  633    H    ASP  82           H        ASP  82 -13.525  -8.887  -8.455
  634    HA   ASP  82           HA       ASP  82 -13.266 -11.444  -9.885
  635   1HB   ASP  82          2HB       ASP  82 -13.620  -9.826 -11.880
  636   2HB   ASP  82          3HB       ASP  82 -14.974 -10.211 -10.807
  637    H    ASP  83           H        ASP  83 -11.140  -8.915  -8.964
  638    HA   ASP  83           HA       ASP  83  -9.346  -8.918 -11.230
  639   1HB   ASP  83          2HB       ASP  83  -9.186  -7.094  -9.692
  640   2HB   ASP  83          3HB       ASP  83  -8.930  -8.184  -8.325
  641    H    ARG  84           H        ARG  84 -10.002 -11.224  -8.823
  642    HA   ARG  84           HA       ARG  84  -7.492 -12.461  -8.491
  643   1HB   ARG  84          2HB       ARG  84  -9.684 -12.886  -7.256
  644   2HB   ARG  84          3HB       ARG  84 -10.212 -13.826  -8.654
  645   1HG   ARG  84          2HG       ARG  84  -7.896 -15.137  -8.252
  646   2HG   ARG  84          3HG       ARG  84  -8.019 -14.418  -6.648
  647   1HD   ARG  84          2HD       ARG  84  -9.162 -16.385  -6.279
  648   2HD   ARG  84          3HD       ARG  84 -10.514 -15.359  -6.797
  649    HE   ARG  84           HE       ARG  84  -9.079 -16.807  -8.913
  650   1HH1  ARG  84          2HH       ARG  84 -11.812 -16.902  -6.688
  651   2HH1  ARG  84          1HH       ARG  84 -12.644 -18.186  -7.490
  652   1HH2  ARG  84          2HH       ARG  84 -10.152 -18.545 -10.011
  653   2HH2  ARG  84          1HH       ARG  84 -11.666 -19.138  -9.436
  654    H    SER  85           H        SER  85  -9.856 -12.779 -11.087
  655    HA   SER  85           HA       SER  85  -8.140 -13.576 -13.119
  656   1HB   SER  85          2HB       SER  85  -8.561 -15.789 -11.266
  657   2HB   SER  85          3HB       SER  85  -9.177 -16.231 -12.838
  658    HG   SER  85           HG       SER  85  -7.238 -16.191 -13.654
  659    H    LYS  86           H        LYS  86 -10.723 -12.124 -12.730
  660    HA   LYS  86           HA       LYS  86 -12.323 -13.517 -14.799
  661   1HB   LYS  86          2HB       LYS  86 -12.938 -13.445 -11.942
  662   2HB   LYS  86          3HB       LYS  86 -14.216 -12.666 -12.859
  663   1HG   LYS  86          2HG       LYS  86 -14.141 -14.683 -14.467
  664   2HG   LYS  86          3HG       LYS  86 -13.108 -15.476 -13.274
  665   1HD   LYS  86          2HD       LYS  86 -15.009 -16.196 -12.266
  666   2HD   LYS  86          3HD       LYS  86 -15.307 -14.514 -11.785
  667   1HE   LYS  86          2HE       LYS  86 -16.258 -14.291 -14.250
  668   2HE   LYS  86          3HE       LYS  86 -16.365 -16.055 -14.181
  669   1HZ   LYS  86          1HZ       LYS  86 -17.617 -14.207 -12.248
  670   2HZ   LYS  86          2HZ       LYS  86 -18.403 -14.924 -13.499
  671   3HZ   LYS  86          3HZ       LYS  86 -17.800 -15.846 -12.275
  672    H    LEU  87           H        LEU  87 -10.741 -11.094 -14.858
  673    HA   LEU  87           HA       LEU  87 -12.506  -8.798 -14.648
  674   1HB   LEU  87          2HB       LEU  87  -9.719  -9.264 -15.760
  675   2HB   LEU  87          3HB       LEU  87 -10.445  -7.666 -15.612
  676    HG   LEU  87           HG       LEU  87 -10.366  -9.439 -13.160
  677   1HD1  LEU  87          1HD       LEU  87  -8.011  -8.174 -12.850
  678   2HD1  LEU  87          2HD       LEU  87  -8.153  -9.755 -13.615
  679   3HD1  LEU  87          3HD       LEU  87  -8.001  -8.290 -14.613
  680   1HD2  LEU  87          1HD       LEU  87 -11.490  -7.443 -12.725
  681   2HD2  LEU  87          2HD       LEU  87  -9.856  -7.040 -12.196
  682   3HD2  LEU  87          3HD       LEU  87 -10.432  -6.464 -13.762
  683    H    SER  88           H        SER  88 -14.107 -10.048 -16.296
  684    HA   SER  88           HA       SER  88 -13.741  -8.677 -18.862
  685   1HB   SER  88          2HB       SER  88 -12.351 -10.750 -19.075
  686   2HB   SER  88          3HB       SER  88 -13.811 -11.723 -18.812
  687    HG   SER  88           HG       SER  88 -14.699 -10.819 -20.659
  688    H    LYS  89           H        LYS  89 -15.701  -7.792 -17.634
  689    HA   LYS  89           HA       LYS  89 -18.003  -9.459 -17.302
  690   1HB   LYS  89          2HB       LYS  89 -19.253  -7.416 -16.926
  691   2HB   LYS  89          3HB       LYS  89 -17.716  -7.406 -16.063
  692   1HG   LYS  89          2HG       LYS  89 -16.780  -5.985 -17.984
  693   2HG   LYS  89          3HG       LYS  89 -18.446  -5.811 -18.561
  694   1HD   LYS  89          2HD       LYS  89 -17.774  -5.188 -15.675
  695   2HD   LYS  89          3HD       LYS  89 -17.375  -4.015 -16.924
  696   1HE   LYS  89          2HE       LYS  89 -20.150  -5.190 -16.931
  697   2HE   LYS  89          3HE       LYS  89 -19.749  -4.020 -15.663
  698   1HZ   LYS  89          1HZ       LYS  89 -19.383  -3.501 -18.541
  699   2HZ   LYS  89          2HZ       LYS  89 -20.681  -2.998 -17.662
  700   3HZ   LYS  89          3HZ       LYS  89 -19.180  -2.425 -17.309
  701    HA   PRO  90           HA       PRO  90 -19.012  -9.521 -21.680
  702   1HB   PRO  90          2HB       PRO  90 -21.174 -11.234 -21.565
  703   2HB   PRO  90          3HB       PRO  90 -19.474 -11.766 -21.453
  704   1HG   PRO  90          2HG       PRO  90 -21.480 -11.393 -19.239
  705   2HG   PRO  90          3HG       PRO  90 -20.218 -12.652 -19.426
  706   1HD   PRO  90          2HD       PRO  90 -20.001 -10.347 -17.844
  707   2HD   PRO  90          3HD       PRO  90 -18.617 -11.309 -18.449
  708    H    MET  91           H        MET  91 -21.415  -9.423 -22.785
  709    HA   MET  91           HA       MET  91 -22.377  -6.786 -22.203
  710   1HB   MET  91          2HB       MET  91 -22.451  -8.512 -24.357
  711   2HB   MET  91          3HB       MET  91 -24.106  -8.665 -23.781
  712   1HG   MET  91          2HG       MET  91 -22.918  -5.904 -24.073
  713   2HG   MET  91          3HG       MET  91 -23.275  -6.809 -25.538
  714   1HE   MET  91          1HE       MET  91 -24.765  -4.706 -26.253
  715   2HE   MET  91          2HE       MET  91 -26.132  -4.113 -25.279
  716   3HE   MET  91          3HE       MET  91 -24.468  -3.933 -24.676
  717    H    GLU  92           H        GLU  92 -24.515  -6.213 -21.339
  718    HA   GLU  92           HA       GLU  92 -25.795  -8.269 -19.660
  719   1HB   GLU  92          2HB       GLU  92 -24.043  -6.423 -18.595
  720   2HB   GLU  92          3HB       GLU  92 -25.527  -5.513 -18.483
  721   1HG   GLU  92          2HG       GLU  92 -25.352  -8.384 -17.464
  722   2HG   GLU  92          3HG       GLU  92 -24.643  -7.071 -16.533
  723    H    THR  93           H        THR  93 -27.993  -7.145 -18.911
  724    HA   THR  93           HA       THR  93 -30.032  -6.718 -19.683
  725    HB   THR  93           HB       THR  93 -29.082  -4.622 -18.839
  726    HG1  THR  93          1HG       THR  93 -30.811  -3.446 -19.535
  727   1HG2  THR  93          1HG       THR  93 -27.489  -3.812 -20.386
  728   2HG2  THR  93          2HG       THR  93 -28.595  -3.953 -21.765
  729   3HG2  THR  93          3HG       THR  93 -28.864  -2.714 -20.532
  730    H    LEU  94           H        LEU  94 -30.642  -4.844 -21.992
  731    HA   LEU  94           HA       LEU  94 -30.146  -6.586 -24.313
  732   1HB   LEU  94          2HB       LEU  94 -32.381  -7.164 -23.677
  733   2HB   LEU  94          3HB       LEU  94 -32.788  -5.502 -23.251
  734    HG   LEU  94           HG       LEU  94 -31.993  -5.987 -26.115
  735   1HD1  LEU  94          1HD       LEU  94 -34.297  -6.728 -26.661
  736   2HD1  LEU  94          2HD       LEU  94 -33.381  -7.919 -25.727
  737   3HD1  LEU  94          3HD       LEU  94 -34.624  -6.928 -24.922
  738   1HD2  LEU  94          1HD       LEU  94 -34.148  -4.335 -24.693
  739   2HD2  LEU  94          2HD       LEU  94 -32.663  -3.720 -25.440
  740   3HD2  LEU  94          3HD       LEU  94 -33.937  -4.399 -26.456
  741    HHA  HEM  95          MHG       HEM  95  12.044  -0.413   8.693
  742    HHB  HEM  95          MHD       HEM  95   5.721  -0.228   9.792
  743    HHC  HEM  95          MHA       HEM  95   4.610  -0.651   3.518
  744    HHD  HEM  95          MHB       HEM  95  10.963  -0.232   2.349
  745   1HMA  HEM  95          1HM       HEM  95   8.307  -0.960  12.467
  746   2HMA  HEM  95          2HM       HEM  95   7.519   0.573  12.056
  747   3HMA  HEM  95          3HM       HEM  95   6.750  -0.964  11.671
  748   1HAA  HEM  95          1HP       HEM  95  10.409  -0.836  12.131
  749   2HAA  HEM  95          2HP       HEM  95  11.558  -0.032  11.088
  750   1HBA  HEM  95          3HP       HEM  95  11.804  -2.599  11.908
  751   2HBA  HEM  95          4HP       HEM  95  12.508  -1.991  10.416
  752   1HMB  HEM  95          1HM       HEM  95   3.651  -1.247   9.275
  753   2HMB  HEM  95          2HM       HEM  95   3.295   0.459   9.086
  754   3HMB  HEM  95          3HM       HEM  95   2.312  -0.772   8.203
  755    HAB  HEM  95          AHT       HEM  95   2.456   0.057   4.745
  756   1HBB  HEM  95          CHV       HEM  95   2.514  -2.676   6.072
  757   2HBB  HEM  95          THV       HEM  95   1.126  -1.951   5.054
  758   1HMC  HEM  95          1HM       HEM  95   4.834  -0.846   1.465
  759   2HMC  HEM  95          2HM       HEM  95   5.719   0.274   0.435
  760   3HMC  HEM  95          3HM       HEM  95   5.946  -1.493   0.329
  761    HAC  HEM  95          AHT       HEM  95   9.941  -0.222   0.350
  762   1HBC  HEM  95          THV       HEM  95   8.760  -0.806  -1.596
  763   2HBC  HEM  95          CHV       HEM  95   7.754  -1.985  -0.583
  764   1HMD  HEM  95          1HM       HEM  95  13.570  -0.851   3.075
  765   2HMD  HEM  95          2HM       HEM  95  13.031   0.826   2.841
  766   3HMD  HEM  95          3HM       HEM  95  14.348   0.475   3.962
  767   1HAD  HEM  95          1HP       HEM  95  13.737   0.595   7.682
  768   2HAD  HEM  95          2HP       HEM  95  14.557   0.798   6.164
  769   1HBD  HEM  95          3HP       HEM  95  14.009  -2.039   7.020
  770   2HBD  HEM  95          4HP       HEM  95  15.168  -1.129   7.990
  Start of MODEL   18
    1   1H    ASP   1           H1       ASP   1 -16.484   3.825   5.782
    2   2H    ASP   1           H2       ASP   1 -14.998   4.445   6.089
    3   3H    ASP   1           H3       ASP   1 -15.642   4.637   4.579
    4    HA   ASP   1           HA       ASP   1 -15.230   2.591   3.907
    5   1HB   ASP   1          2HB       ASP   1 -13.145   3.448   5.887
    6   2HB   ASP   1          3HB       ASP   1 -13.001   1.854   5.102
    7    H    LYS   2           H        LYS   2 -15.030   0.250   4.354
    8    HA   LYS   2           HA       LYS   2 -16.138  -0.449   7.030
    9   1HB   LYS   2          2HB       LYS   2 -17.166  -1.395   4.352
   10   2HB   LYS   2          3HB       LYS   2 -16.987  -2.585   5.635
   11   1HG   LYS   2          2HG       LYS   2 -19.080  -1.939   6.219
   12   2HG   LYS   2          3HG       LYS   2 -18.210  -0.707   7.113
   13   1HD   LYS   2          2HD       LYS   2 -18.447   0.529   4.678
   14   2HD   LYS   2          3HD       LYS   2 -19.907  -0.465   4.663
   15   1HE   LYS   2          2HE       LYS   2 -19.235   1.122   7.151
   16   2HE   LYS   2          3HE       LYS   2 -19.788   2.011   5.731
   17   1HZ   LYS   2          1HZ       LYS   2 -21.784   0.678   5.712
   18   2HZ   LYS   2          2HZ       LYS   2 -21.293  -0.158   7.046
   19   3HZ   LYS   2          3HZ       LYS   2 -21.615   1.451   7.149
   20    H    ASP   3           H        ASP   3 -14.214  -1.601   4.258
   21    HA   ASP   3           HA       ASP   3 -11.949  -2.330   5.494
   22   1HB   ASP   3          2HB       ASP   3 -14.057  -4.376   6.124
   23   2HB   ASP   3          3HB       ASP   3 -12.560  -5.017   5.477
   24    H    VAL   4           H        VAL   4 -14.438  -3.292   3.340
   25    HA   VAL   4           HA       VAL   4 -12.438  -3.954   1.260
   26    HB   VAL   4           HB       VAL   4 -15.077  -5.317   1.068
   27   1HG1  VAL   4          1HG       VAL   4 -12.178  -5.839   0.448
   28   2HG1  VAL   4          2HG       VAL   4 -13.270  -7.208   0.631
   29   3HG1  VAL   4          3HG       VAL   4 -13.617  -5.970  -0.585
   30   1HG2  VAL   4          1HG       VAL   4 -14.719  -5.598   3.479
   31   2HG2  VAL   4          2HG       VAL   4 -14.415  -7.108   2.629
   32   3HG2  VAL   4          3HG       VAL   4 -13.039  -6.127   3.179
   33    H    LYS   5           H        LYS   5 -12.498  -1.755   0.567
   34    HA   LYS   5           HA       LYS   5 -15.055  -0.773  -0.399
   35   1HB   LYS   5          2HB       LYS   5 -13.020   0.536   0.583
   36   2HB   LYS   5          3HB       LYS   5 -12.369   0.367  -1.043
   37   1HG   LYS   5          2HG       LYS   5 -13.374   2.491  -0.992
   38   2HG   LYS   5          3HG       LYS   5 -14.586   1.536  -1.826
   39   1HD   LYS   5          2HD       LYS   5 -14.770   1.700   1.180
   40   2HD   LYS   5          3HD       LYS   5 -15.048   3.186   0.289
   41   1HE   LYS   5          2HE       LYS   5 -16.473   1.050  -1.047
   42   2HE   LYS   5          3HE       LYS   5 -16.842   0.970   0.682
   43   1HZ   LYS   5          1HZ       LYS   5 -18.343   2.449  -0.490
   44   2HZ   LYS   5          2HZ       LYS   5 -17.437   3.310   0.588
   45   3HZ   LYS   5          3HZ       LYS   5 -17.086   3.372  -1.015
   46    H    TYR   6           H        TYR   6 -13.099  -3.142  -1.625
   47    HA   TYR   6           HA       TYR   6 -12.401  -3.894  -3.595
   48   1HB   TYR   6          2HB       TYR   6 -15.323  -3.211  -3.948
   49   2HB   TYR   6          3HB       TYR   6 -14.407  -4.114  -5.138
   50    HD1  TYR   6           HD1      TYR   6 -12.979  -6.177  -4.184
   51    HD2  TYR   6           HD2      TYR   6 -16.482  -4.478  -2.311
   52    HE1  TYR   6           HE1      TYR   6 -13.439  -8.342  -3.112
   53    HE2  TYR   6           HE2      TYR   6 -16.971  -6.675  -1.255
   54    HH   TYR   6           HH       TYR   6 -14.991  -9.579  -1.888
   55    H    TYR   7           H        TYR   7 -10.724  -2.342  -4.429
   56    HA   TYR   7           HA       TYR   7 -11.808  -0.222  -6.146
   57   1HB   TYR   7          2HB       TYR   7  -9.258  -0.747  -4.588
   58   2HB   TYR   7          3HB       TYR   7  -9.270   0.340  -5.895
   59    HD1  TYR   7           HD1      TYR   7 -11.197   2.151  -5.965
   60    HD2  TYR   7           HD2      TYR   7  -9.879   0.107  -2.416
   61    HE1  TYR   7           HE1      TYR   7 -12.026   4.041  -4.587
   62    HE2  TYR   7           HE2      TYR   7 -10.749   1.975  -1.028
   63    HH   TYR   7           HH       TYR   7 -11.286   4.286  -1.141
   64    H    THR   8           H        THR   8 -10.854   0.035  -8.249
   65    HA   THR   8           HA       THR   8 -10.123  -2.551  -9.499
   66    HB   THR   8           HB       THR   8 -10.463  -1.182 -11.605
   67    HG1  THR   8          1HG       THR   8 -11.167   0.915 -11.386
   68   1HG2  THR   8          1HG       THR   8 -12.901  -1.146 -11.457
   69   2HG2  THR   8          2HG       THR   8 -12.285  -2.538 -10.553
   70   3HG2  THR   8          3HG       THR   8 -12.828  -1.077  -9.686
   71    H    LEU   9           H        LEU   9  -8.146  -2.713 -10.642
   72    HA   LEU   9           HA       LEU   9  -5.874  -1.608  -9.743
   73   1HB   LEU   9          2HB       LEU   9  -6.230  -2.167 -12.696
   74   2HB   LEU   9          3HB       LEU   9  -4.741  -2.111 -11.773
   75    HG   LEU   9           HG       LEU   9  -5.110  -4.373 -12.059
   76   1HD1  LEU   9          1HD       LEU   9  -5.617  -5.289  -9.816
   77   2HD1  LEU   9          2HD       LEU   9  -4.592  -3.839  -9.696
   78   3HD1  LEU   9          3HD       LEU   9  -6.330  -3.739  -9.349
   79   1HD2  LEU   9          1HD       LEU   9  -7.083  -5.488 -12.199
   80   2HD2  LEU   9          2HD       LEU   9  -7.878  -4.542 -10.948
   81   3HD2  LEU   9          3HD       LEU   9  -7.701  -3.877 -12.598
   82    H    GLU  10           H        GLU  10  -8.060  -0.043 -12.041
   83    HA   GLU  10           HA       GLU  10  -6.549   2.246 -12.739
   84   1HB   GLU  10          2HB       GLU  10  -9.397   1.446 -12.681
   85   2HB   GLU  10          3HB       GLU  10  -9.103   3.190 -12.564
   86   1HG   GLU  10          2HG       GLU  10  -8.033   3.338 -14.612
   87   2HG   GLU  10          3HG       GLU  10  -7.507   1.653 -14.601
   88    H    GLU  11           H        GLU  11  -9.061   2.219 -10.029
   89    HA   GLU  11           HA       GLU  11  -8.356   4.718  -9.170
   90   1HB   GLU  11          2HB       GLU  11  -9.145   2.435  -7.324
   91   2HB   GLU  11          3HB       GLU  11  -9.406   4.164  -7.113
   92   1HG   GLU  11          2HG       GLU  11 -10.821   2.242  -8.894
   93   2HG   GLU  11          3HG       GLU  11 -11.507   3.412  -7.788
   94    H    ILE  12           H        ILE  12  -6.912   1.627  -8.185
   95    HA   ILE  12           HA       ILE  12  -5.188   2.681  -6.183
   96    HB   ILE  12           HB       ILE  12  -4.864   0.283  -8.006
   97   1HG1  ILE  12          2HG       ILE  12  -5.688  -0.217  -5.226
   98   2HG1  ILE  12          3HG       ILE  12  -6.794   0.909  -5.967
   99   1HG2  ILE  12          1HG       ILE  12  -3.552   0.862  -5.340
  100   2HG2  ILE  12          2HG       ILE  12  -3.544  -0.685  -6.257
  101   3HG2  ILE  12          3HG       ILE  12  -2.769   0.700  -6.956
  102   1HD1  ILE  12          1HD       ILE  12  -6.231  -1.919  -6.648
  103   2HD1  ILE  12          2HD       ILE  12  -7.781  -1.058  -6.684
  104   3HD1  ILE  12          3HD       ILE  12  -6.596  -0.877  -7.979
  105    H    LYS  13           H        LYS  13  -4.670   2.144  -9.678
  106    HA   LYS  13           HA       LYS  13  -1.975   3.297  -9.604
  107   1HB   LYS  13          2HB       LYS  13  -1.611   2.395 -11.645
  108   2HB   LYS  13          3HB       LYS  13  -2.710   1.242 -10.911
  109   1HG   LYS  13          2HG       LYS  13  -4.516   2.798 -12.202
  110   2HG   LYS  13          3HG       LYS  13  -3.119   3.146 -13.193
  111   1HD   LYS  13          2HD       LYS  13  -3.182   0.283 -12.889
  112   2HD   LYS  13          3HD       LYS  13  -4.848   0.815 -13.152
  113   1HE   LYS  13          2HE       LYS  13  -3.768   2.332 -14.997
  114   2HE   LYS  13          3HE       LYS  13  -2.478   1.120 -14.951
  115   1HZ   LYS  13          1HZ       LYS  13  -5.206   0.114 -15.095
  116   2HZ   LYS  13          2HZ       LYS  13  -4.683   0.899 -16.431
  117   3HZ   LYS  13          3HZ       LYS  13  -3.862  -0.419 -15.882
  118    H    LYS  14           H        LYS  14  -4.950   4.649  -9.416
  119    HA   LYS  14           HA       LYS  14  -4.366   6.990 -11.106
  120   1HB   LYS  14          2HB       LYS  14  -6.558   5.753 -11.254
  121   2HB   LYS  14          3HB       LYS  14  -6.885   6.201  -9.579
  122   1HG   LYS  14          2HG       LYS  14  -6.176   8.454 -11.363
  123   2HG   LYS  14          3HG       LYS  14  -7.648   7.596 -11.820
  124   1HD   LYS  14          2HD       LYS  14  -8.829   8.237  -9.984
  125   2HD   LYS  14          3HD       LYS  14  -7.417   8.277  -8.908
  126   1HE   LYS  14          2HE       LYS  14  -6.642  10.323  -9.697
  127   2HE   LYS  14          3HE       LYS  14  -7.607  10.254 -11.181
  128   1HZ   LYS  14          1HZ       LYS  14  -8.908  10.393  -8.559
  129   2HZ   LYS  14          2HZ       LYS  14  -8.411  11.763  -9.335
  130   3HZ   LYS  14          3HZ       LYS  14  -9.526  10.770 -10.036
  131    H    HIS  15           H        HIS  15  -3.825   5.959  -7.879
  132    HA   HIS  15           HA       HIS  15  -4.029   8.720  -6.842
  133   1HB   HIS  15          2HB       HIS  15  -3.381   6.036  -5.582
  134   2HB   HIS  15          3HB       HIS  15  -3.310   7.566  -4.720
  135    HD1  HIS  15           HD1      HIS  15  -5.824   9.025  -4.838
  136    HD2  HIS  15           HD2      HIS  15  -5.704   4.870  -5.533
  137    HE1  HIS  15           HE1      HIS  15  -8.209   8.137  -4.522
  138    H    ASN  16           H        ASN  16  -1.412   7.238  -5.400
  139    HA   ASN  16           HA       ASN  16   0.750   7.696  -5.422
  140   1HB   ASN  16          2HB       ASN  16   2.058   7.045  -7.394
  141   2HB   ASN  16          3HB       ASN  16   0.814   5.870  -6.997
  142   1HD2  ASN  16          1HD       ASN  16  -1.059   5.644  -8.409
  143   2HD2  ASN  16          2HD       ASN  16  -0.982   6.277 -10.047
  144    H    HIS  17           H        HIS  17  -0.709  10.042  -5.392
  145    HA   HIS  17           HA       HIS  17   0.758  11.805  -7.324
  146   1HB   HIS  17          2HB       HIS  17  -1.923  12.084  -5.974
  147   2HB   HIS  17          3HB       HIS  17  -1.060  13.472  -6.645
  148    HD1  HIS  17           HD1      HIS  17  -0.347  13.103  -9.406
  149    HD2  HIS  17           HD2      HIS  17  -3.362  10.730  -7.689
  150    HE1  HIS  17           HE1      HIS  17  -1.721  12.157 -11.337
  151    H    SER  18           H        SER  18  -0.682  12.291  -4.106
  152    HA   SER  18           HA       SER  18   1.827  12.853  -2.809
  153   1HB   SER  18          2HB       SER  18   1.123  14.944  -4.426
  154   2HB   SER  18          3HB       SER  18   0.188  15.367  -2.987
  155    HG   SER  18           HG       SER  18   2.888  15.424  -3.430
  156    H    LYS  19           H        LYS  19  -1.724  13.536  -2.933
  157    HA   LYS  19           HA       LYS  19  -1.901  13.020  -0.016
  158   1HB   LYS  19          2HB       LYS  19  -3.470  14.747  -1.949
  159   2HB   LYS  19          3HB       LYS  19  -4.322  13.979  -0.642
  160   1HG   LYS  19          2HG       LYS  19  -3.765  15.785   0.557
  161   2HG   LYS  19          3HG       LYS  19  -2.259  14.930   0.824
  162   1HD   LYS  19          2HD       LYS  19  -1.205  16.752  -0.047
  163   2HD   LYS  19          3HD       LYS  19  -1.833  16.263  -1.623
  164   1HE   LYS  19          2HE       LYS  19  -2.706  18.431  -1.463
  165   2HE   LYS  19          3HE       LYS  19  -4.043  17.453  -0.839
  166   1HZ   LYS  19          1HZ       LYS  19  -2.936  17.891   1.413
  167   2HZ   LYS  19          2HZ       LYS  19  -2.140  19.113   0.652
  168   3HZ   LYS  19          3HZ       LYS  19  -3.783  19.121   0.720
  169    H    SER  20           H        SER  20  -1.504  11.016  -2.189
  170    HA   SER  20           HA       SER  20  -3.349   9.167  -1.139
  171   1HB   SER  20          2HB       SER  20  -4.503   8.530  -3.192
  172   2HB   SER  20          3HB       SER  20  -5.032  10.068  -2.535
  173    HG   SER  20           HG       SER  20  -3.347   9.681  -4.778
  174    H    THR  21           H        THR  21  -1.710   7.857  -0.730
  175    HA   THR  21           HA       THR  21  -0.087   6.793  -2.961
  176    HB   THR  21           HB       THR  21   0.763   7.700  -0.194
  177    HG1  THR  21          1HG       THR  21   1.829   8.170  -2.779
  178   1HG2  THR  21          1HG       THR  21   3.025   6.703  -1.505
  179   2HG2  THR  21          2HG       THR  21   2.151   5.927  -0.158
  180   3HG2  THR  21          3HG       THR  21   1.810   5.468  -1.834
  181    H    TRP  22           H        TRP  22  -1.501   5.133  -3.236
  182    HA   TRP  22           HA       TRP  22  -1.883   3.356  -0.917
  183   1HB   TRP  22          2HB       TRP  22  -3.017   3.356  -3.739
  184   2HB   TRP  22          3HB       TRP  22  -3.315   2.076  -2.561
  185    HD1  TRP  22           HD1      TRP  22  -3.350   5.040  -0.506
  186    HE1  TRP  22           HE1      TRP  22  -5.687   5.927  -0.108
  187    HE3  TRP  22           HE3      TRP  22  -5.804   2.435  -4.146
  188    HZ2  TRP  22           HZ2      TRP  22  -8.279   5.725  -1.341
  189    HZ3  TRP  22           HZ3      TRP  22  -8.193   2.865  -4.586
  190    HH2  TRP  22           HH2      TRP  22  -9.421   4.574  -3.226
  191    H    LEU  23           H        LEU  23  -1.515   0.966  -1.587
  192    HA   LEU  23           HA       LEU  23   0.255   0.285  -3.706
  193   1HB   LEU  23          2HB       LEU  23   2.231  -0.312  -2.222
  194   2HB   LEU  23          3HB       LEU  23   2.012   1.369  -2.625
  195    HG   LEU  23           HG       LEU  23   0.788   1.558  -0.268
  196   1HD1  LEU  23          1HD       LEU  23   1.441  -0.025   1.349
  197   2HD1  LEU  23          2HD       LEU  23   0.725  -0.916   0.013
  198   3HD1  LEU  23          3HD       LEU  23   2.488  -0.870   0.172
  199   1HD2  LEU  23          1HD       LEU  23   3.579   1.747  -1.116
  200   2HD2  LEU  23          2HD       LEU  23   2.704   2.690   0.095
  201   3HD2  LEU  23          3HD       LEU  23   3.506   1.170   0.545
  202    H    ILE  24           H        ILE  24   0.848  -2.158  -3.427
  203    HA   ILE  24           HA       ILE  24  -1.364  -3.414  -1.851
  204    HB   ILE  24           HB       ILE  24   0.101  -4.496  -4.314
  205   1HG1  ILE  24          2HG       ILE  24  -0.936  -2.520  -5.107
  206   2HG1  ILE  24          3HG       ILE  24  -1.880  -3.897  -5.666
  207   1HG2  ILE  24          1HG       ILE  24  -1.308  -5.958  -2.594
  208   2HG2  ILE  24          2HG       ILE  24  -2.642  -5.401  -3.620
  209   3HG2  ILE  24          3HG       ILE  24  -1.285  -6.275  -4.337
  210   1HD1  ILE  24          1HD       ILE  24  -3.129  -1.843  -4.679
  211   2HD1  ILE  24          2HD       ILE  24  -3.652  -3.444  -4.133
  212   3HD1  ILE  24          3HD       ILE  24  -2.628  -2.396  -3.133
  213    H    LEU  25           H        LEU  25  -0.339  -4.483  -0.053
  214    HA   LEU  25           HA       LEU  25   2.406  -5.552  -0.526
  215   1HB   LEU  25          2HB       LEU  25   1.190  -4.849   2.123
  216   2HB   LEU  25          3HB       LEU  25   2.849  -5.354   1.829
  217    HG   LEU  25           HG       LEU  25   1.570  -2.840   0.737
  218   1HD1  LEU  25          1HD       LEU  25   2.255  -1.783   2.547
  219   2HD1  LEU  25          2HD       LEU  25   2.570  -3.357   3.298
  220   3HD1  LEU  25          3HD       LEU  25   3.874  -2.480   2.453
  221   1HD2  LEU  25          1HD       LEU  25   3.158  -3.419  -0.831
  222   2HD2  LEU  25          2HD       LEU  25   4.097  -2.381   0.253
  223   3HD2  LEU  25          3HD       LEU  25   4.252  -4.146   0.360
  224    H    HIS  26           H        HIS  26  -0.330  -6.793  -0.891
  225    HA   HIS  26           HA       HIS  26  -0.010  -9.436  -0.459
  226   1HB   HIS  26          2HB       HIS  26  -1.090 -10.078   1.617
  227   2HB   HIS  26          3HB       HIS  26   0.402  -9.260   1.929
  228    HD1  HIS  26           HD1      HIS  26  -2.208  -9.574   3.882
  229    HD2  HIS  26           HD2      HIS  26  -1.015  -6.144   1.755
  230    HE1  HIS  26           HE1      HIS  26  -3.228  -7.543   5.071
  231    H    HIS  27           H        HIS  27  -1.331  -8.927  -2.390
  232    HA   HIS  27           HA       HIS  27  -3.257  -8.382  -3.541
  233   1HB   HIS  27          2HB       HIS  27  -4.311 -10.579  -1.731
  234   2HB   HIS  27          3HB       HIS  27  -4.797 -10.238  -3.393
  235    HD1  HIS  27           HD1      HIS  27  -2.765 -10.794  -5.292
  236    HD2  HIS  27           HD2      HIS  27  -2.346 -12.251  -1.357
  237    HE1  HIS  27           HE1      HIS  27  -0.932 -12.576  -5.350
  238    H    LYS  28           H        LYS  28  -3.184  -6.425  -1.576
  239    HA   LYS  28           HA       LYS  28  -5.985  -5.867  -1.054
  240   1HB   LYS  28          2HB       LYS  28  -3.970  -6.459   1.120
  241   2HB   LYS  28          3HB       LYS  28  -4.899  -4.984   1.313
  242   1HG   LYS  28          2HG       LYS  28  -6.424  -6.334   2.323
  243   2HG   LYS  28          3HG       LYS  28  -6.939  -6.587   0.674
  244   1HD   LYS  28          2HD       LYS  28  -5.303  -8.564   0.629
  245   2HD   LYS  28          3HD       LYS  28  -5.211  -8.403   2.387
  246   1HE   LYS  28          2HE       LYS  28  -7.526  -8.945   2.629
  247   2HE   LYS  28          3HE       LYS  28  -7.898  -8.478   0.963
  248   1HZ   LYS  28          1HZ       LYS  28  -7.914 -10.808   1.133
  249   2HZ   LYS  28          2HZ       LYS  28  -6.649 -10.348   0.189
  250   3HZ   LYS  28          3HZ       LYS  28  -6.365 -10.865   1.732
  251    H    VAL  29           H        VAL  29  -6.067  -3.376  -0.207
  252    HA   VAL  29           HA       VAL  29  -3.922  -1.921  -1.598
  253    HB   VAL  29           HB       VAL  29  -6.880  -1.692  -1.281
  254   1HG1  VAL  29          1HG       VAL  29  -5.105   0.399  -2.539
  255   2HG1  VAL  29          2HG       VAL  29  -6.888   0.423  -2.425
  256   3HG1  VAL  29          3HG       VAL  29  -5.902   0.521  -0.958
  257   1HG2  VAL  29          1HG       VAL  29  -6.396  -3.065  -3.152
  258   2HG2  VAL  29          2HG       VAL  29  -7.021  -1.495  -3.694
  259   3HG2  VAL  29          3HG       VAL  29  -5.281  -1.833  -3.794
  260    H    TYR  30           H        TYR  30  -2.687  -1.104  -0.086
  261    HA   TYR  30           HA       TYR  30  -3.676  -0.282   2.543
  262   1HB   TYR  30          2HB       TYR  30  -1.075  -1.029   1.222
  263   2HB   TYR  30          3HB       TYR  30  -1.001   0.125   2.517
  264    HD1  TYR  30           HD1      TYR  30  -3.076  -0.946   4.372
  265    HD2  TYR  30           HD2      TYR  30  -0.047  -2.957   2.136
  266    HE1  TYR  30           HE1      TYR  30  -3.089  -2.740   6.027
  267    HE2  TYR  30           HE2      TYR  30   0.065  -4.735   3.921
  268    HH   TYR  30           HH       TYR  30  -1.817  -4.549   6.910
  269    H    ASP  31           H        ASP  31  -3.625   1.863   3.205
  270    HA   ASP  31           HA       ASP  31  -2.791   3.932   1.258
  271   1HB   ASP  31          2HB       ASP  31  -5.209   3.951   1.626
  272   2HB   ASP  31          3HB       ASP  31  -4.976   4.027   3.379
  273    H    LEU  32           H        LEU  32  -0.860   4.602   1.913
  274    HA   LEU  32           HA       LEU  32  -0.513   5.065   4.842
  275   1HB   LEU  32          2HB       LEU  32   1.997   4.803   3.389
  276   2HB   LEU  32          3HB       LEU  32   1.456   4.066   4.888
  277    HG   LEU  32           HG       LEU  32   0.713   2.936   2.169
  278   1HD1  LEU  32          1HD       LEU  32   3.120   3.063   2.431
  279   2HD1  LEU  32          2HD       LEU  32   3.017   2.325   4.054
  280   3HD1  LEU  32          3HD       LEU  32   2.565   1.412   2.589
  281   1HD2  LEU  32          1HD       LEU  32  -0.734   1.996   3.805
  282   2HD2  LEU  32          2HD       LEU  32   0.627   0.857   3.793
  283   3HD2  LEU  32          3HD       LEU  32   0.502   2.070   5.066
  284    H    THR  33           H        THR  33  -1.683   6.866   2.707
  285    HA   THR  33           HA       THR  33   0.139   8.748   1.781
  286    HB   THR  33           HB       THR  33  -2.725   9.097   2.831
  287    HG1  THR  33          1HG       THR  33  -3.183   7.690   1.437
  288   1HG2  THR  33          1HG       THR  33  -1.545  11.186   2.189
  289   2HG2  THR  33          2HG       THR  33  -1.280  10.483   0.573
  290   3HG2  THR  33          3HG       THR  33  -2.945  10.794   1.185
  291    H    LYS  34           H        LYS  34  -1.791   8.860   4.811
  292    HA   LYS  34           HA       LYS  34  -0.329  11.237   5.741
  293   1HB   LYS  34          2HB       LYS  34  -2.727  10.963   6.204
  294   2HB   LYS  34          3HB       LYS  34  -2.423   9.495   7.117
  295   1HG   LYS  34          2HG       LYS  34  -0.859  11.893   8.011
  296   2HG   LYS  34          3HG       LYS  34  -2.593  12.083   8.148
  297   1HD   LYS  34          2HD       LYS  34  -2.757  10.693   9.924
  298   2HD   LYS  34          3HD       LYS  34  -1.752   9.456   9.161
  299   1HE   LYS  34          2HE       LYS  34   0.203  11.194   9.706
  300   2HE   LYS  34          3HE       LYS  34  -0.929  11.713  10.968
  301   1HZ   LYS  34          1HZ       LYS  34   0.082   8.975  10.515
  302   2HZ   LYS  34          2HZ       LYS  34   0.581   9.964  11.711
  303   3HZ   LYS  34          3HZ       LYS  34  -0.967   9.394  11.723
  304    H    PHE  35           H        PHE  35   0.620   8.130   5.392
  305    HA   PHE  35           HA       PHE  35   2.175   8.034   7.894
  306   1HB   PHE  35          2HB       PHE  35   0.643   6.198   7.451
  307   2HB   PHE  35          3HB       PHE  35   1.381   5.934   5.900
  308    HD1  PHE  35          1HD       PHE  35   2.248   6.002   9.535
  309    HD2  PHE  35          2HD       PHE  35   3.475   4.780   5.593
  310    HE1  PHE  35          1HE       PHE  35   4.127   4.705  10.490
  311    HE2  PHE  35          2HE       PHE  35   5.049   3.204   6.538
  312    HZ   PHE  35           HZ       PHE  35   5.591   3.390   8.985
  313    H    LEU  36           H        LEU  36   2.375   8.530   4.518
  314    HA   LEU  36           HA       LEU  36   5.045   7.609   3.798
  315   1HB   LEU  36          2HB       LEU  36   3.268  10.144   3.198
  316   2HB   LEU  36          3HB       LEU  36   4.815   9.945   2.414
  317    HG   LEU  36           HG       LEU  36   2.316   8.298   2.000
  318   1HD1  LEU  36          1HD       LEU  36   3.691  10.561   0.655
  319   2HD1  LEU  36          2HD       LEU  36   3.163   9.273  -0.414
  320   3HD1  LEU  36          3HD       LEU  36   1.983  10.074   0.632
  321   1HD2  LEU  36          1HD       LEU  36   3.735   6.625   1.622
  322   2HD2  LEU  36          2HD       LEU  36   4.182   7.496   0.135
  323   3HD2  LEU  36          3HD       LEU  36   5.157   7.708   1.574
  324    H    GLU  37           H        GLU  37   4.508  10.995   4.907
  325    HA   GLU  37           HA       GLU  37   7.336  11.061   5.554
  326   1HB   GLU  37          2HB       GLU  37   4.967  12.839   6.189
  327   2HB   GLU  37          3HB       GLU  37   6.588  13.185   6.802
  328   1HG   GLU  37          2HG       GLU  37   6.543  12.569   3.893
  329   2HG   GLU  37          3HG       GLU  37   5.565  13.968   4.318
  330    H    GLU  38           H        GLU  38   4.643   9.678   7.167
  331    HA   GLU  38           HA       GLU  38   5.853   9.839   9.845
  332   1HB   GLU  38          2HB       GLU  38   3.226   9.691   8.831
  333   2HB   GLU  38          3HB       GLU  38   3.499   8.111   9.570
  334   1HG   GLU  38          2HG       GLU  38   3.975  10.804  10.920
  335   2HG   GLU  38          3HG       GLU  38   2.497   9.859  11.059
  336    H    HIS  39           HN       HIS  39   6.581   8.022   7.148
  337    HA   HIS  39           HA       HIS  39   6.622   5.471   8.451
  338   1HB   HIS  39          2HB       HIS  39   6.097   5.472   6.130
  339   2HB   HIS  39          3HB       HIS  39   7.536   6.369   5.731
  340    HD1  HIS  39           HND      HIS  39   9.200   5.045   4.639
  341    HD2  HIS  39           HD       HIS  39   6.979   2.682   7.230
  342    HE1  HIS  39           HE       HIS  39  10.095   2.719   4.343
  343    HA   PRO  40           HA       PRO  40  10.737   6.346  10.085
  344   1HB   PRO  40          2HB       PRO  40  11.198   3.866  11.210
  345   2HB   PRO  40          3HB       PRO  40  10.196   5.155  11.939
  346   1HG   PRO  40          2HG       PRO  40   9.335   2.689  10.528
  347   2HG   PRO  40          3HG       PRO  40   8.518   3.557  11.860
  348   1HD   PRO  40          2HD       PRO  40   7.888   3.658   9.125
  349   2HD   PRO  40          3HD       PRO  40   7.342   4.831  10.366
  350    H    GLY  41           H        GLY  41  11.590   6.646   7.976
  351   1HA   GLY  41          2HA       GLY  41  13.834   5.368   7.290
  352   2HA   GLY  41          3HA       GLY  41  12.637   4.330   6.493
  353    H    GLY  42           H        GLY  42  11.032   5.503   5.102
  354   1HA   GLY  42          2HA       GLY  42  11.871   8.073   3.973
  355   2HA   GLY  42          3HA       GLY  42  12.156   6.712   2.889
  356    H    GLU  43           H        GLU  43  10.159   9.137   3.001
  357    HA   GLU  43           HA       GLU  43   7.594   7.798   2.818
  358   1HB   GLU  43          2HB       GLU  43   6.817  10.015   2.624
  359   2HB   GLU  43          3HB       GLU  43   8.153  10.077   3.741
  360   1HG   GLU  43          2HG       GLU  43   8.461  11.968   2.496
  361   2HG   GLU  43          3HG       GLU  43   9.596  10.852   1.762
  362    H    GLU  44           H        GLU  44   9.952   9.132   0.801
  363    HA   GLU  44           HA       GLU  44   8.450   9.170  -1.697
  364   1HB   GLU  44          2HB       GLU  44  10.512  10.507  -1.537
  365   2HB   GLU  44          3HB       GLU  44  11.477   9.045  -1.433
  366   1HG   GLU  44          2HG       GLU  44   9.860   8.843  -3.846
  367   2HG   GLU  44          3HG       GLU  44  10.462  10.471  -3.782
  368    H    VAL  45           H        VAL  45  10.646   6.721  -0.265
  369    HA   VAL  45           HA       VAL  45  10.477   4.914  -2.448
  370    HB   VAL  45           HB       VAL  45  10.874   3.178  -0.663
  371   1HG1  VAL  45          1HG       VAL  45  12.824   5.506  -0.785
  372   2HG1  VAL  45          2HG       VAL  45  13.203   3.814  -0.362
  373   3HG1  VAL  45          3HG       VAL  45  12.660   4.225  -2.001
  374   1HG2  VAL  45          1HG       VAL  45  11.781   5.104   1.340
  375   2HG2  VAL  45          2HG       VAL  45  10.028   5.144   1.105
  376   3HG2  VAL  45          3HG       VAL  45  10.814   3.629   1.533
  377    H    LEU  46           H        LEU  46   8.061   5.606   0.407
  378    HA   LEU  46           HA       LEU  46   6.606   3.311  -0.565
  379   1HB   LEU  46          2HB       LEU  46   5.601   5.822   0.662
  380   2HB   LEU  46          3HB       LEU  46   4.789   4.241   0.706
  381    HG   LEU  46           HG       LEU  46   7.055   5.399   2.292
  382   1HD1  LEU  46          1HD       LEU  46   4.553   4.866   2.979
  383   2HD1  LEU  46          2HD       LEU  46   5.230   3.235   3.266
  384   3HD1  LEU  46          3HD       LEU  46   5.894   4.643   4.105
  385   1HD2  LEU  46          1HD       LEU  46   7.636   3.002   3.065
  386   2HD2  LEU  46          2HD       LEU  46   6.957   2.473   1.515
  387   3HD2  LEU  46          3HD       LEU  46   8.362   3.561   1.575
  388    H    ARG  47           H        ARG  47   6.967   6.546  -1.950
  389    HA   ARG  47           HA       ARG  47   4.632   6.284  -3.663
  390   1HB   ARG  47          2HB       ARG  47   5.837   8.474  -2.880
  391   2HB   ARG  47          3HB       ARG  47   6.940   8.131  -4.223
  392   1HG   ARG  47          2HG       ARG  47   4.564   7.824  -5.532
  393   2HG   ARG  47          3HG       ARG  47   4.037   8.918  -4.247
  394   1HD   ARG  47          2HD       ARG  47   5.918  10.464  -4.886
  395   2HD   ARG  47          3HD       ARG  47   6.333   9.332  -6.196
  396    HE   ARG  47           HE       ARG  47   3.548  10.210  -6.223
  397   1HH1  ARG  47          2HH       ARG  47   6.802  10.965  -7.351
  398   2HH1  ARG  47          1HH       ARG  47   6.283  11.897  -8.712
  399   1HH2  ARG  47          2HH       ARG  47   2.836  11.307  -7.993
  400   2HH2  ARG  47          1HH       ARG  47   3.905  12.207  -9.038
  401    H    GLU  48           H        GLU  48   8.033   5.263  -3.877
  402    HA   GLU  48           HA       GLU  48   8.107   5.149  -6.747
  403   1HB   GLU  48          2HB       GLU  48   9.830   4.290  -4.503
  404   2HB   GLU  48          3HB       GLU  48   9.813   3.111  -5.801
  405   1HG   GLU  48          2HG       GLU  48  10.128   5.371  -7.291
  406   2HG   GLU  48          3HG       GLU  48  10.898   5.893  -5.791
  407    H    GLN  49           H        GLN  49   6.613   3.101  -4.405
  408    HA   GLN  49           HA       GLN  49   5.985   1.090  -6.542
  409   1HB   GLN  49          2HB       GLN  49   6.076   0.863  -3.533
  410   2HB   GLN  49          3HB       GLN  49   5.697  -0.452  -4.691
  411   1HG   GLN  49          2HG       GLN  49   8.387   1.000  -4.652
  412   2HG   GLN  49          3HG       GLN  49   8.036  -0.405  -3.666
  413   1HE2  GLN  49          1HE       GLN  49  10.113  -0.795  -5.332
  414   2HE2  GLN  49          2HE       GLN  49   9.580  -1.817  -6.666
  415    H    ALA  50           H        ALA  50   4.730   3.769  -5.244
  416    HA   ALA  50           HA       ALA  50   2.284   2.983  -4.105
  417   1HB   ALA  50          1HB       ALA  50   2.901   5.246  -3.844
  418   2HB   ALA  50          2HB       ALA  50   3.066   5.498  -5.610
  419   3HB   ALA  50          3HB       ALA  50   1.466   5.275  -4.860
  420    H    GLY  51           H        GLY  51   0.228   2.733  -4.935
  421   1HA   GLY  51          2HA       GLY  51  -1.369   2.030  -6.357
  422   2HA   GLY  51          3HA       GLY  51  -0.596   2.979  -7.638
  423    H    GLY  52           H        GLY  52   1.345   0.480  -5.971
  424   1HA   GLY  52          2HA       GLY  52   1.114  -1.360  -8.255
  425   2HA   GLY  52          3HA       GLY  52   2.658  -0.578  -7.834
  426    H    ASP  53           H        ASP  53   2.661  -3.257  -7.724
  427    HA   ASP  53           HA       ASP  53   2.002  -4.313  -5.149
  428   1HB   ASP  53          2HB       ASP  53   3.284  -6.255  -6.131
  429   2HB   ASP  53          3HB       ASP  53   1.746  -5.826  -6.862
  430    H    ALA  54           H        ALA  54   3.084  -3.317  -3.544
  431    HA   ALA  54           HA       ALA  54   6.055  -3.313  -3.652
  432   1HB   ALA  54          1HB       ALA  54   4.061  -1.756  -2.025
  433   2HB   ALA  54          2HB       ALA  54   5.691  -1.998  -1.325
  434   3HB   ALA  54          3HB       ALA  54   5.548  -1.189  -2.780
  435    H    THR  55           H        THR  55   3.477  -5.390  -2.686
  436    HA   THR  55           HA       THR  55   4.192  -6.554  -0.410
  437    HB   THR  55           HB       THR  55   3.722  -8.205  -2.949
  438    HG1  THR  55          1HG       THR  55   1.890  -7.367  -3.193
  439   1HG2  THR  55          1HG       THR  55   2.100  -9.158  -0.954
  440   2HG2  THR  55          2HG       THR  55   3.698  -9.803  -1.366
  441   3HG2  THR  55          3HG       THR  55   3.532  -8.629  -0.050
  442    H    GLU  56           H        GLU  56   5.782  -7.315  -3.558
  443    HA   GLU  56           HA       GLU  56   7.629  -9.222  -2.611
  444   1HB   GLU  56          2HB       GLU  56   7.778  -7.117  -4.793
  445   2HB   GLU  56          3HB       GLU  56   9.067  -8.295  -4.525
  446   1HG   GLU  56          2HG       GLU  56   6.361  -9.514  -4.700
  447   2HG   GLU  56          3HG       GLU  56   6.839  -8.647  -6.155
  448    H    ASN  57           H        ASN  57   7.871  -5.624  -2.689
  449    HA   ASN  57           HA       ASN  57  10.544  -5.490  -1.642
  450   1HB   ASN  57          2HB       ASN  57   8.540  -3.570  -2.373
  451   2HB   ASN  57          3HB       ASN  57   8.875  -3.245  -0.676
  452   1HD2  ASN  57          1HD       ASN  57   9.910  -2.460  -3.700
  453   2HD2  ASN  57          2HD       ASN  57  11.503  -1.880  -3.187
  454    H    PHE  58           H        PHE  58   7.650  -4.635  -0.135
  455    HA   PHE  58           HA       PHE  58   8.215  -4.851   2.689
  456   1HB   PHE  58          2HB       PHE  58   5.818  -4.854   1.836
  457   2HB   PHE  58          3HB       PHE  58   5.890  -6.606   1.857
  458    HD1  PHE  58          1HD       PHE  58   4.932  -3.797   3.685
  459    HD2  PHE  58          2HD       PHE  58   6.774  -7.637   4.336
  460    HE1  PHE  58          1HE       PHE  58   4.286  -3.706   6.066
  461    HE2  PHE  58          2HE       PHE  58   6.234  -7.472   6.729
  462    HZ   PHE  58           HZ       PHE  58   4.998  -5.516   7.607
  463    H    GLU  59           H        GLU  59   7.729  -7.935   0.880
  464    HA   GLU  59           HA       GLU  59   8.372  -9.498   3.254
  465   1HB   GLU  59          2HB       GLU  59   7.517  -9.953   0.408
  466   2HB   GLU  59          3HB       GLU  59   8.575 -11.214   0.972
  467   1HG   GLU  59          2HG       GLU  59   6.168 -10.461   2.643
  468   2HG   GLU  59          3HG       GLU  59   5.977 -11.430   1.179
  469    H    ASP  60           H        ASP  60  10.065  -8.640   0.266
  470    HA   ASP  60           HA       ASP  60  12.329 -10.262   0.277
  471   1HB   ASP  60          2HB       ASP  60  11.618  -7.580  -0.853
  472   2HB   ASP  60          3HB       ASP  60  13.307  -7.772  -0.530
  473    H    VAL  61           H        VAL  61  11.920  -6.992   1.611
  474    HA   VAL  61           HA       VAL  61  14.463  -7.048   2.995
  475    HB   VAL  61           HB       VAL  61  13.760  -4.972   4.043
  476   1HG1  VAL  61          1HG       VAL  61  14.443  -4.164   2.057
  477   2HG1  VAL  61          2HG       VAL  61  13.564  -5.371   1.110
  478   3HG1  VAL  61          3HG       VAL  61  12.728  -3.928   1.685
  479   1HG2  VAL  61          1HG       VAL  61  10.999  -5.587   2.972
  480   2HG2  VAL  61          2HG       VAL  61  11.501  -5.391   4.665
  481   3HG2  VAL  61          3HG       VAL  61  11.508  -4.001   3.569
  482    H    GLY  62           H        GLY  62  10.995  -7.606   4.059
  483   1HA   GLY  62          2HA       GLY  62  10.390  -9.343   5.462
  484   2HA   GLY  62          3HA       GLY  62  12.098  -9.636   5.873
  485    H    HIS  63           HN       HIS  63   9.799  -6.931   5.945
  486    HA   HIS  63           HA       HIS  63  11.047  -5.222   7.573
  487   1HB   HIS  63          2HB       HIS  63   8.185  -5.779   6.909
  488   2HB   HIS  63          3HB       HIS  63   8.397  -4.777   8.311
  489    HD1  HIS  63           HND      HIS  63   9.590  -4.632   4.661
  490    HD2  HIS  63           HD       HIS  63   8.412  -2.300   7.946
  491    HE1  HIS  63           HE       HIS  63   9.604  -2.244   3.853
  492    H    SER  64           H        SER  64   8.273  -7.006   8.962
  493    HA   SER  64           HA       SER  64   9.428  -8.219  11.173
  494   1HB   SER  64          2HB       SER  64   8.336  -6.320  12.802
  495   2HB   SER  64          3HB       SER  64  10.059  -6.413  12.421
  496    HG   SER  64           HG       SER  64   9.903  -4.731  11.137
  497    H    THR  65           H        THR  65   7.672  -9.058  12.624
  498    HA   THR  65           HA       THR  65   5.231  -9.486  11.265
  499    HB   THR  65           HB       THR  65   6.228  -9.873  14.116
  500    HG1  THR  65          1HG       THR  65   5.989 -11.679  11.946
  501   1HG2  THR  65          1HG       THR  65   3.744  -9.986  14.063
  502   2HG2  THR  65          2HG       THR  65   3.850 -11.255  12.817
  503   3HG2  THR  65          3HG       THR  65   4.518 -11.531  14.447
  504    H    ASP  66           H        ASP  66   6.087  -7.360  14.066
  505    HA   ASP  66           HA       ASP  66   3.473  -6.421  14.451
  506   1HB   ASP  66          2HB       ASP  66   6.011  -6.132  15.659
  507   2HB   ASP  66          3HB       ASP  66   5.573  -4.492  15.207
  508    H    ALA  67           H        ALA  67   5.818  -5.412  12.073
  509    HA   ALA  67           HA       ALA  67   4.768  -2.688  11.149
  510   1HB   ALA  67          1HB       ALA  67   6.244  -3.219   9.371
  511   2HB   ALA  67          2HB       ALA  67   7.071  -3.516  10.912
  512   3HB   ALA  67          3HB       ALA  67   6.510  -4.886   9.933
  513    H    ARG  68           H        ARG  68   4.627  -6.422  10.386
  514    HA   ARG  68           HA       ARG  68   2.912  -6.049   8.176
  515   1HB   ARG  68          2HB       ARG  68   4.284  -8.174   9.088
  516   2HB   ARG  68          3HB       ARG  68   2.625  -8.669   9.459
  517   1HG   ARG  68          2HG       ARG  68   1.932  -8.500   7.199
  518   2HG   ARG  68          3HG       ARG  68   3.273  -7.461   6.732
  519   1HD   ARG  68          2HD       ARG  68   4.749  -9.106   6.452
  520   2HD   ARG  68          3HD       ARG  68   4.173 -10.045   7.810
  521    HE   ARG  68           HE       ARG  68   3.383 -10.261   5.009
  522   1HH1  ARG  68          2HH       ARG  68   2.332 -10.819   8.309
  523   2HH1  ARG  68          1HH       ARG  68   1.183 -12.056   7.948
  524   1HH2  ARG  68          2HH       ARG  68   1.824 -11.918   4.438
  525   2HH2  ARG  68          1HH       ARG  68   0.882 -12.684   5.667
  526    H    GLU  69           H        GLU  69   2.184  -5.861  11.576
  527    HA   GLU  69           HA       GLU  69  -0.724  -6.420  11.238
  528   1HB   GLU  69          2HB       GLU  69   1.283  -6.425  13.488
  529   2HB   GLU  69          3HB       GLU  69  -0.317  -5.822  13.891
  530   1HG   GLU  69          2HG       GLU  69  -0.584  -8.221  12.309
  531   2HG   GLU  69          3HG       GLU  69   0.534  -8.547  13.628
  532    H    LEU  70           H        LEU  70   1.482  -3.682  12.367
  533    HA   LEU  70           HA       LEU  70  -0.752  -2.078  13.003
  534   1HB   LEU  70          2HB       LEU  70   0.807  -0.671  13.706
  535   2HB   LEU  70          3HB       LEU  70   1.935  -1.939  13.395
  536    HG   LEU  70           HG       LEU  70   2.821   0.119  12.644
  537   1HD1  LEU  70          1HD       LEU  70   2.831  -2.204  11.332
  538   2HD1  LEU  70          2HD       LEU  70   2.374  -1.120  10.014
  539   3HD1  LEU  70          3HD       LEU  70   3.859  -0.801  10.925
  540   1HD2  LEU  70          1HD       LEU  70   0.891   0.383  10.435
  541   2HD2  LEU  70          2HD       LEU  70   0.426   0.897  12.063
  542   3HD2  LEU  70          3HD       LEU  70   1.870   1.605  11.260
  543    H    SER  71           H        SER  71   1.029  -2.810  10.084
  544    HA   SER  71           HA       SER  71   0.184  -0.855   8.376
  545   1HB   SER  71          2HB       SER  71   0.294  -3.793   7.659
  546   2HB   SER  71          3HB       SER  71   0.293  -2.413   6.524
  547    HG   SER  71           HG       SER  71   2.304  -3.396   8.050
  548    H    LYS  72           H        LYS  72  -1.782  -3.420   9.745
  549    HA   LYS  72           HA       LYS  72  -3.956  -3.423   7.956
  550   1HB   LYS  72          2HB       LYS  72  -3.258  -4.919  10.069
  551   2HB   LYS  72          3HB       LYS  72  -4.333  -3.800  10.921
  552   1HG   LYS  72          2HG       LYS  72  -5.990  -5.218  10.237
  553   2HG   LYS  72          3HG       LYS  72  -5.819  -4.447   8.654
  554   1HD   LYS  72          2HD       LYS  72  -3.918  -6.233   8.244
  555   2HD   LYS  72          3HD       LYS  72  -4.600  -7.039   9.668
  556   1HE   LYS  72          2HE       LYS  72  -5.799  -8.041   7.909
  557   2HE   LYS  72          3HE       LYS  72  -6.891  -6.767   8.477
  558   1HZ   LYS  72          1HZ       LYS  72  -5.526  -5.452   6.647
  559   2HZ   LYS  72          2HZ       LYS  72  -5.436  -6.954   5.984
  560   3HZ   LYS  72          3HZ       LYS  72  -6.903  -6.273   6.298
  561    H    THR  73           H        THR  73  -2.978  -0.926  10.137
  562    HA   THR  73           HA       THR  73  -5.520   0.396  10.395
  563    HB   THR  73           HB       THR  73  -3.495   0.350  12.001
  564    HG1  THR  73          1HG       THR  73  -4.915   2.695  11.332
  565   1HG2  THR  73          1HG       THR  73  -1.942   1.452  10.185
  566   2HG2  THR  73          2HG       THR  73  -2.759   2.951  10.660
  567   3HG2  THR  73          3HG       THR  73  -1.874   2.009  11.872
  568    H    PHE  74           H        PHE  74  -3.926  -0.096   7.688
  569    HA   PHE  74           HA       PHE  74  -4.291   2.636   6.528
  570   1HB   PHE  74          2HB       PHE  74  -2.322   0.435   5.871
  571   2HB   PHE  74          3HB       PHE  74  -2.441   1.948   5.054
  572    HD1  PHE  74          1HD       PHE  74  -0.266   0.342   6.791
  573    HD2  PHE  74          2HD       PHE  74  -2.642   3.900   7.322
  574    HE1  PHE  74          1HE       PHE  74   1.356   1.199   8.425
  575    HE2  PHE  74          2HE       PHE  74  -0.967   4.755   8.949
  576    HZ   PHE  74           HZ       PHE  74   1.036   3.344   9.483
  577    H    ILE  75           H        ILE  75  -4.885  -0.898   6.146
  578    HA   ILE  75           HA       ILE  75  -5.503  -0.897   3.439
  579    HB   ILE  75           HB       ILE  75  -5.548  -2.679   5.623
  580   1HG1  ILE  75          2HG       ILE  75  -6.597  -3.872   3.201
  581   2HG1  ILE  75          3HG       ILE  75  -5.263  -2.827   2.804
  582   1HG2  ILE  75          1HG       ILE  75  -7.638  -3.892   5.479
  583   2HG2  ILE  75          2HG       ILE  75  -7.936  -2.229   5.990
  584   3HG2  ILE  75          3HG       ILE  75  -8.284  -2.726   4.313
  585   1HD1  ILE  75          1HD       ILE  75  -5.060  -5.457   3.740
  586   2HD1  ILE  75          2HD       ILE  75  -3.770  -4.279   3.517
  587   3HD1  ILE  75          3HD       ILE  75  -4.543  -4.476   5.105
  588    H    ILE  76           H        ILE  76  -7.091  -0.342   2.252
  589    HA   ILE  76           HA       ILE  76  -9.542   0.867   3.453
  590    HB   ILE  76           HB       ILE  76  -9.447   2.536   1.611
  591   1HG1  ILE  76          2HG       ILE  76  -6.814   2.831   0.848
  592   2HG1  ILE  76          3HG       ILE  76  -6.888   1.108   0.932
  593   1HG2  ILE  76          1HG       ILE  76  -7.946   2.486   4.073
  594   2HG2  ILE  76          2HG       ILE  76  -7.134   3.507   2.886
  595   3HG2  ILE  76          3HG       ILE  76  -8.826   3.798   3.288
  596   1HD1  ILE  76          1HD       ILE  76  -8.854   2.900  -0.502
  597   2HD1  ILE  76          2HD       ILE  76  -7.431   2.197  -1.249
  598   3HD1  ILE  76          3HD       ILE  76  -8.699   1.107  -0.657
  599    H    GLY  77           H        GLY  77  -8.430  -1.742   1.767
  600   1HA   GLY  77          2HA       GLY  77 -10.820  -2.742   1.133
  601   2HA   GLY  77          3HA       GLY  77 -10.502  -1.768  -0.311
  602    H    GLU  78           H        GLU  78 -10.549  -4.090  -1.265
  603    HA   GLU  78           HA       GLU  78  -7.753  -4.895  -1.443
  604   1HB   GLU  78          2HB       GLU  78  -8.215  -7.218  -1.414
  605   2HB   GLU  78          3HB       GLU  78  -9.002  -6.507   0.004
  606   1HG   GLU  78          2HG       GLU  78 -11.163  -6.486  -1.415
  607   2HG   GLU  78          3HG       GLU  78 -10.283  -7.502  -2.552
  608    H    LEU  79           H        LEU  79  -7.546  -6.254  -3.610
  609    HA   LEU  79           HA       LEU  79  -8.418  -4.562  -5.694
  610   1HB   LEU  79          2HB       LEU  79  -7.320  -7.418  -5.532
  611   2HB   LEU  79          3HB       LEU  79  -7.857  -6.735  -7.047
  612    HG   LEU  79           HG       LEU  79  -5.627  -6.303  -7.185
  613   1HD1  LEU  79          1HD       LEU  79  -5.321  -4.022  -7.167
  614   2HD1  LEU  79          2HD       LEU  79  -7.067  -4.281  -7.409
  615   3HD1  LEU  79          3HD       LEU  79  -6.444  -3.805  -5.797
  616   1HD2  LEU  79          1HD       LEU  79  -4.977  -6.976  -4.878
  617   2HD2  LEU  79          2HD       LEU  79  -4.134  -5.543  -5.486
  618   3HD2  LEU  79          3HD       LEU  79  -5.452  -5.352  -4.309
  619    H    HIS  80           H        HIS  80  -9.901  -4.857  -7.327
  620    HA   HIS  80           HA       HIS  80 -12.454  -5.376  -6.562
  621   1HB   HIS  80          2HB       HIS  80 -11.126  -4.784  -9.043
  622   2HB   HIS  80          3HB       HIS  80 -12.229  -6.119  -9.362
  623    HD1  HIS  80           HD1      HIS  80 -14.367  -4.977 -10.417
  624    HD2  HIS  80           HD2      HIS  80 -12.695  -2.966  -7.133
  625    HE1  HIS  80           HE1      HIS  80 -15.903  -2.996  -9.907
  626    HA   PRO  81           HA       PRO  81 -13.128  -9.602  -6.370
  627   1HB   PRO  81          2HB       PRO  81 -15.711  -9.970  -7.384
  628   2HB   PRO  81          3HB       PRO  81 -15.322  -9.299  -5.772
  629   1HG   PRO  81          2HG       PRO  81 -16.194  -7.855  -8.239
  630   2HG   PRO  81          3HG       PRO  81 -16.447  -7.422  -6.521
  631   1HD   PRO  81          2HD       PRO  81 -14.516  -6.395  -8.291
  632   2HD   PRO  81          3HD       PRO  81 -14.525  -6.154  -6.517
  633    H    ASP  82           H        ASP  82 -13.543  -8.157  -9.560
  634    HA   ASP  82           HA       ASP  82 -13.450 -10.525 -11.116
  635   1HB   ASP  82          2HB       ASP  82 -12.724  -7.615 -11.583
  636   2HB   ASP  82          3HB       ASP  82 -12.364  -8.836 -12.809
  637    H    ASP  83           H        ASP  83 -10.932  -8.592  -9.538
  638    HA   ASP  83           HA       ASP  83  -8.686 -10.005 -10.785
  639   1HB   ASP  83          2HB       ASP  83  -8.663  -7.553 -10.404
  640   2HB   ASP  83          3HB       ASP  83  -8.784  -7.828  -8.676
  641    H    ARG  84           H        ARG  84 -10.729 -11.402  -8.980
  642    HA   ARG  84           HA       ARG  84  -9.014 -12.040  -6.668
  643   1HB   ARG  84          2HB       ARG  84 -11.482 -11.750  -6.504
  644   2HB   ARG  84          3HB       ARG  84 -11.697 -13.173  -7.535
  645   1HG   ARG  84          2HG       ARG  84  -9.889 -13.850  -5.352
  646   2HG   ARG  84          3HG       ARG  84 -11.292 -13.021  -4.676
  647   1HD   ARG  84          2HD       ARG  84 -11.366 -15.434  -6.533
  648   2HD   ARG  84          3HD       ARG  84 -11.649 -15.449  -4.778
  649    HE   ARG  84           HE       ARG  84 -13.375 -13.571  -6.090
  650   1HH1  ARG  84          2HH       ARG  84 -12.952 -17.025  -5.573
  651   2HH1  ARG  84          1HH       ARG  84 -14.623 -17.437  -5.735
  652   1HH2  ARG  84          2HH       ARG  84 -15.621 -14.062  -6.328
  653   2HH2  ARG  84          1HH       ARG  84 -16.189 -15.684  -6.175
  654    H    SER  85           H        SER  85 -10.259 -13.688  -9.567
  655    HA   SER  85           HA       SER  85  -8.052 -15.410  -9.995
  656   1HB   SER  85          2HB       SER  85  -8.556 -16.509  -7.890
  657   2HB   SER  85          3HB       SER  85 -10.277 -16.612  -8.291
  658    HG   SER  85           HG       SER  85  -9.684 -18.067  -9.950
  659    H    LYS  86           H        LYS  86  -9.568 -13.795 -11.679
  660    HA   LYS  86           HA       LYS  86 -10.658 -15.861 -13.405
  661   1HB   LYS  86          2HB       LYS  86 -12.536 -15.104 -11.779
  662   2HB   LYS  86          3HB       LYS  86 -12.592 -13.613 -12.700
  663   1HG   LYS  86          2HG       LYS  86 -12.595 -16.102 -14.364
  664   2HG   LYS  86          3HG       LYS  86 -13.917 -16.023 -13.212
  665   1HD   LYS  86          2HD       LYS  86 -14.062 -13.488 -14.325
  666   2HD   LYS  86          3HD       LYS  86 -13.419 -14.478 -15.661
  667   1HE   LYS  86          2HE       LYS  86 -15.285 -16.176 -14.960
  668   2HE   LYS  86          3HE       LYS  86 -15.999 -14.812 -14.083
  669   1HZ   LYS  86          1HZ       LYS  86 -15.266 -14.186 -16.758
  670   2HZ   LYS  86          2HZ       LYS  86 -16.387 -15.396 -16.676
  671   3HZ   LYS  86          3HZ       LYS  86 -16.675 -13.912 -15.984
  672    H    LEU  87           H        LEU  87 -10.927 -12.261 -13.122
  673    HA   LEU  87           HA       LEU  87 -10.608 -10.661 -14.738
  674   1HB   LEU  87          2HB       LEU  87  -7.999 -12.214 -14.769
  675   2HB   LEU  87          3HB       LEU  87  -8.193 -10.601 -15.466
  676    HG   LEU  87           HG       LEU  87  -8.744 -11.252 -12.555
  677   1HD1  LEU  87          1HD       LEU  87  -6.457  -9.576 -12.874
  678   2HD1  LEU  87          2HD       LEU  87  -6.554 -11.202 -12.196
  679   3HD1  LEU  87          3HD       LEU  87  -6.232 -10.977 -13.930
  680   1HD2  LEU  87          1HD       LEU  87  -8.711  -8.695 -14.215
  681   2HD2  LEU  87          2HD       LEU  87  -9.984  -9.295 -13.131
  682   3HD2  LEU  87          3HD       LEU  87  -8.483  -8.647 -12.464
  683    H    SER  88           H        SER  88 -12.212 -12.556 -15.931
  684    HA   SER  88           HA       SER  88 -11.347 -12.306 -18.703
  685   1HB   SER  88          2HB       SER  88 -10.355 -14.514 -17.725
  686   2HB   SER  88          3HB       SER  88 -12.039 -15.088 -17.691
  687    HG   SER  88           HG       SER  88 -10.500 -14.210 -19.899
  688    H    LYS  89           H        LYS  89 -13.139 -13.253 -20.146
  689    HA   LYS  89           HA       LYS  89 -15.690 -13.768 -19.002
  690   1HB   LYS  89          2HB       LYS  89 -15.693 -11.335 -18.529
  691   2HB   LYS  89          3HB       LYS  89 -15.298 -10.999 -20.214
  692   1HG   LYS  89          2HG       LYS  89 -17.648 -10.607 -19.897
  693   2HG   LYS  89          3HG       LYS  89 -17.481 -12.060 -20.878
  694   1HD   LYS  89          2HD       LYS  89 -17.631 -13.249 -18.443
  695   2HD   LYS  89          3HD       LYS  89 -18.427 -11.731 -18.039
  696   1HE   LYS  89          2HE       LYS  89 -20.322 -12.507 -18.973
  697   2HE   LYS  89          3HE       LYS  89 -19.512 -12.510 -20.546
  698   1HZ   LYS  89          1HZ       LYS  89 -19.412 -14.779 -18.672
  699   2HZ   LYS  89          2HZ       LYS  89 -20.458 -14.656 -19.928
  700   3HZ   LYS  89          3HZ       LYS  89 -18.858 -14.727 -20.250
  701    HA   PRO  90           HA       PRO  90 -15.202 -15.204 -23.293
  702   1HB   PRO  90          2HB       PRO  90 -16.526 -17.609 -22.984
  703   2HB   PRO  90          3HB       PRO  90 -14.804 -17.365 -22.579
  704   1HG   PRO  90          2HG       PRO  90 -17.167 -17.541 -20.742
  705   2HG   PRO  90          3HG       PRO  90 -15.471 -18.039 -20.464
  706   1HD   PRO  90          2HD       PRO  90 -16.713 -15.642 -19.593
  707   2HD   PRO  90          3HD       PRO  90 -14.951 -15.972 -19.591
  708    H    MET  91           H        MET  91 -17.008 -16.139 -24.760
  709    HA   MET  91           HA       MET  91 -19.520 -14.632 -24.257
  710   1HB   MET  91          2HB       MET  91 -17.738 -13.725 -25.941
  711   2HB   MET  91          3HB       MET  91 -18.326 -14.985 -27.027
  712   1HG   MET  91          2HG       MET  91 -20.279 -13.146 -25.623
  713   2HG   MET  91          3HG       MET  91 -19.352 -12.536 -26.983
  714   1HE   MET  91          1HE       MET  91 -19.566 -13.204 -29.412
  715   2HE   MET  91          2HE       MET  91 -21.245 -13.404 -29.967
  716   3HE   MET  91          3HE       MET  91 -20.820 -12.052 -28.891
  717    H    GLU  92           H        GLU  92 -18.122 -17.232 -26.323
  718    HA   GLU  92           HA       GLU  92 -18.785 -19.292 -26.860
  719   1HB   GLU  92          2HB       GLU  92 -19.583 -19.522 -24.460
  720   2HB   GLU  92          3HB       GLU  92 -21.193 -19.018 -25.002
  721   1HG   GLU  92          2HG       GLU  92 -21.109 -21.431 -24.886
  722   2HG   GLU  92          3HG       GLU  92 -21.272 -20.934 -26.572
  723    H    THR  93           H        THR  93 -20.077 -20.125 -28.627
  724    HA   THR  93           HA       THR  93 -22.508 -18.693 -29.354
  725    HB   THR  93           HB       THR  93 -20.014 -18.543 -31.099
  726    HG1  THR  93          1HG       THR  93 -20.750 -16.866 -29.349
  727   1HG2  THR  93          1HG       THR  93 -22.679 -18.669 -32.102
  728   2HG2  THR  93          2HG       THR  93 -22.234 -16.969 -32.143
  729   3HG2  THR  93          3HG       THR  93 -21.215 -18.175 -32.948
  730    H    LEU  94           H        LEU  94 -23.736 -19.992 -30.776
  731    HA   LEU  94           HA       LEU  94 -23.194 -22.823 -30.977
  732   1HB   LEU  94          2HB       LEU  94 -25.446 -21.200 -31.246
  733   2HB   LEU  94          3HB       LEU  94 -25.018 -21.464 -32.914
  734    HG   LEU  94           HG       LEU  94 -26.603 -23.060 -32.505
  735   1HD1  LEU  94          1HD       LEU  94 -24.728 -24.220 -33.546
  736   2HD1  LEU  94          2HD       LEU  94 -24.038 -24.604 -31.964
  737   3HD1  LEU  94          3HD       LEU  94 -25.592 -25.312 -32.445
  738   1HD2  LEU  94          1HD       LEU  94 -25.445 -24.228 -30.001
  739   2HD2  LEU  94          2HD       LEU  94 -26.366 -22.715 -29.897
  740   3HD2  LEU  94          3HD       LEU  94 -27.122 -24.159 -30.581
  741    HHA  HEM  95          MHG       HEM  95  12.269   0.481   8.692
  742    HHB  HEM  95          MHD       HEM  95   5.893   0.361   9.354
  743    HHC  HEM  95          MHA       HEM  95   5.302  -0.498   2.990
  744    HHD  HEM  95          MHB       HEM  95  11.615   0.463   2.299
  745   1HMA  HEM  95          1HM       HEM  95   8.357   0.133  12.270
  746   2HMA  HEM  95          2HM       HEM  95   7.254   1.297  11.516
  747   3HMA  HEM  95          3HM       HEM  95   6.943  -0.444  11.382
  748   1HAA  HEM  95          1HP       HEM  95  10.523   0.347  12.026
  749   2HAA  HEM  95          2HP       HEM  95  11.639   1.007  10.845
  750   1HBA  HEM  95          3HP       HEM  95  11.673  -1.548   9.979
  751   2HBA  HEM  95          4HP       HEM  95  11.187  -1.861  11.643
  752   1HMB  HEM  95          1HM       HEM  95   3.897  -0.436   8.770
  753   2HMB  HEM  95          2HM       HEM  95   3.494   1.217   8.252
  754   3HMB  HEM  95          3HM       HEM  95   2.649  -0.203   7.540
  755    HAB  HEM  95          AHT       HEM  95   3.247  -0.105   3.804
  756   1HBB  HEM  95          CHV       HEM  95   2.683  -2.249   5.512
  757   2HBB  HEM  95          THV       HEM  95   1.369  -1.252   4.698
  758   1HMC  HEM  95          1HM       HEM  95   7.056  -0.390  -0.351
  759   2HMC  HEM  95          2HM       HEM  95   6.640  -1.768   0.691
  760   3HMC  HEM  95          3HM       HEM  95   5.729  -0.244   0.803
  761    HAC  HEM  95          AHT       HEM  95  10.804  -0.357   0.283
  762   1HBC  HEM  95          THV       HEM  95  10.128   0.975  -1.583
  763   2HBC  HEM  95          CHV       HEM  95   8.490   1.335  -0.771
  764   1HMD  HEM  95          1HM       HEM  95  14.836   1.295   4.089
  765   2HMD  HEM  95          2HM       HEM  95  14.121  -0.034   3.155
  766   3HMD  HEM  95          3HM       HEM  95  13.564   1.632   2.908
  767   1HAD  HEM  95          1HP       HEM  95  14.058   1.404   7.791
  768   2HAD  HEM  95          2HP       HEM  95  14.831   1.769   6.277
  769   1HBD  HEM  95          3HP       HEM  95  15.268  -0.470   8.053
  770   2HBD  HEM  95          4HP       HEM  95  16.209   0.035   6.647
  Start of MODEL   19
    1   1H    ASP   1           H1       ASP   1 -21.625   5.350  -1.516
    2   2H    ASP   1           H2       ASP   1 -22.668   5.585  -0.271
    3   3H    ASP   1           H3       ASP   1 -21.297   6.477  -0.324
    4    HA   ASP   1           HA       ASP   1 -19.998   4.409  -0.050
    5   1HB   ASP   1          2HB       ASP   1 -21.210   3.995   2.379
    6   2HB   ASP   1          3HB       ASP   1 -20.033   5.264   2.028
    7    H    LYS   2           H        LYS   2 -20.129   2.254  -0.763
    8    HA   LYS   2           HA       LYS   2 -22.605   0.827  -0.350
    9   1HB   LYS   2          2HB       LYS   2 -22.877   0.254  -2.737
   10   2HB   LYS   2          3HB       LYS   2 -23.211   1.951  -2.436
   11   1HG   LYS   2          2HG       LYS   2 -20.429   1.188  -3.337
   12   2HG   LYS   2          3HG       LYS   2 -21.737   1.104  -4.510
   13   1HD   LYS   2          2HD       LYS   2 -22.183   3.407  -4.427
   14   2HD   LYS   2          3HD       LYS   2 -21.331   3.619  -2.884
   15   1HE   LYS   2          2HE       LYS   2 -19.187   3.016  -3.984
   16   2HE   LYS   2          3HE       LYS   2 -20.021   2.867  -5.533
   17   1HZ   LYS   2          1HZ       LYS   2 -18.898   5.009  -5.191
   18   2HZ   LYS   2          2HZ       LYS   2 -20.503   5.184  -5.490
   19   3HZ   LYS   2          3HZ       LYS   2 -19.918   5.369  -3.961
   20    H    ASP   3           H        ASP   3 -22.298  -1.437  -1.069
   21    HA   ASP   3           HA       ASP   3 -21.201  -3.363  -0.919
   22   1HB   ASP   3          2HB       ASP   3 -18.947  -2.162  -2.521
   23   2HB   ASP   3          3HB       ASP   3 -19.676  -3.770  -2.629
   24    H    VAL   4           H        VAL   4 -18.319  -3.860  -0.978
   25    HA   VAL   4           HA       VAL   4 -17.670  -3.213   1.834
   26    HB   VAL   4           HB       VAL   4 -16.075  -4.924  -0.087
   27   1HG1  VAL   4          1HG       VAL   4 -16.330  -5.417   2.868
   28   2HG1  VAL   4          2HG       VAL   4 -14.960  -5.712   1.781
   29   3HG1  VAL   4          3HG       VAL   4 -15.304  -4.073   2.359
   30   1HG2  VAL   4          1HG       VAL   4 -18.247  -5.952  -0.135
   31   2HG2  VAL   4          2HG       VAL   4 -17.260  -6.877   0.995
   32   3HG2  VAL   4          3HG       VAL   4 -18.462  -5.724   1.615
   33    H    LYS   5           H        LYS   5 -14.861  -3.546   0.304
   34    HA   LYS   5           HA       LYS   5 -14.456  -0.741  -0.609
   35   1HB   LYS   5          2HB       LYS   5 -12.782  -2.338   1.362
   36   2HB   LYS   5          3HB       LYS   5 -12.311  -0.790   0.650
   37   1HG   LYS   5          2HG       LYS   5 -14.841  -0.940   2.321
   38   2HG   LYS   5          3HG       LYS   5 -13.271  -1.012   3.094
   39   1HD   LYS   5          2HD       LYS   5 -13.683   1.259   3.156
   40   2HD   LYS   5          3HD       LYS   5 -12.662   1.109   1.739
   41   1HE   LYS   5          2HE       LYS   5 -14.323   2.519   0.988
   42   2HE   LYS   5          3HE       LYS   5 -14.857   0.945   0.373
   43   1HZ   LYS   5          1HZ       LYS   5 -15.835   2.194   2.857
   44   2HZ   LYS   5          2HZ       LYS   5 -16.641   2.175   1.419
   45   3HZ   LYS   5          3HZ       LYS   5 -16.361   0.762   2.196
   46    H    TYR   6           H        TYR   6 -14.669  -2.102  -2.769
   47    HA   TYR   6           HA       TYR   6 -12.209  -3.765  -3.212
   48   1HB   TYR   6          2HB       TYR   6 -15.033  -3.987  -4.305
   49   2HB   TYR   6          3HB       TYR   6 -13.643  -4.623  -5.162
   50    HD1  TYR   6           HD1      TYR   6 -14.232  -4.870  -1.449
   51    HD2  TYR   6           HD2      TYR   6 -14.023  -6.889  -5.241
   52    HE1  TYR   6           HE1      TYR   6 -14.574  -7.036  -0.308
   53    HE2  TYR   6           HE2      TYR   6 -14.356  -9.066  -4.099
   54    HH   TYR   6           HH       TYR   6 -14.418  -9.365  -0.609
   55    H    TYR   7           H        TYR   7 -10.818  -2.039  -3.971
   56    HA   TYR   7           HA       TYR   7 -11.892  -0.124  -5.859
   57   1HB   TYR   7          2HB       TYR   7  -9.244  -0.684  -4.513
   58   2HB   TYR   7          3HB       TYR   7  -9.540   0.697  -5.491
   59    HD1  TYR   7           HD1      TYR   7  -9.403  -0.355  -2.177
   60    HD2  TYR   7           HD2      TYR   7 -11.826   2.047  -4.807
   61    HE1  TYR   7           HE1      TYR   7 -10.130   1.007  -0.243
   62    HE2  TYR   7           HE2      TYR   7 -12.633   3.365  -2.865
   63    HH   TYR   7           HH       TYR   7 -11.134   3.100   0.311
   64    H    THR   8           H        THR   8 -11.238   0.004  -8.039
   65    HA   THR   8           HA       THR   8 -10.333  -2.531  -9.194
   66    HB   THR   8           HB       THR   8 -10.736  -1.142 -11.338
   67    HG1  THR   8          1HG       THR   8 -11.915   0.753 -10.966
   68   1HG2  THR   8          1HG       THR   8 -12.411  -2.698 -10.647
   69   2HG2  THR   8          2HG       THR   8 -12.924  -1.672  -9.284
   70   3HG2  THR   8          3HG       THR   8 -13.262  -1.178 -10.953
   71    H    LEU   9           H        LEU   9  -8.310  -2.846 -10.336
   72    HA   LEU   9           HA       LEU   9  -6.102  -1.381  -9.577
   73   1HB   LEU   9          2HB       LEU   9  -6.494  -2.640 -12.333
   74   2HB   LEU   9          3HB       LEU   9  -4.978  -2.036 -11.699
   75    HG   LEU   9           HG       LEU   9  -4.714  -4.240 -11.328
   76   1HD1  LEU   9          1HD       LEU   9  -4.786  -4.607  -8.929
   77   2HD1  LEU   9          2HD       LEU   9  -4.378  -2.919  -9.248
   78   3HD1  LEU   9          3HD       LEU   9  -6.022  -3.347  -8.721
   79   1HD2  LEU   9          1HD       LEU   9  -6.385  -5.831 -10.707
   80   2HD2  LEU   9          2HD       LEU   9  -7.577  -4.572 -10.361
   81   3HD2  LEU   9          3HD       LEU   9  -7.022  -4.855 -12.023
   82    H    GLU  10           H        GLU  10  -8.240  -0.487 -12.312
   83    HA   GLU  10           HA       GLU  10  -6.572   1.597 -13.288
   84   1HB   GLU  10          2HB       GLU  10  -8.569   2.380 -14.436
   85   2HB   GLU  10          3HB       GLU  10  -8.497   0.612 -14.485
   86   1HG   GLU  10          2HG       GLU  10 -10.022   0.638 -12.411
   87   2HG   GLU  10          3HG       GLU  10 -10.268   2.357 -12.720
   88    H    GLU  11           H        GLU  11  -8.847   1.487 -10.556
   89    HA   GLU  11           HA       GLU  11  -8.784   4.361 -10.093
   90   1HB   GLU  11          2HB       GLU  11 -10.740   3.026  -9.488
   91   2HB   GLU  11          3HB       GLU  11  -9.768   1.979  -8.456
   92   1HG   GLU  11          2HG       GLU  11 -10.993   3.534  -7.084
   93   2HG   GLU  11          3HG       GLU  11  -9.278   3.870  -6.945
   94    H    ILE  12           H        ILE  12  -7.181   1.443  -8.707
   95    HA   ILE  12           HA       ILE  12  -5.883   2.845  -6.599
   96    HB   ILE  12           HB       ILE  12  -5.405   0.220  -8.058
   97   1HG1  ILE  12          2HG       ILE  12  -6.242   0.765  -5.183
   98   2HG1  ILE  12          3HG       ILE  12  -7.380   0.728  -6.528
   99   1HG2  ILE  12          1HG       ILE  12  -3.919  -0.373  -6.055
  100   2HG2  ILE  12          2HG       ILE  12  -3.252   0.641  -7.312
  101   3HG2  ILE  12          3HG       ILE  12  -3.813   1.370  -5.753
  102   1HD1  ILE  12          1HD       ILE  12  -6.631  -1.584  -7.090
  103   2HD1  ILE  12          2HD       ILE  12  -5.636  -1.581  -5.616
  104   3HD1  ILE  12          3HD       ILE  12  -7.393  -1.399  -5.504
  105    H    LYS  13           H        LYS  13  -4.980   2.201  -9.954
  106    HA   LYS  13           HA       LYS  13  -2.318   3.332  -9.729
  107   1HB   LYS  13          2HB       LYS  13  -4.115   2.619 -12.070
  108   2HB   LYS  13          3HB       LYS  13  -2.445   3.185 -12.266
  109   1HG   LYS  13          2HG       LYS  13  -1.530   1.289 -11.135
  110   2HG   LYS  13          3HG       LYS  13  -3.092   0.810 -10.474
  111   1HD   LYS  13          2HD       LYS  13  -3.294  -0.624 -12.160
  112   2HD   LYS  13          3HD       LYS  13  -3.580   0.756 -13.208
  113   1HE   LYS  13          2HE       LYS  13  -1.869  -0.296 -14.334
  114   2HE   LYS  13          3HE       LYS  13  -0.942   0.854 -13.356
  115   1HZ   LYS  13          1HZ       LYS  13  -1.473  -1.938 -12.542
  116   2HZ   LYS  13          2HZ       LYS  13  -0.117  -1.481 -13.342
  117   3HZ   LYS  13          3HZ       LYS  13  -0.425  -0.889 -11.832
  118    H    LYS  14           H        LYS  14  -5.424   4.780  -9.732
  119    HA   LYS  14           HA       LYS  14  -4.646   7.262 -11.021
  120   1HB   LYS  14          2HB       LYS  14  -7.093   6.084 -10.199
  121   2HB   LYS  14          3HB       LYS  14  -6.867   7.407  -9.070
  122   1HG   LYS  14          2HG       LYS  14  -7.930   8.533 -10.774
  123   2HG   LYS  14          3HG       LYS  14  -6.275   8.707 -11.376
  124   1HD   LYS  14          2HD       LYS  14  -6.937   6.237 -12.413
  125   2HD   LYS  14          3HD       LYS  14  -8.539   6.991 -12.330
  126   1HE   LYS  14          2HE       LYS  14  -7.367   9.015 -13.516
  127   2HE   LYS  14          3HE       LYS  14  -6.053   7.868 -13.833
  128   1HZ   LYS  14          1HZ       LYS  14  -8.859   7.622 -14.709
  129   2HZ   LYS  14          2HZ       LYS  14  -7.543   7.861 -15.671
  130   3HZ   LYS  14          3HZ       LYS  14  -7.744   6.426 -14.883
  131    H    HIS  15           H        HIS  15  -3.690   5.853  -8.063
  132    HA   HIS  15           HA       HIS  15  -3.681   8.394  -6.584
  133   1HB   HIS  15          2HB       HIS  15  -2.973   5.520  -5.869
  134   2HB   HIS  15          3HB       HIS  15  -2.788   6.883  -4.770
  135    HD1  HIS  15           HD1      HIS  15  -4.819   7.405  -3.319
  136    HD2  HIS  15           HD2      HIS  15  -5.672   5.404  -6.872
  137    HE1  HIS  15           HE1      HIS  15  -7.388   7.210  -3.441
  138    H    ASN  16           H        ASN  16  -1.042   6.982  -5.385
  139    HA   ASN  16           HA       ASN  16   1.167   7.002  -5.657
  140   1HB   ASN  16          2HB       ASN  16   1.040   7.926  -8.487
  141   2HB   ASN  16          3HB       ASN  16   2.163   6.807  -7.704
  142   1HD2  ASN  16          1HD       ASN  16  -0.377   6.993  -9.866
  143   2HD2  ASN  16          2HD       ASN  16  -0.902   5.341  -9.821
  144    H    HIS  17           H        HIS  17  -0.540   9.452  -5.122
  145    HA   HIS  17           HA       HIS  17   1.398  11.598  -5.836
  146   1HB   HIS  17          2HB       HIS  17  -1.540  11.646  -5.084
  147   2HB   HIS  17          3HB       HIS  17  -0.555  13.093  -5.320
  148    HD1  HIS  17           HD1      HIS  17   0.412  13.397  -7.953
  149    HD2  HIS  17           HD2      HIS  17  -2.680  10.614  -7.242
  150    HE1  HIS  17           HE1      HIS  17  -0.707  12.931 -10.201
  151    H    SER  18           H        SER  18   1.673  13.227  -4.103
  152    HA   SER  18           HA       SER  18   2.161  12.022  -1.512
  153   1HB   SER  18          2HB       SER  18   3.551  13.755  -2.956
  154   2HB   SER  18          3HB       SER  18   2.516  14.953  -2.172
  155    HG   SER  18           HG       SER  18   4.420  13.186  -1.054
  156    H    LYS  19           H        LYS  19  -0.490  11.824  -1.756
  157    HA   LYS  19           HA       LYS  19  -1.622  13.548   0.257
  158   1HB   LYS  19          2HB       LYS  19  -3.351  14.549  -1.022
  159   2HB   LYS  19          3HB       LYS  19  -1.818  14.965  -1.791
  160   1HG   LYS  19          2HG       LYS  19  -2.268  12.978  -3.371
  161   2HG   LYS  19          3HG       LYS  19  -3.915  12.946  -2.710
  162   1HD   LYS  19          2HD       LYS  19  -4.246  15.293  -3.441
  163   2HD   LYS  19          3HD       LYS  19  -2.586  15.307  -4.092
  164   1HE   LYS  19          2HE       LYS  19  -3.283  13.199  -5.425
  165   2HE   LYS  19          3HE       LYS  19  -4.949  13.598  -4.984
  166   1HZ   LYS  19          1HZ       LYS  19  -4.638  15.731  -6.087
  167   2HZ   LYS  19          2HZ       LYS  19  -3.090  15.332  -6.491
  168   3HZ   LYS  19          3HZ       LYS  19  -4.345  14.488  -7.129
  169    H    SER  20           H        SER  20  -2.123  10.901  -2.138
  170    HA   SER  20           HA       SER  20  -3.648   9.425  -0.107
  171   1HB   SER  20          2HB       SER  20  -4.588  10.101  -2.921
  172   2HB   SER  20          3HB       SER  20  -5.184   8.717  -2.001
  173    HG   SER  20           HG       SER  20  -5.687  10.342  -0.314
  174    H    THR  21           H        THR  21  -1.023   8.914  -0.499
  175    HA   THR  21           HA       THR  21  -0.313   7.215  -2.644
  176    HB   THR  21           HB       THR  21   0.531   7.230   0.269
  177    HG1  THR  21          1HG       THR  21   1.105   8.874  -1.924
  178   1HG2  THR  21          1HG       THR  21   2.583   6.599  -1.757
  179   2HG2  THR  21          2HG       THR  21   2.229   5.873  -0.171
  180   3HG2  THR  21          3HG       THR  21   1.331   5.353  -1.599
  181    H    TRP  22           H        TRP  22  -1.915   5.656  -3.165
  182    HA   TRP  22           HA       TRP  22  -2.471   3.629  -1.079
  183   1HB   TRP  22          2HB       TRP  22  -3.483   4.065  -3.906
  184   2HB   TRP  22          3HB       TRP  22  -3.814   2.599  -2.998
  185    HD1  TRP  22           HD1      TRP  22  -4.020   5.224  -0.500
  186    HE1  TRP  22           HE1      TRP  22  -6.364   6.006  -0.098
  187    HE3  TRP  22           HE3      TRP  22  -6.163   2.851  -4.412
  188    HZ2  TRP  22           HZ2      TRP  22  -9.024   5.505  -1.324
  189    HZ3  TRP  22           HZ3      TRP  22  -8.611   2.908  -4.755
  190    HH2  TRP  22           HH2      TRP  22 -10.041   4.265  -3.248
  191    H    LEU  23           H        LEU  23  -2.269   1.355  -1.808
  192    HA   LEU  23           HA       LEU  23  -0.588   0.556  -3.948
  193   1HB   LEU  23          2HB       LEU  23   1.312  -0.322  -2.516
  194   2HB   LEU  23          3HB       LEU  23   1.252   1.392  -2.803
  195    HG   LEU  23           HG       LEU  23   0.062   1.553  -0.448
  196   1HD1  LEU  23          1HD       LEU  23  -0.167  -0.949  -0.229
  197   2HD1  LEU  23          2HD       LEU  23   1.605  -1.012  -0.191
  198   3HD1  LEU  23          3HD       LEU  23   0.714  -0.164   1.095
  199   1HD2  LEU  23          1HD       LEU  23   2.781   0.927   0.242
  200   2HD2  LEU  23          2HD       LEU  23   2.818   1.643  -1.361
  201   3HD2  LEU  23          3HD       LEU  23   2.046   2.522  -0.047
  202    H    ILE  24           H        ILE  24  -0.027  -1.904  -3.611
  203    HA   ILE  24           HA       ILE  24  -2.366  -3.137  -2.303
  204    HB   ILE  24           HB       ILE  24  -0.907  -4.011  -4.841
  205   1HG1  ILE  24          2HG       ILE  24  -3.762  -3.040  -4.637
  206   2HG1  ILE  24          3HG       ILE  24  -2.431  -1.921  -4.985
  207   1HG2  ILE  24          1HG       ILE  24  -3.468  -5.070  -3.545
  208   2HG2  ILE  24          2HG       ILE  24  -2.722  -5.676  -5.038
  209   3HG2  ILE  24          3HG       ILE  24  -1.891  -5.889  -3.497
  210   1HD1  ILE  24          1HD       ILE  24  -3.254  -4.272  -6.721
  211   2HD1  ILE  24          2HD       ILE  24  -3.398  -2.545  -7.082
  212   3HD1  ILE  24          3HD       ILE  24  -1.796  -3.292  -6.971
  213    H    LEU  25           H        LEU  25  -1.542  -4.123  -0.474
  214    HA   LEU  25           HA       LEU  25   1.011  -5.635  -0.735
  215   1HB   LEU  25          2HB       LEU  25  -0.072  -3.989   1.549
  216   2HB   LEU  25          3HB       LEU  25   1.077  -5.293   1.845
  217    HG   LEU  25           HG       LEU  25   1.593  -3.094  -0.170
  218   1HD1  LEU  25          1HD       LEU  25   2.577  -3.258   2.702
  219   2HD1  LEU  25          2HD       LEU  25   2.862  -1.942   1.544
  220   3HD1  LEU  25          3HD       LEU  25   1.222  -2.220   2.175
  221   1HD2  LEU  25          1HD       LEU  25   3.979  -3.780   0.296
  222   2HD2  LEU  25          2HD       LEU  25   3.333  -5.141   1.244
  223   3HD2  LEU  25          3HD       LEU  25   2.944  -4.981  -0.486
  224    H    HIS  26           H        HIS  26   0.182  -7.513  -1.322
  225    HA   HIS  26           HA       HIS  26  -0.686  -9.596  -1.054
  226   1HB   HIS  26          2HB       HIS  26  -1.512  -8.943   1.798
  227   2HB   HIS  26          3HB       HIS  26  -1.193 -10.504   1.085
  228    HD1  HIS  26           HD1      HIS  26   1.475 -11.153   0.839
  229    HD2  HIS  26           HD2      HIS  26   0.515  -7.520   2.752
  230    HE1  HIS  26           HE1      HIS  26   3.579 -10.378   2.061
  231    H    HIS  27           H        HIS  27  -2.332  -8.647  -2.641
  232    HA   HIS  27           HA       HIS  27  -4.382  -8.260  -3.404
  233   1HB   HIS  27          2HB       HIS  27  -5.947 -10.031  -3.086
  234   2HB   HIS  27          3HB       HIS  27  -4.336 -10.726  -3.106
  235    HD1  HIS  27           HD1      HIS  27  -3.416 -11.596  -0.622
  236    HD2  HIS  27           HD2      HIS  27  -7.444 -10.433  -0.929
  237    HE1  HIS  27           HE1      HIS  27  -4.599 -12.506   1.457
  238    H    LYS  28           H        LYS  28  -3.780  -6.476  -1.247
  239    HA   LYS  28           HA       LYS  28  -6.490  -5.814  -0.326
  240   1HB   LYS  28          2HB       LYS  28  -4.103  -6.496   1.335
  241   2HB   LYS  28          3HB       LYS  28  -5.086  -5.122   1.861
  242   1HG   LYS  28          2HG       LYS  28  -6.765  -6.401   2.583
  243   2HG   LYS  28          3HG       LYS  28  -6.743  -7.467   1.169
  244   1HD   LYS  28          2HD       LYS  28  -5.062  -8.848   2.048
  245   2HD   LYS  28          3HD       LYS  28  -4.530  -7.638   3.233
  246   1HE   LYS  28          2HE       LYS  28  -6.760  -7.860   4.362
  247   2HE   LYS  28          3HE       LYS  28  -7.156  -9.169   3.229
  248   1HZ   LYS  28          1HZ       LYS  28  -6.258 -10.073   5.245
  249   2HZ   LYS  28          2HZ       LYS  28  -5.189 -10.328   4.019
  250   3HZ   LYS  28          3HZ       LYS  28  -4.889  -9.141   5.115
  251    H    VAL  29           H        VAL  29  -6.596  -3.389   0.203
  252    HA   VAL  29           HA       VAL  29  -4.559  -1.916  -1.298
  253    HB   VAL  29           HB       VAL  29  -7.574  -1.794  -0.938
  254   1HG1  VAL  29          1HG       VAL  29  -6.983   0.325  -2.605
  255   2HG1  VAL  29          2HG       VAL  29  -7.513   0.391  -0.929
  256   3HG1  VAL  29          3HG       VAL  29  -5.776   0.493  -1.313
  257   1HG2  VAL  29          1HG       VAL  29  -5.792  -1.738  -3.366
  258   2HG2  VAL  29          2HG       VAL  29  -6.619  -3.184  -2.732
  259   3HG2  VAL  29          3HG       VAL  29  -7.577  -1.826  -3.333
  260    H    TYR  30           H        TYR  30  -3.424  -0.434  -0.107
  261    HA   TYR  30           HA       TYR  30  -4.330   0.151   2.615
  262   1HB   TYR  30          2HB       TYR  30  -1.633  -0.264   1.302
  263   2HB   TYR  30          3HB       TYR  30  -1.850   0.379   2.898
  264    HD1  TYR  30           HD1      TYR  30  -2.694  -2.589   0.793
  265    HD2  TYR  30           HD2      TYR  30  -1.906  -1.136   4.772
  266    HE1  TYR  30           HE1      TYR  30  -2.695  -4.865   1.609
  267    HE2  TYR  30           HE2      TYR  30  -1.851  -3.478   5.598
  268    HH   TYR  30           HH       TYR  30  -1.863  -6.215   3.317
  269    H    ASP  31           H        ASP  31  -3.578   2.275   3.359
  270    HA   ASP  31           HA       ASP  31  -2.970   4.215   1.198
  271   1HB   ASP  31          2HB       ASP  31  -5.392   4.251   1.854
  272   2HB   ASP  31          3HB       ASP  31  -4.910   4.718   3.486
  273    H    LEU  32           H        LEU  32  -0.897   4.510   1.680
  274    HA   LEU  32           HA       LEU  32  -0.120   4.816   4.543
  275   1HB   LEU  32          2HB       LEU  32   1.815   4.613   2.239
  276   2HB   LEU  32          3HB       LEU  32   2.067   4.276   3.948
  277    HG   LEU  32           HG       LEU  32   0.594   2.576   1.906
  278   1HD1  LEU  32          1HD       LEU  32   2.921   2.004   3.775
  279   2HD1  LEU  32          2HD       LEU  32   2.313   0.955   2.482
  280   3HD1  LEU  32          3HD       LEU  32   3.079   2.501   2.071
  281   1HD2  LEU  32          1HD       LEU  32  -0.732   2.358   3.915
  282   2HD2  LEU  32          2HD       LEU  32   0.273   0.913   3.753
  283   3HD2  LEU  32          3HD       LEU  32   0.717   2.174   4.928
  284    H    THR  33           H        THR  33  -1.450   6.824   2.455
  285    HA   THR  33           HA       THR  33   0.426   8.825   1.883
  286    HB   THR  33           HB       THR  33  -2.188   8.630   1.419
  287    HG1  THR  33          1HG       THR  33  -0.545  10.937   1.433
  288   1HG2  THR  33          1HG       THR  33  -2.803   9.434   3.645
  289   2HG2  THR  33          2HG       THR  33  -1.893  10.943   3.283
  290   3HG2  THR  33          3HG       THR  33  -3.341  10.492   2.345
  291    H    LYS  34           H        LYS  34  -1.413   8.491   4.929
  292    HA   LYS  34           HA       LYS  34  -0.052  10.899   5.841
  293   1HB   LYS  34          2HB       LYS  34  -2.475   9.660   6.525
  294   2HB   LYS  34          3HB       LYS  34  -1.452   9.285   7.911
  295   1HG   LYS  34          2HG       LYS  34  -0.933  12.017   7.242
  296   2HG   LYS  34          3HG       LYS  34  -2.664  11.808   7.056
  297   1HD   LYS  34          2HD       LYS  34  -2.877  11.058   9.369
  298   2HD   LYS  34          3HD       LYS  34  -1.127  10.855   9.537
  299   1HE   LYS  34          2HE       LYS  34  -2.515  13.533   9.140
  300   2HE   LYS  34          3HE       LYS  34  -1.982  12.871  10.694
  301   1HZ   LYS  34          1HZ       LYS  34  -0.314  14.326   9.878
  302   2HZ   LYS  34          2HZ       LYS  34   0.286  12.791   9.794
  303   3HZ   LYS  34          3HZ       LYS  34  -0.230  13.558   8.428
  304    H    PHE  35           H        PHE  35   0.978   7.829   5.444
  305    HA   PHE  35           HA       PHE  35   2.681   7.746   7.824
  306   1HB   PHE  35          2HB       PHE  35   1.023   5.954   7.284
  307   2HB   PHE  35          3HB       PHE  35   1.904   5.620   5.813
  308    HD1  PHE  35          1HD       PHE  35   3.128   6.313   9.339
  309    HD2  PHE  35          2HD       PHE  35   2.965   3.560   6.009
  310    HE1  PHE  35          1HE       PHE  35   4.757   4.862  10.462
  311    HE2  PHE  35          2HE       PHE  35   4.580   2.116   7.132
  312    HZ   PHE  35           HZ       PHE  35   5.566   2.822   9.350
  313    H    LEU  36           H        LEU  36   2.667   8.477   4.486
  314    HA   LEU  36           HA       LEU  36   5.068   7.499   3.489
  315   1HB   LEU  36          2HB       LEU  36   3.547  10.181   3.260
  316   2HB   LEU  36          3HB       LEU  36   5.086  10.012   2.448
  317    HG   LEU  36           HG       LEU  36   2.519   8.538   1.854
  318   1HD1  LEU  36          1HD       LEU  36   3.400   9.631  -0.466
  319   2HD1  LEU  36          2HD       LEU  36   2.376  10.515   0.692
  320   3HD1  LEU  36          3HD       LEU  36   4.140  10.767   0.642
  321   1HD2  LEU  36          1HD       LEU  36   3.927   7.506  -0.001
  322   2HD2  LEU  36          2HD       LEU  36   5.332   8.019   0.946
  323   3HD2  LEU  36          3HD       LEU  36   4.119   6.902   1.656
  324    H    GLU  37           H        GLU  37   5.137  10.875   4.670
  325    HA   GLU  37           HA       GLU  37   7.957  10.590   5.211
  326   1HB   GLU  37          2HB       GLU  37   5.940  12.733   5.967
  327   2HB   GLU  37          3HB       GLU  37   7.686  12.871   6.201
  328   1HG   GLU  37          2HG       GLU  37   7.110  12.085   3.439
  329   2HG   GLU  37          3HG       GLU  37   6.170  13.506   3.868
  330    H    GLU  38           H        GLU  38   5.320   9.404   6.923
  331    HA   GLU  38           HA       GLU  38   6.583   9.697   9.584
  332   1HB   GLU  38          2HB       GLU  38   3.808   9.315   8.547
  333   2HB   GLU  38          3HB       GLU  38   4.195   8.449  10.030
  334   1HG   GLU  38          2HG       GLU  38   5.172  10.901  10.686
  335   2HG   GLU  38          3HG       GLU  38   3.956  11.394   9.505
  336    H    HIS  39           HN       HIS  39   6.933   7.582   7.011
  337    HA   HIS  39           HA       HIS  39   6.704   5.172   8.597
  338   1HB   HIS  39          2HB       HIS  39   5.869   4.866   6.440
  339   2HB   HIS  39          3HB       HIS  39   7.183   5.760   5.703
  340    HD1  HIS  39           HND      HIS  39   8.864   4.455   4.587
  341    HD2  HIS  39           HD       HIS  39   6.751   2.160   7.352
  342    HE1  HIS  39           HE       HIS  39   9.595   2.085   4.198
  343    HA   PRO  40           HA       PRO  40  11.028   5.598   9.594
  344   1HB   PRO  40          2HB       PRO  40  11.393   3.269  10.990
  345   2HB   PRO  40          3HB       PRO  40  10.496   4.671  11.639
  346   1HG   PRO  40          2HG       PRO  40   9.374   2.162  10.410
  347   2HG   PRO  40          3HG       PRO  40   8.799   3.053  11.853
  348   1HD   PRO  40          2HD       PRO  40   7.731   3.277   9.305
  349   2HD   PRO  40          3HD       PRO  40   7.630   4.572  10.541
  350    H    GLY  41           H        GLY  41  12.018   5.565   7.651
  351   1HA   GLY  41          2HA       GLY  41  13.751   3.822   6.735
  352   2HA   GLY  41          3HA       GLY  41  12.279   3.044   6.119
  353    H    GLY  42           H        GLY  42  10.844   4.401   4.710
  354   1HA   GLY  42          2HA       GLY  42  11.955   6.863   3.637
  355   2HA   GLY  42          3HA       GLY  42  12.055   5.526   2.495
  356    H    GLU  43           H        GLU  43  10.300   8.137   2.830
  357    HA   GLU  43           HA       GLU  43   7.611   7.138   2.642
  358   1HB   GLU  43          2HB       GLU  43   7.093   9.379   2.491
  359   2HB   GLU  43          3HB       GLU  43   8.566   9.394   3.434
  360   1HG   GLU  43          2HG       GLU  43   8.878  11.181   2.083
  361   2HG   GLU  43          3HG       GLU  43   9.754   9.978   1.182
  362    H    GLU  44           H        GLU  44  10.032   8.153   0.606
  363    HA   GLU  44           HA       GLU  44   8.538   8.308  -1.925
  364   1HB   GLU  44          2HB       GLU  44  10.790   9.388  -1.762
  365   2HB   GLU  44          3HB       GLU  44  11.530   7.795  -1.752
  366   1HG   GLU  44          2HG       GLU  44  11.680   7.921  -3.991
  367   2HG   GLU  44          3HG       GLU  44   9.961   7.668  -4.075
  368    H    VAL  45           H        VAL  45  10.183   5.659  -0.247
  369    HA   VAL  45           HA       VAL  45   9.915   3.873  -2.548
  370    HB   VAL  45           HB       VAL  45  10.099   2.077  -0.805
  371   1HG1  VAL  45          1HG       VAL  45  12.329   4.054  -1.317
  372   2HG1  VAL  45          2HG       VAL  45  12.587   2.486  -0.511
  373   3HG1  VAL  45          3HG       VAL  45  11.975   2.539  -2.173
  374   1HG2  VAL  45          1HG       VAL  45  10.730   2.475   1.375
  375   2HG2  VAL  45          2HG       VAL  45  11.222   4.151   1.033
  376   3HG2  VAL  45          3HG       VAL  45   9.498   3.697   1.082
  377    H    LEU  46           H        LEU  46   7.664   4.933   0.365
  378    HA   LEU  46           HA       LEU  46   5.889   2.882  -0.567
  379   1HB   LEU  46          2HB       LEU  46   5.242   5.559   0.564
  380   2HB   LEU  46          3HB       LEU  46   4.263   4.082   0.703
  381    HG   LEU  46           HG       LEU  46   6.792   4.946   2.115
  382   1HD1  LEU  46          1HD       LEU  46   4.630   3.400   3.453
  383   2HD1  LEU  46          2HD       LEU  46   5.630   4.721   4.050
  384   3HD1  LEU  46          3HD       LEU  46   4.273   5.074   2.971
  385   1HD2  LEU  46          1HD       LEU  46   7.498   2.734   1.421
  386   2HD2  LEU  46          2HD       LEU  46   7.008   2.649   3.096
  387   3HD2  LEU  46          3HD       LEU  46   5.913   2.046   1.832
  388    H    ARG  47           H        ARG  47   6.771   5.948  -2.110
  389    HA   ARG  47           HA       ARG  47   4.407   5.991  -3.822
  390   1HB   ARG  47          2HB       ARG  47   5.807   8.040  -3.150
  391   2HB   ARG  47          3HB       ARG  47   7.022   7.447  -4.286
  392   1HG   ARG  47          2HG       ARG  47   4.838   7.412  -5.929
  393   2HG   ARG  47          3HG       ARG  47   4.301   8.632  -4.801
  394   1HD   ARG  47          2HD       ARG  47   5.621  10.184  -5.755
  395   2HD   ARG  47          3HD       ARG  47   7.065   9.198  -5.581
  396    HE   ARG  47           HE       ARG  47   5.376   9.530  -7.921
  397   1HH1  ARG  47          2HH       ARG  47   7.779   7.450  -6.390
  398   2HH1  ARG  47          1HH       ARG  47   8.213   6.587  -7.821
  399   1HH2  ARG  47          2HH       ARG  47   5.997   8.457  -9.897
  400   2HH2  ARG  47          1HH       ARG  47   7.169   7.188  -9.865
  401    H    GLU  48           H        GLU  48   7.674   4.481  -4.010
  402    HA   GLU  48           HA       GLU  48   7.641   4.459  -6.910
  403   1HB   GLU  48          2HB       GLU  48   9.354   3.285  -4.763
  404   2HB   GLU  48          3HB       GLU  48   9.237   2.322  -6.219
  405   1HG   GLU  48          2HG       GLU  48   9.667   4.710  -7.410
  406   2HG   GLU  48          3HG       GLU  48  10.454   5.035  -5.864
  407    H    GLN  49           H        GLN  49   6.156   2.444  -4.546
  408    HA   GLN  49           HA       GLN  49   5.377   0.462  -6.649
  409   1HB   GLN  49          2HB       GLN  49   5.371   0.262  -3.632
  410   2HB   GLN  49          3HB       GLN  49   5.120  -1.058  -4.809
  411   1HG   GLN  49          2HG       GLN  49   7.711   0.489  -4.300
  412   2HG   GLN  49          3HG       GLN  49   7.340  -1.148  -3.794
  413   1HE2  GLN  49          1HE       GLN  49   9.601  -0.292  -5.532
  414   2HE2  GLN  49          2HE       GLN  49   9.328  -1.205  -7.012
  415    H    ALA  50           H        ALA  50   4.281   3.219  -5.431
  416    HA   ALA  50           HA       ALA  50   1.763   2.634  -4.289
  417   1HB   ALA  50          1HB       ALA  50   2.699   5.044  -5.858
  418   2HB   ALA  50          2HB       ALA  50   1.124   4.921  -5.028
  419   3HB   ALA  50          3HB       ALA  50   2.617   4.837  -4.082
  420    H    GLY  51           H        GLY  51  -0.326   2.715  -5.199
  421   1HA   GLY  51          2HA       GLY  51  -1.926   2.014  -6.663
  422   2HA   GLY  51          3HA       GLY  51  -0.954   2.765  -7.927
  423    H    GLY  52           H        GLY  52   0.707   0.214  -6.160
  424   1HA   GLY  52          2HA       GLY  52   0.220  -1.785  -8.253
  425   2HA   GLY  52          3HA       GLY  52   1.819  -1.013  -8.102
  426    H    ASP  53           H        ASP  53   2.121  -3.543  -7.727
  427    HA   ASP  53           HA       ASP  53   1.382  -4.512  -5.137
  428   1HB   ASP  53          2HB       ASP  53   2.899  -6.454  -6.246
  429   2HB   ASP  53          3HB       ASP  53   1.174  -6.230  -6.485
  430    H    ALA  54           H        ALA  54   2.502  -3.159  -3.731
  431    HA   ALA  54           HA       ALA  54   5.425  -2.992  -3.920
  432   1HB   ALA  54          1HB       ALA  54   3.775  -2.308  -1.464
  433   2HB   ALA  54          2HB       ALA  54   5.317  -1.617  -2.017
  434   3HB   ALA  54          3HB       ALA  54   3.806  -1.237  -2.870
  435    H    THR  55           H        THR  55   3.389  -5.505  -3.069
  436    HA   THR  55           HA       THR  55   4.333  -6.443  -0.673
  437    HB   THR  55           HB       THR  55   3.602  -8.287  -2.987
  438    HG1  THR  55          1HG       THR  55   1.953  -6.983  -3.267
  439   1HG2  THR  55          1HG       THR  55   3.010  -8.094  -0.024
  440   2HG2  THR  55          2HG       THR  55   2.209  -9.261  -1.104
  441   3HG2  THR  55          3HG       THR  55   3.973  -9.350  -0.850
  442    H    GLU  56           H        GLU  56   5.874  -6.724  -3.873
  443    HA   GLU  56           HA       GLU  56   7.806  -8.684  -3.157
  444   1HB   GLU  56          2HB       GLU  56   9.068  -7.823  -5.056
  445   2HB   GLU  56          3HB       GLU  56   7.353  -7.968  -5.454
  446   1HG   GLU  56          2HG       GLU  56   7.100  -5.483  -5.041
  447   2HG   GLU  56          3HG       GLU  56   8.840  -5.390  -4.756
  448    H    ASN  57           H        ASN  57   7.706  -5.150  -2.677
  449    HA   ASN  57           HA       ASN  57  10.433  -4.977  -1.689
  450   1HB   ASN  57          2HB       ASN  57   8.133  -3.118  -2.051
  451   2HB   ASN  57          3HB       ASN  57   9.033  -2.843  -0.566
  452   1HD2  ASN  57          1HD       ASN  57   9.328  -2.861  -4.148
  453   2HD2  ASN  57          2HD       ASN  57  10.875  -2.044  -4.104
  454    H    PHE  58           H        PHE  58   7.245  -4.836  -0.113
  455    HA   PHE  58           HA       PHE  58   8.131  -4.810   2.551
  456   1HB   PHE  58          2HB       PHE  58   5.853  -4.466   2.224
  457   2HB   PHE  58          3HB       PHE  58   5.668  -5.911   1.237
  458    HD1  PHE  58          1HD       PHE  58   5.454  -8.115   2.187
  459    HD2  PHE  58          2HD       PHE  58   5.808  -4.650   4.728
  460    HE1  PHE  58          1HE       PHE  58   4.806  -9.487   4.136
  461    HE2  PHE  58          2HE       PHE  58   5.108  -6.020   6.679
  462    HZ   PHE  58           HZ       PHE  58   4.640  -8.459   6.377
  463    H    GLU  59           H        GLU  59   7.834  -7.725   0.461
  464    HA   GLU  59           HA       GLU  59   8.536  -9.589   2.542
  465   1HB   GLU  59          2HB       GLU  59   8.196  -9.593  -0.453
  466   2HB   GLU  59          3HB       GLU  59   9.085 -10.919   0.267
  467   1HG   GLU  59          2HG       GLU  59   6.378 -10.098   1.373
  468   2HG   GLU  59          3HG       GLU  59   6.502 -11.156  -0.032
  469    H    ASP  60           H        ASP  60  10.434  -8.178  -0.219
  470    HA   ASP  60           HA       ASP  60  12.802  -9.607   0.368
  471   1HB   ASP  60          2HB       ASP  60  11.973  -7.737  -1.575
  472   2HB   ASP  60          3HB       ASP  60  13.270  -6.902  -0.752
  473    H    VAL  61           H        VAL  61  11.510  -6.621   1.660
  474    HA   VAL  61           HA       VAL  61  13.858  -5.741   3.082
  475    HB   VAL  61           HB       VAL  61  10.878  -5.182   3.351
  476   1HG1  VAL  61          1HG       VAL  61  13.172  -4.104   5.027
  477   2HG1  VAL  61          2HG       VAL  61  11.629  -3.243   4.844
  478   3HG1  VAL  61          3HG       VAL  61  11.660  -4.847   5.588
  479   1HG2  VAL  61          1HG       VAL  61  12.138  -4.238   1.377
  480   2HG2  VAL  61          2HG       VAL  61  11.494  -2.993   2.458
  481   3HG2  VAL  61          3HG       VAL  61  13.221  -3.418   2.508
  482    H    GLY  62           H        GLY  62  11.017  -7.846   4.010
  483   1HA   GLY  62          2HA       GLY  62  11.182  -9.648   5.496
  484   2HA   GLY  62          3HA       GLY  62  12.847  -9.176   5.901
  485    H    HIS  63           HN       HIS  63   9.853  -7.280   5.839
  486    HA   HIS  63           HA       HIS  63  10.483  -5.548   7.781
  487   1HB   HIS  63          2HB       HIS  63   7.916  -6.538   6.583
  488   2HB   HIS  63          3HB       HIS  63   7.737  -5.578   8.027
  489    HD1  HIS  63           HND      HIS  63   8.841  -5.227   4.430
  490    HD2  HIS  63           HD       HIS  63   8.216  -2.960   7.903
  491    HE1  HIS  63           HE       HIS  63   8.756  -2.814   3.681
  492    H    SER  64           H        SER  64   9.656  -5.067   9.934
  493    HA   SER  64           HA       SER  64   9.941  -7.266  11.757
  494   1HB   SER  64          2HB       SER  64   9.558  -5.392  13.408
  495   2HB   SER  64          3HB       SER  64  10.844  -5.069  12.227
  496    HG   SER  64           HG       SER  64   9.733  -3.316  11.901
  497    H    THR  65           H        THR  65   8.258  -7.473  13.645
  498    HA   THR  65           HA       THR  65   5.771  -8.205  12.408
  499    HB   THR  65           HB       THR  65   6.862  -8.270  15.243
  500    HG1  THR  65          1HG       THR  65   7.817  -9.749  13.913
  501   1HG2  THR  65          1HG       THR  65   4.197  -9.133  14.093
  502   2HG2  THR  65          2HG       THR  65   4.911  -9.928  15.519
  503   3HG2  THR  65          3HG       THR  65   4.531  -8.192  15.570
  504    H    ASP  66           H        ASP  66   6.808  -5.534  14.668
  505    HA   ASP  66           HA       ASP  66   4.373  -4.329  15.052
  506   1HB   ASP  66          2HB       ASP  66   7.101  -3.062  14.543
  507   2HB   ASP  66          3HB       ASP  66   5.709  -2.203  15.212
  508    H    ALA  67           H        ALA  67   6.408  -4.259  12.118
  509    HA   ALA  67           HA       ALA  67   4.852  -2.189  10.801
  510   1HB   ALA  67          1HB       ALA  67   6.612  -4.376   9.615
  511   2HB   ALA  67          2HB       ALA  67   6.075  -2.884   8.819
  512   3HB   ALA  67          3HB       ALA  67   7.208  -2.815  10.198
  513    H    ARG  68           H        ARG  68   4.803  -5.749  10.928
  514    HA   ARG  68           HA       ARG  68   2.726  -6.143   9.015
  515   1HB   ARG  68          2HB       ARG  68   4.347  -7.737  10.674
  516   2HB   ARG  68          3HB       ARG  68   2.676  -8.145  11.099
  517   1HG   ARG  68          2HG       ARG  68   2.130  -8.644   8.817
  518   2HG   ARG  68          3HG       ARG  68   3.627  -7.894   8.217
  519   1HD   ARG  68          2HD       ARG  68   5.006  -9.597   9.051
  520   2HD   ARG  68          3HD       ARG  68   3.749 -10.188  10.159
  521    HE   ARG  68           HE       ARG  68   2.946 -10.390   7.393
  522   1HH1  ARG  68          2HH       ARG  68   4.922 -11.929   9.861
  523   2HH1  ARG  68          1HH       ARG  68   4.666 -13.550   9.320
  524   1HH2  ARG  68          2HH       ARG  68   2.591 -12.557   6.596
  525   2HH2  ARG  68          1HH       ARG  68   3.314 -13.904   7.393
  526    H    GLU  69           H        GLU  69   2.631  -4.770  12.274
  527    HA   GLU  69           HA       GLU  69  -0.262  -5.332  12.584
  528   1HB   GLU  69          2HB       GLU  69   1.911  -4.183  14.350
  529   2HB   GLU  69          3HB       GLU  69   0.244  -3.652  14.605
  530   1HG   GLU  69          2HG       GLU  69  -0.387  -6.144  14.539
  531   2HG   GLU  69          3HG       GLU  69   1.334  -6.469  14.796
  532    H    LEU  70           H        LEU  70   1.792  -2.310  12.278
  533    HA   LEU  70           HA       LEU  70  -0.351  -0.654  12.021
  534   1HB   LEU  70          2HB       LEU  70   2.523  -0.631  11.291
  535   2HB   LEU  70          3HB       LEU  70   1.568   0.217  10.130
  536    HG   LEU  70           HG       LEU  70   2.080   1.972  11.378
  537   1HD1  LEU  70          1HD       LEU  70  -0.199   1.011  13.115
  538   2HD1  LEU  70          2HD       LEU  70   0.211   2.687  12.667
  539   3HD1  LEU  70          3HD       LEU  70  -0.418   1.570  11.431
  540   1HD2  LEU  70          1HD       LEU  70   3.359   0.609  12.998
  541   2HD2  LEU  70          2HD       LEU  70   2.510   2.002  13.710
  542   3HD2  LEU  70          3HD       LEU  70   1.853   0.348  13.915
  543    H    SER  71           H        SER  71   0.714  -2.946   9.611
  544    HA   SER  71           HA       SER  71  -0.663  -1.977   7.299
  545   1HB   SER  71          2HB       SER  71  -0.976  -4.826   7.578
  546   2HB   SER  71          3HB       SER  71   0.052  -3.921   6.462
  547    HG   SER  71           HG       SER  71   1.662  -3.868   8.121
  548    H    LYS  72           H        LYS  72  -1.921  -3.525  10.237
  549    HA   LYS  72           HA       LYS  72  -4.531  -3.959   9.222
  550   1HB   LYS  72          2HB       LYS  72  -3.139  -4.648  11.531
  551   2HB   LYS  72          3HB       LYS  72  -4.182  -3.361  12.131
  552   1HG   LYS  72          2HG       LYS  72  -5.462  -5.395  12.346
  553   2HG   LYS  72          3HG       LYS  72  -6.099  -4.623  10.878
  554   1HD   LYS  72          2HD       LYS  72  -4.002  -6.045   9.811
  555   2HD   LYS  72          3HD       LYS  72  -4.386  -7.068  11.200
  556   1HE   LYS  72          2HE       LYS  72  -6.746  -7.194  10.443
  557   2HE   LYS  72          3HE       LYS  72  -6.372  -6.114   9.086
  558   1HZ   LYS  72          1HZ       LYS  72  -4.904  -7.733   8.208
  559   2HZ   LYS  72          2HZ       LYS  72  -5.063  -8.716   9.519
  560   3HZ   LYS  72          3HZ       LYS  72  -6.348  -8.486   8.513
  561    H    THR  73           H        THR  73  -3.017  -1.020  10.652
  562    HA   THR  73           HA       THR  73  -5.688   0.243  10.607
  563    HB   THR  73           HB       THR  73  -3.604   0.491  12.334
  564    HG1  THR  73          1HG       THR  73  -5.558   2.434  11.713
  565   1HG2  THR  73          1HG       THR  73  -2.345   1.901  10.562
  566   2HG2  THR  73          2HG       THR  73  -3.568   3.147  10.862
  567   3HG2  THR  73          3HG       THR  73  -2.544   2.588  12.194
  568    H    PHE  74           H        PHE  74  -3.136  -0.254   8.387
  569    HA   PHE  74           HA       PHE  74  -3.812   2.219   6.881
  570   1HB   PHE  74          2HB       PHE  74  -1.621   0.133   6.642
  571   2HB   PHE  74          3HB       PHE  74  -1.883   1.416   5.456
  572    HD1  PHE  74          1HD       PHE  74  -2.382   3.817   6.930
  573    HD2  PHE  74          2HD       PHE  74   0.342   0.572   7.724
  574    HE1  PHE  74          1HE       PHE  74  -1.051   5.293   8.404
  575    HE2  PHE  74          2HE       PHE  74   1.748   2.125   9.098
  576    HZ   PHE  74           HZ       PHE  74   0.978   4.370   9.540
  577    H    ILE  75           H        ILE  75  -4.704  -1.146   6.916
  578    HA   ILE  75           HA       ILE  75  -5.300  -1.315   4.137
  579    HB   ILE  75           HB       ILE  75  -5.495  -2.970   6.451
  580   1HG1  ILE  75          2HG       ILE  75  -6.243  -3.688   3.610
  581   2HG1  ILE  75          3HG       ILE  75  -4.600  -3.281   4.067
  582   1HG2  ILE  75          1HG       ILE  75  -8.147  -2.931   4.951
  583   2HG2  ILE  75          2HG       ILE  75  -7.618  -4.171   6.102
  584   3HG2  ILE  75          3HG       ILE  75  -7.898  -2.535   6.676
  585   1HD1  ILE  75          1HD       ILE  75  -4.651  -5.073   5.828
  586   2HD1  ILE  75          2HD       ILE  75  -6.214  -5.611   5.154
  587   3HD1  ILE  75          3HD       ILE  75  -4.750  -5.649   4.162
  588    H    ILE  76           H        ILE  76  -6.539  -0.029   3.051
  589    HA   ILE  76           HA       ILE  76  -8.978   1.119   4.310
  590    HB   ILE  76           HB       ILE  76  -9.044   2.455   2.141
  591   1HG1  ILE  76          2HG       ILE  76  -6.078   1.822   1.940
  592   2HG1  ILE  76          3HG       ILE  76  -7.222   0.864   1.078
  593   1HG2  ILE  76          1HG       ILE  76  -6.630   2.934   3.934
  594   2HG2  ILE  76          2HG       ILE  76  -7.602   4.148   3.068
  595   3HG2  ILE  76          3HG       ILE  76  -8.301   3.258   4.426
  596   1HD1  ILE  76          1HD       ILE  76  -7.265   3.853   0.813
  597   2HD1  ILE  76          2HD       ILE  76  -6.237   2.781  -0.186
  598   3HD1  ILE  76          3HD       ILE  76  -8.010   2.638  -0.236
  599    H    GLY  77           H        GLY  77  -8.114  -1.712   2.717
  600   1HA   GLY  77          2HA       GLY  77 -10.552  -2.814   2.619
  601   2HA   GLY  77          3HA       GLY  77 -10.580  -1.843   1.131
  602    H    GLU  78           H        GLU  78 -10.668  -3.615  -0.238
  603    HA   GLU  78           HA       GLU  78  -8.039  -4.693  -0.789
  604   1HB   GLU  78          2HB       GLU  78  -8.948  -6.827  -1.521
  605   2HB   GLU  78          3HB       GLU  78  -9.321  -6.572   0.185
  606   1HG   GLU  78          2HG       GLU  78 -11.617  -5.935  -0.345
  607   2HG   GLU  78          3HG       GLU  78 -11.282  -5.965  -2.077
  608    H    LEU  79           H        LEU  79  -8.768  -5.895  -3.379
  609    HA   LEU  79           HA       LEU  79  -9.430  -3.438  -4.753
  610   1HB   LEU  79          2HB       LEU  79  -7.410  -3.507  -5.640
  611   2HB   LEU  79          3HB       LEU  79  -6.984  -4.602  -4.380
  612    HG   LEU  79           HG       LEU  79  -7.745  -6.478  -6.089
  613   1HD1  LEU  79          1HD       LEU  79  -6.845  -5.342  -8.350
  614   2HD1  LEU  79          2HD       LEU  79  -8.507  -5.561  -7.975
  615   3HD1  LEU  79          3HD       LEU  79  -7.799  -3.979  -7.654
  616   1HD2  LEU  79          1HD       LEU  79  -5.553  -6.448  -5.313
  617   2HD2  LEU  79          2HD       LEU  79  -5.273  -6.077  -7.013
  618   3HD2  LEU  79          3HD       LEU  79  -5.276  -4.767  -5.832
  619    H    HIS  80           H        HIS  80  -9.930  -4.292  -7.130
  620    HA   HIS  80           HA       HIS  80 -12.270  -5.997  -6.889
  621   1HB   HIS  80          2HB       HIS  80 -10.971  -4.437  -8.990
  622   2HB   HIS  80          3HB       HIS  80 -11.446  -5.982  -9.623
  623    HD1  HIS  80           HD1      HIS  80 -13.612  -5.470 -10.918
  624    HD2  HIS  80           HD2      HIS  80 -13.416  -3.697  -7.113
  625    HE1  HIS  80           HE1      HIS  80 -15.925  -4.478 -10.450
  626    HA   PRO  81           HA       PRO  81 -10.507  -9.988  -7.555
  627   1HB   PRO  81          2HB       PRO  81 -12.430 -11.345  -8.960
  628   2HB   PRO  81          3HB       PRO  81 -12.594 -10.820  -7.258
  629   1HG   PRO  81          2HG       PRO  81 -13.757  -9.532  -9.719
  630   2HG   PRO  81          3HG       PRO  81 -14.505  -9.766  -8.107
  631   1HD   PRO  81          2HD       PRO  81 -13.273  -7.430  -9.015
  632   2HD   PRO  81          3HD       PRO  81 -13.532  -7.834  -7.292
  633    H    ASP  82           H        ASP  82 -10.530  -7.772  -9.953
  634    HA   ASP  82           HA       ASP  82 -10.014  -9.284 -12.325
  635   1HB   ASP  82          2HB       ASP  82 -10.546  -6.675 -11.889
  636   2HB   ASP  82          3HB       ASP  82  -8.803  -6.551 -11.830
  637    H    ASP  83           H        ASP  83  -7.962  -7.824  -9.817
  638    HA   ASP  83           HA       ASP  83  -5.394  -8.671 -10.786
  639   1HB   ASP  83          2HB       ASP  83  -5.306  -7.026  -9.179
  640   2HB   ASP  83          3HB       ASP  83  -6.626  -7.695  -8.229
  641    H    ARG  84           H        ARG  84  -8.039 -10.382  -9.335
  642    HA   ARG  84           HA       ARG  84  -6.349 -12.584  -8.392
  643   1HB   ARG  84          2HB       ARG  84  -8.752 -11.443  -7.576
  644   2HB   ARG  84          3HB       ARG  84  -9.313 -12.904  -8.376
  645   1HG   ARG  84          2HG       ARG  84  -7.094 -12.877  -6.267
  646   2HG   ARG  84          3HG       ARG  84  -8.802 -12.943  -5.863
  647   1HD   ARG  84          2HD       ARG  84  -8.696 -14.999  -7.675
  648   2HD   ARG  84          3HD       ARG  84  -7.050 -15.055  -7.055
  649    HE   ARG  84           HE       ARG  84  -7.838 -15.821  -5.036
  650   1HH1  ARG  84          2HH       ARG  84 -10.503 -14.463  -6.875
  651   2HH1  ARG  84          1HH       ARG  84 -11.740 -14.822  -5.713
  652   1HH2  ARG  84          2HH       ARG  84  -9.471 -16.332  -3.430
  653   2HH2  ARG  84          1HH       ARG  84 -11.126 -15.942  -3.716
  654    H    SER  85           H        SER  85  -7.335 -11.668 -11.391
  655    HA   SER  85           HA       SER  85  -7.621 -12.642 -13.361
  656   1HB   SER  85          2HB       SER  85  -5.474 -13.740 -12.356
  657   2HB   SER  85          3HB       SER  85  -6.445 -15.224 -12.342
  658    HG   SER  85           HG       SER  85  -5.169 -14.608 -14.316
  659    H    LYS  86           H        LYS  86  -9.907 -12.464 -12.221
  660    HA   LYS  86           HA       LYS  86 -11.256 -15.073 -12.847
  661   1HB   LYS  86          2HB       LYS  86 -10.969 -14.001 -10.301
  662   2HB   LYS  86          3HB       LYS  86 -12.577 -13.443 -10.750
  663   1HG   LYS  86          2HG       LYS  86 -11.579 -16.328 -10.854
  664   2HG   LYS  86          3HG       LYS  86 -12.525 -15.621  -9.549
  665   1HD   LYS  86          2HD       LYS  86 -14.107 -15.067 -11.791
  666   2HD   LYS  86          3HD       LYS  86 -13.401 -16.638 -12.179
  667   1HE   LYS  86          2HE       LYS  86 -15.382 -17.170 -11.022
  668   2HE   LYS  86          3HE       LYS  86 -14.120 -17.348  -9.792
  669   1HZ   LYS  86          1HZ       LYS  86 -15.847 -14.978 -10.168
  670   2HZ   LYS  86          2HZ       LYS  86 -16.020 -16.099  -8.979
  671   3HZ   LYS  86          3HZ       LYS  86 -14.689 -15.127  -9.009
  672    H    LEU  87           H        LEU  87 -11.535 -11.522 -12.884
  673    HA   LEU  87           HA       LEU  87 -14.203 -11.333 -13.835
  674   1HB   LEU  87          2HB       LEU  87 -11.779  -9.625 -13.664
  675   2HB   LEU  87          3HB       LEU  87 -12.849  -9.189 -14.977
  676    HG   LEU  87           HG       LEU  87 -13.904  -9.641 -12.161
  677   1HD1  LEU  87          1HD       LEU  87 -13.831  -7.113 -12.001
  678   2HD1  LEU  87          2HD       LEU  87 -12.301  -7.978 -11.848
  679   3HD1  LEU  87          3HD       LEU  87 -12.688  -7.148 -13.373
  680   1HD2  LEU  87          1HD       LEU  87 -15.048  -8.783 -14.760
  681   2HD2  LEU  87          2HD       LEU  87 -15.849  -9.419 -13.307
  682   3HD2  LEU  87          3HD       LEU  87 -15.444  -7.700 -13.425
  683    H    SER  88           H        SER  88 -14.937 -12.469 -15.597
  684    HA   SER  88           HA       SER  88 -13.774 -11.826 -18.189
  685   1HB   SER  88          2HB       SER  88 -12.296 -13.673 -17.350
  686   2HB   SER  88          3HB       SER  88 -13.720 -14.717 -17.217
  687    HG   SER  88           HG       SER  88 -13.759 -14.921 -19.316
  688    H    LYS  89           H        LYS  89 -15.984 -10.992 -18.529
  689    HA   LYS  89           HA       LYS  89 -17.718 -13.146 -19.432
  690   1HB   LYS  89          2HB       LYS  89 -18.282 -12.841 -16.981
  691   2HB   LYS  89          3HB       LYS  89 -18.888 -11.232 -17.366
  692   1HG   LYS  89          2HG       LYS  89 -19.904 -13.331 -19.203
  693   2HG   LYS  89          3HG       LYS  89 -20.272 -13.681 -17.517
  694   1HD   LYS  89          2HD       LYS  89 -21.499 -11.672 -17.227
  695   2HD   LYS  89          3HD       LYS  89 -20.922 -10.972 -18.750
  696   1HE   LYS  89          2HE       LYS  89 -22.353 -13.631 -18.779
  697   2HE   LYS  89          3HE       LYS  89 -23.314 -12.156 -18.599
  698   1HZ   LYS  89          1HZ       LYS  89 -22.521 -11.359 -20.659
  699   2HZ   LYS  89          2HZ       LYS  89 -21.374 -12.483 -20.805
  700   3HZ   LYS  89          3HZ       LYS  89 -22.957 -12.923 -20.937
  701    HA   PRO  90           HA       PRO  90 -17.804  -9.355 -21.986
  702   1HB   PRO  90          2HB       PRO  90 -17.972 -10.583 -24.456
  703   2HB   PRO  90          3HB       PRO  90 -16.441 -10.297 -23.579
  704   1HG   PRO  90          2HG       PRO  90 -18.023 -12.844 -23.818
  705   2HG   PRO  90          3HG       PRO  90 -16.248 -12.617 -23.773
  706   1HD   PRO  90          2HD       PRO  90 -17.849 -13.389 -21.610
  707   2HD   PRO  90          3HD       PRO  90 -16.225 -12.652 -21.451
  708    H    MET  91           H        MET  91 -19.503  -8.532 -23.535
  709    HA   MET  91           HA       MET  91 -21.964 -10.016 -23.793
  710   1HB   MET  91          2HB       MET  91 -22.021  -9.096 -21.431
  711   2HB   MET  91          3HB       MET  91 -21.914  -7.462 -22.093
  712   1HG   MET  91          2HG       MET  91 -24.087  -7.540 -22.927
  713   2HG   MET  91          3HG       MET  91 -24.011  -9.279 -23.223
  714   1HE   MET  91          1HE       MET  91 -25.817 -10.570 -22.188
  715   2HE   MET  91          2HE       MET  91 -26.845  -9.880 -20.910
  716   3HE   MET  91          3HE       MET  91 -26.599  -8.990 -22.432
  717    H    GLU  92           H        GLU  92 -22.793  -9.340 -25.797
  718    HA   GLU  92           HA       GLU  92 -22.475  -6.554 -26.571
  719   1HB   GLU  92          2HB       GLU  92 -20.500  -7.731 -27.588
  720   2HB   GLU  92          3HB       GLU  92 -21.592  -8.909 -28.312
  721   1HG   GLU  92          2HG       GLU  92 -21.021  -7.391 -30.036
  722   2HG   GLU  92          3HG       GLU  92 -22.676  -6.986 -29.593
  723    H    THR  93           H        THR  93 -24.324  -5.959 -27.834
  724    HA   THR  93           HA       THR  93 -26.171  -8.043 -28.716
  725    HB   THR  93           HB       THR  93 -26.836  -6.046 -26.506
  726    HG1  THR  93          1HG       THR  93 -26.475  -8.772 -26.729
  727   1HG2  THR  93          1HG       THR  93 -28.804  -7.727 -28.120
  728   2HG2  THR  93          2HG       THR  93 -29.157  -6.942 -26.567
  729   3HG2  THR  93          3HG       THR  93 -28.766  -5.947 -27.964
  730    H    LEU  94           H        LEU  94 -27.965  -6.949 -29.964
  731    HA   LEU  94           HA       LEU  94 -26.908  -5.115 -31.906
  732   1HB   LEU  94          2HB       LEU  94 -28.748  -6.840 -32.278
  733   2HB   LEU  94          3HB       LEU  94 -29.762  -5.894 -31.179
  734    HG   LEU  94           HG       LEU  94 -29.067  -3.932 -32.970
  735   1HD1  LEU  94          1HD       LEU  94 -28.949  -4.720 -35.177
  736   2HD1  LEU  94          2HD       LEU  94 -27.837  -5.784 -34.300
  737   3HD1  LEU  94          3HD       LEU  94 -29.463  -6.363 -34.732
  738   1HD2  LEU  94          1HD       LEU  94 -31.341  -5.936 -33.228
  739   2HD2  LEU  94          2HD       LEU  94 -31.322  -4.482 -32.204
  740   3HD2  LEU  94          3HD       LEU  94 -31.283  -4.315 -33.968
  741    HHA  HEM  95          MHG       HEM  95  11.932  -0.440   8.470
  742    HHB  HEM  95          MHD       HEM  95   5.586  -0.221   9.548
  743    HHC  HEM  95          MHA       HEM  95   4.551  -0.934   3.245
  744    HHD  HEM  95          MHB       HEM  95  10.867  -0.089   2.130
  745   1HMA  HEM  95          1HM       HEM  95   6.590  -0.778  11.450
  746   2HMA  HEM  95          2HM       HEM  95   8.143  -0.899  12.245
  747   3HMA  HEM  95          3HM       HEM  95   7.478   0.700  11.851
  748   1HAA  HEM  95          1HP       HEM  95  11.113  -1.676  10.737
  749   2HAA  HEM  95          2HP       HEM  95  10.279  -0.740  11.952
  750   1HBA  HEM  95          3HP       HEM  95  11.751   0.921  11.922
  751   2HBA  HEM  95          4HP       HEM  95  11.613   1.110  10.185
  752   1HMB  HEM  95          1HM       HEM  95   3.391  -1.167   9.102
  753   2HMB  HEM  95          2HM       HEM  95   3.258   0.557   8.731
  754   3HMB  HEM  95          3HM       HEM  95   2.184  -0.620   7.925
  755    HAB  HEM  95          AHT       HEM  95   2.379  -0.347   4.414
  756   1HBB  HEM  95          CHV       HEM  95   2.177  -2.697   6.356
  757   2HBB  HEM  95          THV       HEM  95   0.927  -2.158   5.073
  758   1HMC  HEM  95          1HM       HEM  95   5.112  -1.817   1.256
  759   2HMC  HEM  95          2HM       HEM  95   5.291  -0.278   0.384
  760   3HMC  HEM  95          3HM       HEM  95   6.313  -1.693  -0.013
  761    HAC  HEM  95          AHT       HEM  95   9.894  -0.555   0.125
  762   1HBC  HEM  95          THV       HEM  95   8.763   0.205  -1.833
  763   2HBC  HEM  95          CHV       HEM  95   7.169   0.401  -0.897
  764   1HMD  HEM  95          1HM       HEM  95  13.043   1.045   2.819
  765   2HMD  HEM  95          2HM       HEM  95  14.303   0.230   3.760
  766   3HMD  HEM  95          3HM       HEM  95  13.258  -0.712   2.689
  767   1HAD  HEM  95          1HP       HEM  95  13.624   0.783   7.392
  768   2HAD  HEM  95          2HP       HEM  95  14.499   0.636   5.883
  769   1HBD  HEM  95          3HP       HEM  95  14.600  -1.864   6.241
  770   2HBD  HEM  95          4HP       HEM  95  13.816  -1.632   7.809
  Start of MODEL   20
    1   1H    ASP   1           H1       ASP   1 -19.715 -10.669   9.590
    2   2H    ASP   1           H2       ASP   1 -20.967  -9.774   9.041
    3   3H    ASP   1           H3       ASP   1 -21.112 -11.418   9.117
    4    HA   ASP   1           HA       ASP   1 -20.693 -10.481   6.844
    5   1HB   ASP   1          2HB       ASP   1 -18.985 -12.079   6.188
    6   2HB   ASP   1          3HB       ASP   1 -18.461 -12.296   7.862
    7    H    LYS   2           H        LYS   2 -18.661  -9.647   5.457
    8    HA   LYS   2           HA       LYS   2 -17.180  -7.835   7.242
    9   1HB   LYS   2          2HB       LYS   2 -16.000 -10.159   6.694
   10   2HB   LYS   2          3HB       LYS   2 -15.581  -9.346   5.178
   11   1HG   LYS   2          2HG       LYS   2 -14.375  -7.624   6.349
   12   2HG   LYS   2          3HG       LYS   2 -15.104  -8.062   7.908
   13   1HD   LYS   2          2HD       LYS   2 -13.905 -10.094   8.067
   14   2HD   LYS   2          3HD       LYS   2 -13.375 -10.022   6.370
   15   1HE   LYS   2          2HE       LYS   2 -11.976  -8.096   6.808
   16   2HE   LYS   2          3HE       LYS   2 -12.612  -7.938   8.456
   17   1HZ   LYS   2          1HZ       LYS   2 -11.614 -10.060   8.983
   18   2HZ   LYS   2          2HZ       LYS   2 -11.028 -10.218   7.452
   19   3HZ   LYS   2          3HZ       LYS   2 -10.467  -9.018   8.428
   20    H    ASP   3           H        ASP   3 -17.258  -5.870   6.501
   21    HA   ASP   3           HA       ASP   3 -17.879  -5.392   3.649
   22   1HB   ASP   3          2HB       ASP   3 -18.435  -3.579   6.030
   23   2HB   ASP   3          3HB       ASP   3 -19.082  -3.470   4.392
   24    H    VAL   4           H        VAL   4 -16.127  -4.476   2.573
   25    HA   VAL   4           HA       VAL   4 -14.207  -2.893   4.183
   26    HB   VAL   4           HB       VAL   4 -13.496  -4.459   1.688
   27   1HG1  VAL   4          1HG       VAL   4 -11.537  -3.917   3.870
   28   2HG1  VAL   4          2HG       VAL   4 -11.343  -3.807   2.114
   29   3HG1  VAL   4          3HG       VAL   4 -12.108  -2.481   3.027
   30   1HG2  VAL   4          1HG       VAL   4 -14.136  -6.235   3.120
   31   2HG2  VAL   4          2HG       VAL   4 -12.391  -6.099   3.323
   32   3HG2  VAL   4          3HG       VAL   4 -13.488  -5.429   4.560
   33    H    LYS   5           H        LYS   5 -13.229  -2.502   1.228
   34    HA   LYS   5           HA       LYS   5 -15.318  -0.503   0.503
   35   1HB   LYS   5          2HB       LYS   5 -13.028   0.301   1.572
   36   2HB   LYS   5          3HB       LYS   5 -12.434   0.048  -0.084
   37   1HG   LYS   5          2HG       LYS   5 -13.075   2.356   0.274
   38   2HG   LYS   5          3HG       LYS   5 -14.146   1.626  -0.932
   39   1HD   LYS   5          2HD       LYS   5 -15.969   1.532   0.588
   40   2HD   LYS   5          3HD       LYS   5 -14.927   1.696   2.012
   41   1HE   LYS   5          2HE       LYS   5 -15.189   3.862  -0.105
   42   2HE   LYS   5          3HE       LYS   5 -16.293   3.757   1.281
   43   1HZ   LYS   5          1HZ       LYS   5 -14.432   3.992   2.747
   44   2HZ   LYS   5          2HZ       LYS   5 -13.360   3.999   1.495
   45   3HZ   LYS   5          3HZ       LYS   5 -14.419   5.244   1.676
   46    H    TYR   6           H        TYR   6 -12.781  -2.662  -0.627
   47    HA   TYR   6           HA       TYR   6 -12.230  -3.574  -2.543
   48   1HB   TYR   6          2HB       TYR   6 -15.116  -3.309  -3.269
   49   2HB   TYR   6          3HB       TYR   6 -13.985  -4.602  -3.673
   50    HD1  TYR   6           HD1      TYR   6 -13.161  -6.142  -1.745
   51    HD2  TYR   6           HD2      TYR   6 -16.459  -3.396  -1.325
   52    HE1  TYR   6           HE1      TYR   6 -13.965  -7.398   0.244
   53    HE2  TYR   6           HE2      TYR   6 -17.281  -4.653   0.635
   54    HH   TYR   6           HH       TYR   6 -17.016  -6.822   1.915
   55    H    TYR   7           H        TYR   7 -10.821  -2.340  -3.987
   56    HA   TYR   7           HA       TYR   7 -12.182  -0.297  -5.572
   57   1HB   TYR   7          2HB       TYR   7  -9.523  -0.455  -4.097
   58   2HB   TYR   7          3HB       TYR   7  -9.741   0.534  -5.476
   59    HD1  TYR   7           HD1      TYR   7  -9.886   0.612  -2.013
   60    HD2  TYR   7           HD2      TYR   7 -12.039   2.014  -5.450
   61    HE1  TYR   7           HE1      TYR   7 -10.867   2.467  -0.658
   62    HE2  TYR   7           HE2      TYR   7 -12.865   3.949  -4.182
   63    HH   TYR   7           HH       TYR   7 -12.599   5.142  -2.158
   64    H    THR   8           H        THR   8 -11.252  -0.020  -7.697
   65    HA   THR   8           HA       THR   8 -10.641  -2.648  -8.892
   66    HB   THR   8           HB       THR   8 -11.153  -1.275 -10.996
   67    HG1  THR   8          1HG       THR   8 -12.285   0.711 -10.514
   68   1HG2  THR   8          1HG       THR   8 -13.510  -1.458 -10.728
   69   2HG2  THR   8          2HG       THR   8 -12.817  -2.686  -9.660
   70   3HG2  THR   8          3HG       THR   8 -13.418  -1.156  -8.974
   71    H    LEU   9           H        LEU   9  -8.744  -2.871 -10.265
   72    HA   LEU   9           HA       LEU   9  -6.462  -1.642  -9.233
   73   1HB   LEU   9          2HB       LEU   9  -6.784  -2.680 -12.089
   74   2HB   LEU   9          3HB       LEU   9  -5.270  -2.377 -11.249
   75    HG   LEU   9           HG       LEU   9  -5.542  -4.667 -11.173
   76   1HD1  LEU   9          1HD       LEU   9  -4.934  -3.560  -8.977
   77   2HD1  LEU   9          2HD       LEU   9  -6.619  -3.807  -8.464
   78   3HD1  LEU   9          3HD       LEU   9  -5.587  -5.204  -8.859
   79   1HD2  LEU   9          1HD       LEU   9  -8.248  -4.728  -9.850
   80   2HD2  LEU   9          2HD       LEU   9  -8.145  -4.510 -11.621
   81   3HD2  LEU   9          3HD       LEU   9  -7.411  -5.910 -10.845
   82    H    GLU  10           H        GLU  10  -8.393  -0.537 -12.040
   83    HA   GLU  10           HA       GLU  10  -6.693   1.576 -12.860
   84   1HB   GLU  10          2HB       GLU  10  -9.650   1.005 -13.028
   85   2HB   GLU  10          3HB       GLU  10  -9.103   2.659 -13.318
   86   1HG   GLU  10          2HG       GLU  10  -7.337   1.548 -14.922
   87   2HG   GLU  10          3HG       GLU  10  -8.448   0.173 -14.904
   88    H    GLU  11           H        GLU  11  -9.190   1.530 -10.254
   89    HA   GLU  11           HA       GLU  11  -8.895   4.287  -9.594
   90   1HB   GLU  11          2HB       GLU  11 -10.809   2.859  -8.858
   91   2HB   GLU  11          3HB       GLU  11  -9.707   1.923  -7.851
   92   1HG   GLU  11          2HG       GLU  11 -10.724   3.386  -6.384
   93   2HG   GLU  11          3HG       GLU  11  -9.132   4.045  -6.609
   94    H    ILE  12           H        ILE  12  -7.177   1.283  -8.353
   95    HA   ILE  12           HA       ILE  12  -5.661   2.760  -6.478
   96    HB   ILE  12           HB       ILE  12  -5.044   0.136  -7.915
   97   1HG1  ILE  12          2HG       ILE  12  -5.548  -0.591  -5.476
   98   2HG1  ILE  12          3HG       ILE  12  -6.339   0.982  -5.342
   99   1HG2  ILE  12          1HG       ILE  12  -3.522   1.775  -5.876
  100   2HG2  ILE  12          2HG       ILE  12  -3.507   0.036  -5.708
  101   3HG2  ILE  12          3HG       ILE  12  -2.925   0.743  -7.208
  102   1HD1  ILE  12          1HD       ILE  12  -7.125  -1.073  -7.361
  103   2HD1  ILE  12          2HD       ILE  12  -7.797  -1.025  -5.739
  104   3HD1  ILE  12          3HD       ILE  12  -8.024   0.377  -6.776
  105    H    LYS  13           H        LYS  13  -5.156   2.218  -9.957
  106    HA   LYS  13           HA       LYS  13  -2.467   3.338  -9.988
  107   1HB   LYS  13          2HB       LYS  13  -4.518   2.734 -12.140
  108   2HB   LYS  13          3HB       LYS  13  -3.012   3.579 -12.479
  109   1HG   LYS  13          2HG       LYS  13  -2.023   1.620 -12.731
  110   2HG   LYS  13          3HG       LYS  13  -2.071   1.438 -10.990
  111   1HD   LYS  13          2HD       LYS  13  -3.610  -0.219 -11.065
  112   2HD   LYS  13          3HD       LYS  13  -4.550   0.528 -12.380
  113   1HE   LYS  13          2HE       LYS  13  -1.817  -0.614 -12.920
  114   2HE   LYS  13          3HE       LYS  13  -3.223  -1.688 -12.841
  115   1HZ   LYS  13          1HZ       LYS  13  -2.607  -0.679 -15.083
  116   2HZ   LYS  13          2HZ       LYS  13  -4.194  -0.662 -14.645
  117   3HZ   LYS  13          3HZ       LYS  13  -3.295   0.709 -14.525
  118    H    LYS  14           H        LYS  14  -5.520   4.726  -9.472
  119    HA   LYS  14           HA       LYS  14  -4.614   7.418 -10.382
  120   1HB   LYS  14          2HB       LYS  14  -7.310   6.186  -9.772
  121   2HB   LYS  14          3HB       LYS  14  -7.098   7.939  -9.815
  122   1HG   LYS  14          2HG       LYS  14  -6.398   7.944 -12.065
  123   2HG   LYS  14          3HG       LYS  14  -6.094   6.196 -12.103
  124   1HD   LYS  14          2HD       LYS  14  -8.401   5.660 -12.085
  125   2HD   LYS  14          3HD       LYS  14  -8.854   7.280 -11.518
  126   1HE   LYS  14          2HE       LYS  14  -7.647   7.987 -13.833
  127   2HE   LYS  14          3HE       LYS  14  -8.111   6.336 -14.279
  128   1HZ   LYS  14          1HZ       LYS  14  -9.776   8.646 -13.735
  129   2HZ   LYS  14          2HZ       LYS  14 -10.002   7.421 -14.817
  130   3HZ   LYS  14          3HZ       LYS  14 -10.362   7.196 -13.227
  131    H    HIS  15           H        HIS  15  -3.915   5.708  -7.777
  132    HA   HIS  15           HA       HIS  15  -4.137   8.058  -5.956
  133   1HB   HIS  15          2HB       HIS  15  -4.423   5.104  -5.505
  134   2HB   HIS  15          3HB       HIS  15  -4.220   6.228  -4.179
  135    HD1  HIS  15           HD1      HIS  15  -6.264   8.378  -4.249
  136    HD2  HIS  15           HD2      HIS  15  -6.907   4.586  -5.923
  137    HE1  HIS  15           HE1      HIS  15  -8.777   8.098  -4.491
  138    H    ASN  16           H        ASN  16  -2.165   7.805  -7.765
  139    HA   ASN  16           HA       ASN  16   0.280   6.971  -6.255
  140   1HB   ASN  16          2HB       ASN  16  -0.058   7.491  -9.242
  141   2HB   ASN  16          3HB       ASN  16   1.453   7.054  -8.424
  142   1HD2  ASN  16          1HD       ASN  16  -1.870   5.861  -9.004
  143   2HD2  ASN  16          2HD       ASN  16  -1.558   4.232  -8.437
  144    H    HIS  17           H        HIS  17  -0.802   9.278  -5.267
  145    HA   HIS  17           HA       HIS  17   1.006  11.395  -6.328
  146   1HB   HIS  17          2HB       HIS  17  -1.874  11.876  -5.534
  147   2HB   HIS  17          3HB       HIS  17  -0.762  13.008  -6.304
  148    HD1  HIS  17           HD1      HIS  17  -0.263  12.497  -9.002
  149    HD2  HIS  17           HD2      HIS  17  -3.184  10.137  -7.085
  150    HE1  HIS  17           HE1      HIS  17  -1.513  11.234 -10.833
  151    H    SER  18           H        SER  18   1.433  13.084  -4.719
  152    HA   SER  18           HA       SER  18   1.807  12.075  -2.015
  153   1HB   SER  18          2HB       SER  18   2.442  14.627  -3.517
  154   2HB   SER  18          3HB       SER  18   2.589  14.562  -1.751
  155    HG   SER  18           HG       SER  18   3.840  12.713  -3.513
  156    H    LYS  19           H        LYS  19  -0.547  11.675  -1.852
  157    HA   LYS  19           HA       LYS  19  -1.826  13.289  -0.027
  158   1HB   LYS  19          2HB       LYS  19  -2.168  14.613  -2.424
  159   2HB   LYS  19          3HB       LYS  19  -3.475  13.462  -2.520
  160   1HG   LYS  19          2HG       LYS  19  -4.656  14.933  -1.193
  161   2HG   LYS  19          3HG       LYS  19  -3.648  14.387   0.142
  162   1HD   LYS  19          2HD       LYS  19  -3.369  16.706   0.189
  163   2HD   LYS  19          3HD       LYS  19  -1.917  16.176  -0.676
  164   1HE   LYS  19          2HE       LYS  19  -2.597  17.142  -2.650
  165   2HE   LYS  19          3HE       LYS  19  -4.242  16.531  -2.455
  166   1HZ   LYS  19          1HZ       LYS  19  -4.506  18.346  -0.755
  167   2HZ   LYS  19          2HZ       LYS  19  -3.132  19.017  -1.371
  168   3HZ   LYS  19          3HZ       LYS  19  -4.456  18.807  -2.331
  169    H    SER  20           H        SER  20  -2.052  10.719  -2.513
  170    HA   SER  20           HA       SER  20  -3.836   9.210  -0.702
  171   1HB   SER  20          2HB       SER  20  -4.257   9.979  -3.610
  172   2HB   SER  20          3HB       SER  20  -4.920   8.478  -2.966
  173    HG   SER  20           HG       SER  20  -5.361  10.722  -1.395
  174    H    THR  21           H        THR  21  -0.976   9.081  -1.004
  175    HA   THR  21           HA       THR  21  -0.029   7.227  -2.926
  176    HB   THR  21           HB       THR  21   0.823   7.972  -0.113
  177    HG1  THR  21          1HG       THR  21   0.908   9.309  -2.208
  178   1HG2  THR  21          1HG       THR  21   1.799   5.863  -0.288
  179   2HG2  THR  21          2HG       THR  21   2.064   6.003  -2.054
  180   3HG2  THR  21          3HG       THR  21   3.046   6.938  -0.918
  181    H    TRP  22           H        TRP  22  -1.377   5.571  -3.286
  182    HA   TRP  22           HA       TRP  22  -1.848   3.606  -1.113
  183   1HB   TRP  22          2HB       TRP  22  -2.989   3.984  -3.904
  184   2HB   TRP  22          3HB       TRP  22  -3.317   2.566  -2.923
  185    HD1  TRP  22           HD1      TRP  22  -3.316   5.591  -0.756
  186    HE1  TRP  22           HE1      TRP  22  -5.647   6.369  -0.247
  187    HE3  TRP  22           HE3      TRP  22  -5.806   2.670  -4.093
  188    HZ2  TRP  22           HZ2      TRP  22  -8.346   5.909  -1.296
  189    HZ3  TRP  22           HZ3      TRP  22  -8.296   2.837  -4.315
  190    HH2  TRP  22           HH2      TRP  22  -9.542   4.489  -2.968
  191    H    LEU  23           H        LEU  23  -1.641   1.305  -2.014
  192    HA   LEU  23           HA       LEU  23   0.061   0.701  -4.218
  193   1HB   LEU  23          2HB       LEU  23   1.962  -0.215  -2.788
  194   2HB   LEU  23          3HB       LEU  23   1.881   1.514  -3.016
  195    HG   LEU  23           HG       LEU  23   0.684   1.628  -0.701
  196   1HD1  LEU  23          1HD       LEU  23   1.137  -0.173   0.805
  197   2HD1  LEU  23          2HD       LEU  23   0.256  -0.842  -0.577
  198   3HD1  LEU  23          3HD       LEU  23   2.004  -1.063  -0.485
  199   1HD2  LEU  23          1HD       LEU  23   3.481   1.516  -1.451
  200   2HD2  LEU  23          2HD       LEU  23   2.671   2.472  -0.207
  201   3HD2  LEU  23          3HD       LEU  23   3.264   0.837   0.162
  202    H    ILE  24           H        ILE  24   0.630  -1.803  -4.023
  203    HA   ILE  24           HA       ILE  24  -1.786  -3.088  -2.844
  204    HB   ILE  24           HB       ILE  24  -0.134  -3.912  -5.308
  205   1HG1  ILE  24          2HG       ILE  24  -1.385  -2.029  -5.987
  206   2HG1  ILE  24          3HG       ILE  24  -2.229  -3.478  -6.550
  207   1HG2  ILE  24          1HG       ILE  24  -2.477  -5.163  -3.846
  208   2HG2  ILE  24          2HG       ILE  24  -2.204  -5.473  -5.571
  209   3HG2  ILE  24          3HG       ILE  24  -0.961  -5.910  -4.395
  210   1HD1  ILE  24          1HD       ILE  24  -3.951  -2.138  -5.700
  211   2HD1  ILE  24          2HD       ILE  24  -3.629  -3.243  -4.347
  212   3HD1  ILE  24          3HD       ILE  24  -2.999  -1.602  -4.296
  213    H    LEU  25           H        LEU  25  -0.757  -3.719  -0.867
  214    HA   LEU  25           HA       LEU  25   1.681  -5.367  -1.177
  215   1HB   LEU  25          2HB       LEU  25   0.668  -3.444   0.815
  216   2HB   LEU  25          3HB       LEU  25   1.532  -4.842   1.499
  217    HG   LEU  25           HG       LEU  25   2.666  -3.072  -0.683
  218   1HD1  LEU  25          1HD       LEU  25   2.219  -1.939   1.612
  219   2HD1  LEU  25          2HD       LEU  25   3.394  -3.077   2.282
  220   3HD1  LEU  25          3HD       LEU  25   3.890  -1.920   1.028
  221   1HD2  LEU  25          1HD       LEU  25   4.737  -4.138  -0.088
  222   2HD2  LEU  25          2HD       LEU  25   3.966  -5.020   1.258
  223   3HD2  LEU  25          3HD       LEU  25   3.531  -5.384  -0.412
  224    H    HIS  26           H        HIS  26   0.630  -7.211  -1.725
  225    HA   HIS  26           HA       HIS  26   0.000  -9.333  -1.158
  226   1HB   HIS  26          2HB       HIS  26  -1.091  -8.415   1.517
  227   2HB   HIS  26          3HB       HIS  26  -0.703 -10.033   1.004
  228    HD1  HIS  26           HD1      HIS  26   2.099 -10.456   0.642
  229    HD2  HIS  26           HD2      HIS  26   0.755  -7.105   2.817
  230    HE1  HIS  26           HE1      HIS  26   4.086  -9.613   2.008
  231    H    HIS  27           H        HIS  27  -1.459  -8.394  -2.982
  232    HA   HIS  27           HA       HIS  27  -3.413  -8.056  -3.987
  233   1HB   HIS  27          2HB       HIS  27  -4.420 -10.285  -2.188
  234   2HB   HIS  27          3HB       HIS  27  -4.978  -9.894  -3.812
  235    HD1  HIS  27           HD1      HIS  27  -2.890 -12.342  -2.166
  236    HD2  HIS  27           HD2      HIS  27  -2.708 -10.092  -5.715
  237    HE1  HIS  27           HE1      HIS  27  -1.276 -13.570  -3.733
  238    H    LYS  28           H        LYS  28  -3.233  -6.256  -1.764
  239    HA   LYS  28           HA       LYS  28  -6.078  -5.766  -1.191
  240   1HB   LYS  28          2HB       LYS  28  -5.552  -5.343   1.165
  241   2HB   LYS  28          3HB       LYS  28  -5.242  -7.038   0.732
  242   1HG   LYS  28          2HG       LYS  28  -2.784  -6.119   0.298
  243   2HG   LYS  28          3HG       LYS  28  -3.279  -4.816   1.372
  244   1HD   LYS  28          2HD       LYS  28  -3.259  -7.813   1.975
  245   2HD   LYS  28          3HD       LYS  28  -2.184  -6.578   2.657
  246   1HE   LYS  28          2HE       LYS  28  -4.174  -5.471   3.640
  247   2HE   LYS  28          3HE       LYS  28  -5.183  -6.816   3.061
  248   1HZ   LYS  28          1HZ       LYS  28  -4.108  -8.281   4.484
  249   2HZ   LYS  28          2HZ       LYS  28  -2.826  -7.260   4.732
  250   3HZ   LYS  28          3HZ       LYS  28  -4.275  -6.919   5.411
  251    H    VAL  29           H        VAL  29  -6.100  -3.222  -0.062
  252    HA   VAL  29           HA       VAL  29  -4.061  -1.808  -1.688
  253    HB   VAL  29           HB       VAL  29  -6.980  -1.436  -1.095
  254   1HG1  VAL  29          1HG       VAL  29  -5.074   0.573  -2.300
  255   2HG1  VAL  29          2HG       VAL  29  -6.851   0.718  -2.231
  256   3HG1  VAL  29          3HG       VAL  29  -5.910   0.681  -0.731
  257   1HG2  VAL  29          1HG       VAL  29  -5.461  -1.708  -3.638
  258   2HG2  VAL  29          2HG       VAL  29  -6.821  -2.702  -3.043
  259   3HG2  VAL  29          3HG       VAL  29  -7.109  -1.026  -3.552
  260    H    TYR  30           H        TYR  30  -2.674  -0.739  -0.345
  261    HA   TYR  30           HA       TYR  30  -3.591  -0.011   2.364
  262   1HB   TYR  30          2HB       TYR  30  -1.035  -1.047   1.113
  263   2HB   TYR  30          3HB       TYR  30  -0.966  -0.089   2.553
  264    HD1  TYR  30           HD1      TYR  30  -3.755  -1.662   3.486
  265    HD2  TYR  30           HD2      TYR  30   0.320  -2.592   2.602
  266    HE1  TYR  30           HE1      TYR  30  -3.916  -3.647   4.889
  267    HE2  TYR  30           HE2      TYR  30   0.113  -4.747   3.807
  268    HH   TYR  30           HH       TYR  30  -2.281  -5.134   6.137
  269    H    ASP  31           H        ASP  31  -3.682   2.067   2.741
  270    HA   ASP  31           HA       ASP  31  -2.595   4.077   0.876
  271   1HB   ASP  31          2HB       ASP  31  -4.978   4.294   1.152
  272   2HB   ASP  31          3HB       ASP  31  -4.869   4.098   2.908
  273    H    LEU  32           H        LEU  32  -0.750   4.842   1.642
  274    HA   LEU  32           HA       LEU  32  -0.436   5.032   4.600
  275   1HB   LEU  32          2HB       LEU  32   2.137   4.934   3.301
  276   2HB   LEU  32          3HB       LEU  32   1.448   3.951   4.596
  277    HG   LEU  32           HG       LEU  32   1.026   3.359   1.654
  278   1HD1  LEU  32          1HD       LEU  32   3.315   3.118   2.114
  279   2HD1  LEU  32          2HD       LEU  32   3.009   2.334   3.700
  280   3HD1  LEU  32          3HD       LEU  32   2.635   1.501   2.170
  281   1HD2  LEU  32          1HD       LEU  32   0.756   1.081   3.337
  282   2HD2  LEU  32          2HD       LEU  32  -0.140   2.389   4.139
  283   3HD2  LEU  32          3HD       LEU  32  -0.512   1.980   2.473
  284    H    THR  33           H        THR  33  -1.541   6.960   2.452
  285    HA   THR  33           HA       THR  33   0.296   8.997   1.974
  286    HB   THR  33           HB       THR  33  -2.626   8.704   2.096
  287    HG1  THR  33          1HG       THR  33  -0.865  10.508   0.804
  288   1HG2  THR  33          1HG       THR  33  -3.211  11.040   2.154
  289   2HG2  THR  33          2HG       THR  33  -2.629  10.522   3.722
  290   3HG2  THR  33          3HG       THR  33  -1.545  11.461   2.648
  291    H    LYS  34           H        LYS  34  -1.669   8.602   4.969
  292    HA   LYS  34           HA       LYS  34  -0.299  10.959   6.031
  293   1HB   LYS  34          2HB       LYS  34  -2.781  10.221   6.333
  294   2HB   LYS  34          3HB       LYS  34  -2.188   9.187   7.624
  295   1HG   LYS  34          2HG       LYS  34  -1.274  12.067   7.583
  296   2HG   LYS  34          3HG       LYS  34  -2.978  11.793   7.890
  297   1HD   LYS  34          2HD       LYS  34  -2.617  11.116  10.018
  298   2HD   LYS  34          3HD       LYS  34  -1.387   9.969   9.518
  299   1HE   LYS  34          2HE       LYS  34  -0.029  11.233  10.741
  300   2HE   LYS  34          3HE       LYS  34   0.120  12.165   9.256
  301   1HZ   LYS  34          1HZ       LYS  34  -0.390  13.352  11.442
  302   2HZ   LYS  34          2HZ       LYS  34  -1.265  13.810  10.126
  303   3HZ   LYS  34          3HZ       LYS  34  -1.932  12.820  11.265
  304    H    PHE  35           H        PHE  35   0.706   7.901   5.621
  305    HA   PHE  35           HA       PHE  35   2.237   7.616   8.126
  306   1HB   PHE  35          2HB       PHE  35   0.816   5.749   7.369
  307   2HB   PHE  35          3HB       PHE  35   1.609   5.756   5.821
  308    HD1  PHE  35          1HD       PHE  35   2.582   5.543   9.444
  309    HD2  PHE  35          2HD       PHE  35   3.388   4.253   5.411
  310    HE1  PHE  35          1HE       PHE  35   4.287   3.970  10.285
  311    HE2  PHE  35          2HE       PHE  35   4.961   2.573   6.250
  312    HZ   PHE  35           HZ       PHE  35   5.414   2.412   8.721
  313    H    LEU  36           H        LEU  36   2.453   8.490   4.782
  314    HA   LEU  36           HA       LEU  36   5.092   7.714   4.074
  315   1HB   LEU  36          2HB       LEU  36   3.358  10.235   3.570
  316   2HB   LEU  36          3HB       LEU  36   4.974  10.143   2.908
  317    HG   LEU  36           HG       LEU  36   2.576   8.436   2.221
  318   1HD1  LEU  36          1HD       LEU  36   3.308  10.881   1.265
  319   2HD1  LEU  36          2HD       LEU  36   4.166   9.821   0.132
  320   3HD1  LEU  36          3HD       LEU  36   2.413   9.669   0.350
  321   1HD2  LEU  36          1HD       LEU  36   4.104   6.782   1.978
  322   2HD2  LEU  36          2HD       LEU  36   4.471   7.616   0.455
  323   3HD2  LEU  36          3HD       LEU  36   5.486   7.898   1.854
  324    H    GLU  37           H        GLU  37   4.231  10.812   5.710
  325    HA   GLU  37           HA       GLU  37   7.022  11.191   6.448
  326   1HB   GLU  37          2HB       GLU  37   4.485  12.718   7.161
  327   2HB   GLU  37          3HB       GLU  37   6.127  13.191   7.647
  328   1HG   GLU  37          2HG       GLU  37   6.753  13.072   5.154
  329   2HG   GLU  37          3HG       GLU  37   5.017  13.000   4.824
  330    H    GLU  38           H        GLU  38   5.512   8.783   7.486
  331    HA   GLU  38           HA       GLU  38   6.241   9.060  10.325
  332   1HB   GLU  38          2HB       GLU  38   3.697   8.796   9.225
  333   2HB   GLU  38          3HB       GLU  38   4.100   7.137   9.609
  334   1HG   GLU  38          2HG       GLU  38   4.655   9.131  11.754
  335   2HG   GLU  38          3HG       GLU  38   2.972   8.998  11.263
  336    H    HIS  39           HN       HIS  39   6.360   7.071   7.444
  337    HA   HIS  39           HA       HIS  39   6.856   4.628   8.533
  338   1HB   HIS  39          2HB       HIS  39   6.365   4.981   6.198
  339   2HB   HIS  39          3HB       HIS  39   7.885   5.818   5.939
  340    HD1  HIS  39           HND      HIS  39   9.440   4.322   4.616
  341    HD2  HIS  39           HD       HIS  39   7.006   2.154   7.224
  342    HE1  HIS  39           HE       HIS  39  10.068   1.962   4.289
  343    HA   PRO  40           HA       PRO  40  10.780   5.672  10.382
  344   1HB   PRO  40          2HB       PRO  40  11.374   3.218  11.516
  345   2HB   PRO  40          3HB       PRO  40  10.195   4.396  12.175
  346   1HG   PRO  40          2HG       PRO  40   9.663   1.921  10.575
  347   2HG   PRO  40          3HG       PRO  40   8.721   2.601  11.934
  348   1HD   PRO  40          2HD       PRO  40   8.136   2.839   9.227
  349   2HD   PRO  40          3HD       PRO  40   7.552   3.972  10.490
  350    H    GLY  41           H        GLY  41  11.673   6.055   8.271
  351   1HA   GLY  41          2HA       GLY  41  13.991   4.873   7.520
  352   2HA   GLY  41          3HA       GLY  41  12.781   3.848   6.722
  353    H    GLY  42           H        GLY  42  11.053   5.122   5.414
  354   1HA   GLY  42          2HA       GLY  42  11.850   7.761   4.502
  355   2HA   GLY  42          3HA       GLY  42  12.189   6.514   3.303
  356    H    GLU  43           H        GLU  43  10.094   8.818   3.697
  357    HA   GLU  43           HA       GLU  43   7.623   7.593   3.031
  358   1HB   GLU  43          2HB       GLU  43   6.970   9.796   2.238
  359   2HB   GLU  43          3HB       GLU  43   7.837   9.939   3.763
  360   1HG   GLU  43          2HG       GLU  43   9.027  10.589   1.045
  361   2HG   GLU  43          3HG       GLU  43   8.319  11.749   2.161
  362    H    GLU  44           H        GLU  44  10.366   8.514   1.058
  363    HA   GLU  44           HA       GLU  44   8.832   8.587  -1.430
  364   1HB   GLU  44          2HB       GLU  44  10.970   9.793  -1.298
  365   2HB   GLU  44          3HB       GLU  44  11.843   8.261  -1.238
  366   1HG   GLU  44          2HG       GLU  44  11.975   9.096  -3.496
  367   2HG   GLU  44          3HG       GLU  44  10.961   7.680  -3.527
  368    H    VAL  45           H        VAL  45  10.777   6.027   0.075
  369    HA   VAL  45           HA       VAL  45  10.710   4.125  -2.012
  370    HB   VAL  45           HB       VAL  45  10.656   2.493   0.009
  371   1HG1  VAL  45          1HG       VAL  45  12.767   4.604  -0.510
  372   2HG1  VAL  45          2HG       VAL  45  13.027   3.290   0.660
  373   3HG1  VAL  45          3HG       VAL  45  12.721   2.915  -1.047
  374   1HG2  VAL  45          1HG       VAL  45  11.448   4.798   1.741
  375   2HG2  VAL  45          2HG       VAL  45   9.715   4.541   1.485
  376   3HG2  VAL  45          3HG       VAL  45  10.698   3.248   2.163
  377    H    LEU  46           H        LEU  46   8.141   5.200   0.229
  378    HA   LEU  46           HA       LEU  46   6.421   2.942  -0.398
  379   1HB   LEU  46          2HB       LEU  46   5.767   5.682   0.743
  380   2HB   LEU  46          3HB       LEU  46   4.739   4.245   0.797
  381    HG   LEU  46           HG       LEU  46   7.155   5.019   2.394
  382   1HD1  LEU  46          1HD       LEU  46   5.845   4.543   4.193
  383   2HD1  LEU  46          2HD       LEU  46   4.548   4.861   3.049
  384   3HD1  LEU  46          3HD       LEU  46   5.038   3.181   3.417
  385   1HD2  LEU  46          1HD       LEU  46   7.398   2.616   3.171
  386   2HD2  LEU  46          2HD       LEU  46   6.508   2.130   1.717
  387   3HD2  LEU  46          3HD       LEU  46   8.080   2.967   1.594
  388    H    ARG  47           H        ARG  47   7.139   6.105  -1.788
  389    HA   ARG  47           HA       ARG  47   4.898   5.926  -3.632
  390   1HB   ARG  47          2HB       ARG  47   6.091   8.070  -2.604
  391   2HB   ARG  47          3HB       ARG  47   7.195   7.815  -3.970
  392   1HG   ARG  47          2HG       ARG  47   5.073   7.657  -5.428
  393   2HG   ARG  47          3HG       ARG  47   4.178   8.265  -4.035
  394   1HD   ARG  47          2HD       ARG  47   5.263  10.362  -4.089
  395   2HD   ARG  47          3HD       ARG  47   6.638   9.755  -5.011
  396    HE   ARG  47           HE       ARG  47   4.092  10.680  -6.063
  397   1HH1  ARG  47          2HH       ARG  47   6.914   8.639  -6.665
  398   2HH1  ARG  47          1HH       ARG  47   6.612   8.416  -8.346
  399   1HH2  ARG  47          2HH       ARG  47   3.623  10.381  -8.320
  400   2HH2  ARG  47          1HH       ARG  47   4.779   9.601  -9.342
  401    H    GLU  48           H        GLU  48   8.274   4.784  -3.586
  402    HA   GLU  48           HA       GLU  48   8.655   4.667  -6.410
  403   1HB   GLU  48          2HB       GLU  48   9.854   3.299  -3.983
  404   2HB   GLU  48          3HB       GLU  48  10.149   2.632  -5.559
  405   1HG   GLU  48          2HG       GLU  48  10.685   5.315  -6.012
  406   2HG   GLU  48          3HG       GLU  48  11.194   5.122  -4.333
  407    H    GLN  49           H        GLN  49   6.655   2.832  -4.267
  408    HA   GLN  49           HA       GLN  49   6.045   0.884  -6.458
  409   1HB   GLN  49          2HB       GLN  49   6.083   0.573  -3.457
  410   2HB   GLN  49          3HB       GLN  49   5.565  -0.684  -4.615
  411   1HG   GLN  49          2HG       GLN  49   8.380   0.480  -4.693
  412   2HG   GLN  49          3HG       GLN  49   7.934  -0.861  -3.660
  413   1HE2  GLN  49          1HE       GLN  49   9.677  -1.968  -5.107
  414   2HE2  GLN  49          2HE       GLN  49   9.044  -2.685  -6.572
  415    H    ALA  50           H        ALA  50   4.967   3.568  -5.296
  416    HA   ALA  50           HA       ALA  50   2.375   3.200  -4.274
  417   1HB   ALA  50          1HB       ALA  50   1.820   5.336  -5.617
  418   2HB   ALA  50          2HB       ALA  50   3.057   5.429  -4.366
  419   3HB   ALA  50          3HB       ALA  50   3.534   5.322  -6.088
  420    H    GLY  51           H        GLY  51   0.360   3.019  -5.260
  421   1HA   GLY  51          2HA       GLY  51  -1.099   1.752  -6.427
  422   2HA   GLY  51          3HA       GLY  51  -0.531   2.749  -7.769
  423    H    GLY  52           H        GLY  52   1.682   0.412  -6.186
  424   1HA   GLY  52          2HA       GLY  52   1.527  -1.459  -8.455
  425   2HA   GLY  52          3HA       GLY  52   3.015  -0.583  -8.012
  426    H    ASP  53           H        ASP  53   3.426  -3.201  -7.844
  427    HA   ASP  53           HA       ASP  53   2.374  -4.313  -5.397
  428   1HB   ASP  53          2HB       ASP  53   3.936  -6.234  -6.622
  429   2HB   ASP  53          3HB       ASP  53   2.199  -5.994  -6.778
  430    H    ALA  54           H        ALA  54   3.458  -3.252  -3.782
  431    HA   ALA  54           HA       ALA  54   6.386  -2.985  -3.966
  432   1HB   ALA  54          1HB       ALA  54   6.276  -1.624  -2.127
  433   2HB   ALA  54          2HB       ALA  54   4.653  -1.325  -2.800
  434   3HB   ALA  54          3HB       ALA  54   4.849  -2.412  -1.435
  435    H    THR  55           H        THR  55   4.269  -5.523  -3.154
  436    HA   THR  55           HA       THR  55   5.189  -6.549  -0.805
  437    HB   THR  55           HB       THR  55   4.299  -7.931  -3.394
  438    HG1  THR  55          1HG       THR  55   2.789  -7.170  -1.142
  439   1HG2  THR  55          1HG       THR  55   4.175  -8.739  -0.483
  440   2HG2  THR  55          2HG       THR  55   3.364  -9.606  -1.825
  441   3HG2  THR  55          3HG       THR  55   5.142  -9.531  -1.751
  442    H    GLU  56           H        GLU  56   6.762  -6.741  -4.033
  443    HA   GLU  56           HA       GLU  56   8.656  -8.746  -3.347
  444   1HB   GLU  56          2HB       GLU  56   8.754  -6.352  -5.217
  445   2HB   GLU  56          3HB       GLU  56  10.104  -7.478  -5.038
  446   1HG   GLU  56          2HG       GLU  56   7.774  -9.095  -5.407
  447   2HG   GLU  56          3HG       GLU  56   7.636  -7.782  -6.571
  448    H    ASN  57           H        ASN  57   8.800  -5.162  -2.841
  449    HA   ASN  57           HA       ASN  57  11.430  -5.249  -1.627
  450   1HB   ASN  57          2HB       ASN  57   9.177  -3.220  -1.783
  451   2HB   ASN  57          3HB       ASN  57  10.450  -3.009  -0.588
  452   1HD2  ASN  57          1HD       ASN  57  12.623  -2.516  -1.260
  453   2HD2  ASN  57          2HD       ASN  57  12.917  -2.079  -2.937
  454    H    PHE  58           H        PHE  58   8.306  -4.542  -0.273
  455    HA   PHE  58           HA       PHE  58   8.569  -4.934   2.420
  456   1HB   PHE  58          2HB       PHE  58   6.415  -4.815   1.047
  457   2HB   PHE  58          3HB       PHE  58   6.390  -6.573   1.142
  458    HD1  PHE  58          1HD       PHE  58   6.438  -3.433   3.181
  459    HD2  PHE  58          2HD       PHE  58   5.480  -7.634   3.122
  460    HE1  PHE  58          1HE       PHE  58   5.326  -3.212   5.384
  461    HE2  PHE  58          2HE       PHE  58   4.324  -7.401   5.288
  462    HZ   PHE  58           HZ       PHE  58   4.265  -5.191   6.450
  463    H    GLU  59           H        GLU  59   8.635  -7.854   0.262
  464    HA   GLU  59           HA       GLU  59   9.095  -9.666   2.531
  465   1HB   GLU  59          2HB       GLU  59   8.505  -9.871  -0.377
  466   2HB   GLU  59          3HB       GLU  59   9.652 -11.068   0.179
  467   1HG   GLU  59          2HG       GLU  59   7.032 -10.591   1.640
  468   2HG   GLU  59          3HG       GLU  59   7.164 -11.682   0.259
  469    H    ASP  60           H        ASP  60  11.022  -8.191  -0.105
  470    HA   ASP  60           HA       ASP  60  13.391  -9.659   0.095
  471   1HB   ASP  60          2HB       ASP  60  12.585  -6.978  -0.881
  472   2HB   ASP  60          3HB       ASP  60  14.214  -6.988  -0.251
  473    H    VAL  61           H        VAL  61  12.195  -6.976   2.038
  474    HA   VAL  61           HA       VAL  61  14.534  -7.164   3.853
  475    HB   VAL  61           HB       VAL  61  13.583  -4.980   3.025
  476   1HG1  VAL  61          1HG       VAL  61  11.623  -4.031   4.033
  477   2HG1  VAL  61          2HG       VAL  61  11.153  -5.578   3.314
  478   3HG1  VAL  61          3HG       VAL  61  11.385  -5.448   5.072
  479   1HG2  VAL  61          1HG       VAL  61  13.877  -3.825   5.148
  480   2HG2  VAL  61          2HG       VAL  61  13.676  -5.350   6.043
  481   3HG2  VAL  61          3HG       VAL  61  15.076  -5.124   4.972
  482    H    GLY  62           H        GLY  62  11.023  -7.928   3.789
  483   1HA   GLY  62          2HA       GLY  62  10.326  -9.932   4.848
  484   2HA   GLY  62          3HA       GLY  62  11.442  -9.617   6.188
  485    H    HIS  63           HN       HIS  63  11.005  -6.976   6.710
  486    HA   HIS  63           HA       HIS  63   9.929  -5.721   8.109
  487   1HB   HIS  63          2HB       HIS  63   7.583  -6.507   6.367
  488   2HB   HIS  63          3HB       HIS  63   7.300  -5.561   7.794
  489    HD1  HIS  63           HND      HIS  63   8.982  -5.274   4.419
  490    HD2  HIS  63           HD       HIS  63   7.944  -2.974   7.767
  491    HE1  HIS  63           HE       HIS  63   9.188  -2.845   3.707
  492    H    SER  64           H        SER  64   9.165  -5.778  10.280
  493    HA   SER  64           HA       SER  64   8.619  -8.414  11.371
  494   1HB   SER  64          2HB       SER  64   8.582  -5.633  12.616
  495   2HB   SER  64          3HB       SER  64   8.537  -7.166  13.513
  496    HG   SER  64           HG       SER  64  10.597  -7.612  12.830
  497    H    THR  65           H        THR  65   6.686  -8.575  13.062
  498    HA   THR  65           HA       THR  65   4.289  -8.294  11.608
  499    HB   THR  65           HB       THR  65   4.953  -8.936  14.493
  500    HG1  THR  65          1HG       THR  65   5.588 -10.536  13.132
  501   1HG2  THR  65          1HG       THR  65   2.640  -8.085  14.401
  502   2HG2  THR  65          2HG       THR  65   2.287  -9.196  13.053
  503   3HG2  THR  65          3HG       THR  65   2.681  -9.831  14.673
  504    H    ASP  66           H        ASP  66   5.895  -6.210  14.047
  505    HA   ASP  66           HA       ASP  66   3.787  -4.467  14.639
  506   1HB   ASP  66          2HB       ASP  66   6.679  -4.516  14.871
  507   2HB   ASP  66          3HB       ASP  66   6.209  -2.939  14.249
  508    H    ALA  67           H        ALA  67   5.863  -4.626  11.753
  509    HA   ALA  67           HA       ALA  67   4.688  -2.223  10.563
  510   1HB   ALA  67          1HB       ALA  67   6.414  -4.471   9.476
  511   2HB   ALA  67          2HB       ALA  67   5.793  -3.125   8.488
  512   3HB   ALA  67          3HB       ALA  67   6.900  -2.814   9.855
  513    H    ARG  68           H        ARG  68   4.316  -5.794  10.182
  514    HA   ARG  68           HA       ARG  68   2.613  -6.010   8.078
  515   1HB   ARG  68          2HB       ARG  68   2.687  -7.638  10.502
  516   2HB   ARG  68          3HB       ARG  68   1.433  -7.863   9.275
  517   1HG   ARG  68          2HG       ARG  68   3.028  -7.974   7.463
  518   2HG   ARG  68          3HG       ARG  68   4.357  -7.491   8.526
  519   1HD   ARG  68          2HD       ARG  68   4.769  -9.672   8.539
  520   2HD   ARG  68          3HD       ARG  68   3.566  -9.692   9.853
  521    HE   ARG  68           HE       ARG  68   2.113 -10.004   7.494
  522   1HH1  ARG  68          2HH       ARG  68   4.738 -11.638   9.138
  523   2HH1  ARG  68          1HH       ARG  68   4.489 -13.193   8.431
  524   1HH2  ARG  68          2HH       ARG  68   1.689 -12.097   6.497
  525   2HH2  ARG  68          1HH       ARG  68   2.673 -13.457   6.904
  526    H    GLU  69           H        GLU  69   2.041  -4.845  11.520
  527    HA   GLU  69           HA       GLU  69  -0.830  -4.976  11.753
  528   1HB   GLU  69          2HB       GLU  69   1.352  -3.722  13.457
  529   2HB   GLU  69          3HB       GLU  69  -0.333  -3.506  13.821
  530   1HG   GLU  69          2HG       GLU  69   0.245  -6.337  13.384
  531   2HG   GLU  69          3HG       GLU  69   1.309  -5.641  14.611
  532    H    LEU  70           H        LEU  70   1.453  -2.037  11.452
  533    HA   LEU  70           HA       LEU  70  -0.603  -0.168  11.446
  534   1HB   LEU  70          2HB       LEU  70   2.142  -0.405  10.211
  535   2HB   LEU  70          3HB       LEU  70   1.190   1.045  10.029
  536    HG   LEU  70           HG       LEU  70   1.311   0.150  12.828
  537   1HD1  LEU  70          1HD       LEU  70   3.563  -0.631  12.040
  538   2HD1  LEU  70          2HD       LEU  70   3.922   1.013  11.491
  539   3HD1  LEU  70          3HD       LEU  70   3.658   0.677  13.222
  540   1HD2  LEU  70          1HD       LEU  70   2.271   2.706  11.501
  541   2HD2  LEU  70          2HD       LEU  70   0.572   2.382  11.917
  542   3HD2  LEU  70          3HD       LEU  70   1.803   2.477  13.200
  543    H    SER  71           H        SER  71   0.502  -2.382   8.881
  544    HA   SER  71           HA       SER  71  -0.897  -1.288   6.601
  545   1HB   SER  71          2HB       SER  71  -0.749  -4.187   6.841
  546   2HB   SER  71          3HB       SER  71   0.027  -3.066   5.679
  547    HG   SER  71           HG       SER  71   1.715  -3.861   6.658
  548    H    LYS  72           H        LYS  72  -2.023  -3.190   9.333
  549    HA   LYS  72           HA       LYS  72  -4.561  -3.683   8.133
  550   1HB   LYS  72          2HB       LYS  72  -3.478  -4.732  10.197
  551   2HB   LYS  72          3HB       LYS  72  -4.042  -3.326  11.117
  552   1HG   LYS  72          2HG       LYS  72  -6.264  -3.915  10.949
  553   2HG   LYS  72          3HG       LYS  72  -6.074  -4.624   9.353
  554   1HD   LYS  72          2HD       LYS  72  -6.162  -6.636  10.257
  555   2HD   LYS  72          3HD       LYS  72  -4.579  -6.383  10.970
  556   1HE   LYS  72          2HE       LYS  72  -6.818  -5.127  12.471
  557   2HE   LYS  72          3HE       LYS  72  -6.948  -6.879  12.327
  558   1HZ   LYS  72          1HZ       LYS  72  -4.487  -5.554  13.341
  559   2HZ   LYS  72          2HZ       LYS  72  -5.704  -6.078  14.305
  560   3HZ   LYS  72          3HZ       LYS  72  -4.864  -7.147  13.391
  561    H    THR  73           H        THR  73  -3.360  -0.879  10.091
  562    HA   THR  73           HA       THR  73  -6.001   0.378   9.836
  563    HB   THR  73           HB       THR  73  -4.666   0.660  11.882
  564    HG1  THR  73          1HG       THR  73  -5.414   2.924  10.372
  565   1HG2  THR  73          1HG       THR  73  -2.460   1.087  11.504
  566   2HG2  THR  73          2HG       THR  73  -2.759   1.989  10.010
  567   3HG2  THR  73          3HG       THR  73  -3.037   2.763  11.575
  568    H    PHE  74           H        PHE  74  -3.652  -0.152   7.564
  569    HA   PHE  74           HA       PHE  74  -4.029   2.511   6.238
  570   1HB   PHE  74          2HB       PHE  74  -2.038   0.275   5.768
  571   2HB   PHE  74          3HB       PHE  74  -2.152   1.744   4.830
  572    HD1  PHE  74          1HD       PHE  74   0.375   0.949   5.885
  573    HD2  PHE  74          2HD       PHE  74  -2.767   3.232   7.795
  574    HE1  PHE  74          1HE       PHE  74   2.016   2.008   7.401
  575    HE2  PHE  74          2HE       PHE  74  -1.139   4.112   9.411
  576    HZ   PHE  74           HZ       PHE  74   1.213   3.422   9.253
  577    H    ILE  75           H        ILE  75  -5.118  -0.849   6.230
  578    HA   ILE  75           HA       ILE  75  -5.655  -0.871   3.452
  579    HB   ILE  75           HB       ILE  75  -5.946  -2.649   5.567
  580   1HG1  ILE  75          2HG       ILE  75  -7.119  -2.865   2.779
  581   2HG1  ILE  75          3HG       ILE  75  -5.419  -3.086   3.124
  582   1HG2  ILE  75          1HG       ILE  75  -8.688  -2.242   4.334
  583   2HG2  ILE  75          2HG       ILE  75  -8.239  -3.379   5.627
  584   3HG2  ILE  75          3HG       ILE  75  -8.264  -1.670   5.989
  585   1HD1  ILE  75          1HD       ILE  75  -6.427  -5.271   3.075
  586   2HD1  ILE  75          2HD       ILE  75  -6.002  -4.886   4.767
  587   3HD1  ILE  75          3HD       ILE  75  -7.688  -4.812   4.181
  588    H    ILE  76           H        ILE  76  -7.070   0.075   2.256
  589    HA   ILE  76           HA       ILE  76  -9.392   1.443   3.566
  590    HB   ILE  76           HB       ILE  76  -9.211   3.181   1.792
  591   1HG1  ILE  76          2HG       ILE  76  -6.782   3.378   0.812
  592   2HG1  ILE  76          3HG       ILE  76  -6.644   1.669   1.103
  593   1HG2  ILE  76          1HG       ILE  76  -7.374   4.411   2.811
  594   2HG2  ILE  76          2HG       ILE  76  -8.421   3.639   4.020
  595   3HG2  ILE  76          3HG       ILE  76  -6.833   2.936   3.644
  596   1HD1  ILE  76          1HD       ILE  76  -8.833   3.130  -0.401
  597   2HD1  ILE  76          2HD       ILE  76  -7.385   2.475  -1.149
  598   3HD1  ILE  76          3HD       ILE  76  -8.549   1.353  -0.427
  599    H    GLY  77           H        GLY  77  -8.535  -1.148   1.660
  600   1HA   GLY  77          2HA       GLY  77 -11.070  -1.772   0.739
  601   2HA   GLY  77          3HA       GLY  77 -10.247  -0.910  -0.574
  602    H    GLU  78           H        GLU  78 -10.550  -3.286  -1.499
  603    HA   GLU  78           HA       GLU  78  -7.985  -4.613  -1.180
  604   1HB   GLU  78          2HB       GLU  78 -10.647  -5.909  -0.497
  605   2HB   GLU  78          3HB       GLU  78  -9.359  -6.861  -1.251
  606   1HG   GLU  78          2HG       GLU  78  -7.819  -5.831   0.600
  607   2HG   GLU  78          3HG       GLU  78  -9.326  -5.454   1.437
  608    H    LEU  79           H        LEU  79  -7.657  -6.155  -3.032
  609    HA   LEU  79           HA       LEU  79  -8.354  -4.909  -5.490
  610   1HB   LEU  79          2HB       LEU  79  -6.887  -7.340  -4.518
  611   2HB   LEU  79          3HB       LEU  79  -7.623  -7.503  -6.112
  612    HG   LEU  79           HG       LEU  79  -6.590  -5.485  -6.883
  613   1HD1  LEU  79          1HD       LEU  79  -6.385  -4.267  -4.667
  614   2HD1  LEU  79          2HD       LEU  79  -4.956  -5.275  -4.341
  615   3HD1  LEU  79          3HD       LEU  79  -5.018  -4.183  -5.753
  616   1HD2  LEU  79          1HD       LEU  79  -4.658  -7.449  -5.606
  617   2HD2  LEU  79          2HD       LEU  79  -5.353  -7.551  -7.233
  618   3HD2  LEU  79          3HD       LEU  79  -4.184  -6.269  -6.848
  619    H    HIS  80           H        HIS  80 -10.214  -4.996  -6.604
  620    HA   HIS  80           HA       HIS  80 -12.500  -6.184  -5.773
  621   1HB   HIS  80          2HB       HIS  80 -11.534  -5.364  -8.481
  622   2HB   HIS  80          3HB       HIS  80 -12.933  -6.437  -8.435
  623    HD1  HIS  80           HD1      HIS  80 -14.734  -4.605  -9.108
  624    HD2  HIS  80           HD2      HIS  80 -12.415  -3.785  -5.699
  625    HE1  HIS  80           HE1      HIS  80 -15.821  -2.590  -7.942
  626    HA   PRO  81           HA       PRO  81 -11.740 -10.478  -6.295
  627   1HB   PRO  81          2HB       PRO  81 -14.173 -11.474  -5.417
  628   2HB   PRO  81          3HB       PRO  81 -12.939 -10.790  -4.325
  629   1HG   PRO  81          2HG       PRO  81 -15.432  -9.466  -5.383
  630   2HG   PRO  81          3HG       PRO  81 -14.696  -9.354  -3.753
  631   1HD   PRO  81          2HD       PRO  81 -14.381  -7.468  -5.787
  632   2HD   PRO  81          3HD       PRO  81 -13.237  -7.694  -4.426
  633    H    ASP  82           H        ASP  82 -11.537 -10.070  -8.500
  634    HA   ASP  82           HA       ASP  82 -13.176 -11.732 -10.179
  635   1HB   ASP  82          2HB       ASP  82 -14.644  -9.771 -10.216
  636   2HB   ASP  82          3HB       ASP  82 -13.282  -8.715 -10.618
  637    H    ASP  83           H        ASP  83 -11.015  -8.852 -10.257
  638    HA   ASP  83           HA       ASP  83  -9.480  -9.778 -12.493
  639   1HB   ASP  83          2HB       ASP  83  -9.027  -7.584 -10.437
  640   2HB   ASP  83          3HB       ASP  83  -7.975  -7.860 -11.833
  641    H    ARG  84           H        ARG  84  -9.485 -11.408  -9.705
  642    HA   ARG  84           HA       ARG  84  -6.576 -11.891  -9.785
  643   1HB   ARG  84          2HB       ARG  84  -7.151 -10.045  -8.095
  644   2HB   ARG  84          3HB       ARG  84  -8.019 -11.261  -7.186
  645   1HG   ARG  84          2HG       ARG  84  -5.773 -10.976  -6.277
  646   2HG   ARG  84          3HG       ARG  84  -5.854 -12.586  -6.979
  647   1HD   ARG  84          2HD       ARG  84  -4.974 -10.447  -8.869
  648   2HD   ARG  84          3HD       ARG  84  -3.917 -10.685  -7.474
  649    HE   ARG  84           HE       ARG  84  -4.604 -13.186  -8.725
  650   1HH1  ARG  84          2HH       ARG  84  -2.451 -10.395  -8.920
  651   2HH1  ARG  84          1HH       ARG  84  -1.141 -11.236  -9.663
  652   1HH2  ARG  84          2HH       ARG  84  -2.881 -14.335  -9.818
  653   2HH2  ARG  84          1HH       ARG  84  -1.415 -13.518 -10.214
  654    H    SER  85           H        SER  85  -8.703 -13.373 -10.840
  655    HA   SER  85           HA       SER  85  -9.572 -15.468 -10.854
  656   1HB   SER  85          2HB       SER  85  -7.094 -15.942 -10.095
  657   2HB   SER  85          3HB       SER  85  -7.840 -16.326  -8.533
  658    HG   SER  85           HG       SER  85  -8.919 -17.917  -9.380
  659    H    LYS  86           H        LYS  86 -10.707 -13.318  -9.085
  660    HA   LYS  86           HA       LYS  86 -12.074 -12.992  -7.267
  661   1HB   LYS  86          2HB       LYS  86 -12.890 -15.739  -8.226
  662   2HB   LYS  86          3HB       LYS  86 -13.753 -14.889  -6.924
  663   1HG   LYS  86          2HG       LYS  86 -13.951 -12.936  -8.498
  664   2HG   LYS  86          3HG       LYS  86 -13.373 -13.991  -9.788
  665   1HD   LYS  86          2HD       LYS  86 -15.569 -14.393 -10.103
  666   2HD   LYS  86          3HD       LYS  86 -15.423 -15.505  -8.725
  667   1HE   LYS  86          2HE       LYS  86 -16.352 -13.929  -7.211
  668   2HE   LYS  86          3HE       LYS  86 -15.976 -12.554  -8.260
  669   1HZ   LYS  86          1HZ       LYS  86 -17.972 -14.601  -8.966
  670   2HZ   LYS  86          2HZ       LYS  86 -18.338 -13.166  -8.237
  671   3HZ   LYS  86          3HZ       LYS  86 -17.670 -13.176  -9.738
  672    H    LEU  87           H        LEU  87  -9.389 -13.953  -6.609
  673    HA   LEU  87           HA       LEU  87  -8.198 -14.539  -4.808
  674   1HB   LEU  87          2HB       LEU  87 -10.565 -14.311  -2.977
  675   2HB   LEU  87          3HB       LEU  87  -8.890 -13.839  -2.709
  676    HG   LEU  87           HG       LEU  87 -10.957 -12.412  -4.428
  677   1HD1  LEU  87          1HD       LEU  87 -11.198 -10.849  -2.766
  678   2HD1  LEU  87          2HD       LEU  87 -10.880 -12.280  -1.771
  679   3HD1  LEU  87          3HD       LEU  87  -9.586 -11.113  -2.092
  680   1HD2  LEU  87          1HD       LEU  87  -9.357 -10.710  -4.927
  681   2HD2  LEU  87          2HD       LEU  87  -8.147 -11.405  -3.827
  682   3HD2  LEU  87          3HD       LEU  87  -8.563 -12.248  -5.318
  683    H    SER  88           H        SER  88  -9.743 -16.651  -6.342
  684    HA   SER  88           HA       SER  88  -9.388 -18.838  -4.446
  685   1HB   SER  88          2HB       SER  88 -11.776 -17.948  -4.188
  686   2HB   SER  88          3HB       SER  88 -12.041 -18.396  -5.883
  687    HG   SER  88           HG       SER  88 -11.570 -20.011  -3.629
  688    H    LYS  89           H        LYS  89 -10.278 -20.889  -5.866
  689    HA   LYS  89           HA       LYS  89  -9.919 -20.608  -8.702
  690   1HB   LYS  89          2HB       LYS  89  -7.523 -20.581  -7.894
  691   2HB   LYS  89          3HB       LYS  89  -7.764 -22.178  -7.208
  692   1HG   LYS  89          2HG       LYS  89  -6.597 -22.247  -9.357
  693   2HG   LYS  89          3HG       LYS  89  -8.133 -23.103  -9.488
  694   1HD   LYS  89          2HD       LYS  89  -8.212 -20.194 -10.184
  695   2HD   LYS  89          3HD       LYS  89  -7.236 -21.201 -11.256
  696   1HE   LYS  89          2HE       LYS  89  -9.039 -22.624 -11.823
  697   2HE   LYS  89          3HE       LYS  89 -10.054 -22.052 -10.498
  698   1HZ   LYS  89          1HZ       LYS  89 -10.679 -21.135 -12.650
  699   2HZ   LYS  89          2HZ       LYS  89 -10.258 -19.946 -11.594
  700   3HZ   LYS  89          3HZ       LYS  89  -9.218 -20.384 -12.788
  701    HA   PRO  90           HA       PRO  90 -12.334 -24.220  -7.076
  702   1HB   PRO  90          2HB       PRO  90 -14.840 -23.504  -7.956
  703   2HB   PRO  90          3HB       PRO  90 -14.165 -23.006  -6.380
  704   1HG   PRO  90          2HG       PRO  90 -14.434 -21.392  -8.899
  705   2HG   PRO  90          3HG       PRO  90 -14.560 -20.866  -7.192
  706   1HD   PRO  90          2HD       PRO  90 -12.293 -20.611  -8.868
  707   2HD   PRO  90          3HD       PRO  90 -12.310 -20.441  -7.088
  708    H    MET  91           H        MET  91 -13.855 -25.628  -8.567
  709    HA   MET  91           HA       MET  91 -13.358 -25.458 -11.411
  710   1HB   MET  91          2HB       MET  91 -12.100 -27.579 -11.516
  711   2HB   MET  91          3HB       MET  91 -11.216 -26.380 -10.573
  712   1HG   MET  91          2HG       MET  91 -11.020 -27.968  -8.994
  713   2HG   MET  91          3HG       MET  91 -12.692 -27.621  -8.595
  714   1HE   MET  91          1HE       MET  91 -10.569 -31.115 -10.065
  715   2HE   MET  91          2HE       MET  91 -11.175 -30.488 -11.616
  716   3HE   MET  91          3HE       MET  91 -10.213 -29.442 -10.544
  717    H    GLU  92           H        GLU  92 -14.314 -27.775 -12.331
  718    HA   GLU  92           HA       GLU  92 -16.349 -28.850 -10.558
  719   1HB   GLU  92          2HB       GLU  92 -17.204 -26.740 -11.900
  720   2HB   GLU  92          3HB       GLU  92 -17.219 -27.818 -13.287
  721   1HG   GLU  92          2HG       GLU  92 -18.532 -28.904 -10.827
  722   2HG   GLU  92          3HG       GLU  92 -19.264 -27.428 -11.448
  723    H    THR  93           H        THR  93 -17.338 -30.878 -11.769
  724    HA   THR  93           HA       THR  93 -16.132 -31.821 -14.073
  725    HB   THR  93           HB       THR  93 -14.103 -32.142 -12.717
  726    HG1  THR  93          1HG       THR  93 -15.265 -34.682 -13.131
  727   1HG2  THR  93          1HG       THR  93 -15.690 -34.070 -10.976
  728   2HG2  THR  93          2HG       THR  93 -13.964 -33.672 -10.862
  729   3HG2  THR  93          3HG       THR  93 -15.181 -32.443 -10.472
  730    H    LEU  94           H        LEU  94 -17.043 -33.842 -14.651
  731    HA   LEU  94           HA       LEU  94 -19.491 -34.721 -13.304
  732   1HB   LEU  94          2HB       LEU  94 -19.260 -34.881 -15.751
  733   2HB   LEU  94          3HB       LEU  94 -17.818 -35.896 -15.584
  734    HG   LEU  94           HG       LEU  94 -20.297 -36.845 -14.179
  735   1HD1  LEU  94          1HD       LEU  94 -21.020 -37.918 -16.399
  736   2HD1  LEU  94          2HD       LEU  94 -21.379 -36.196 -16.173
  737   3HD1  LEU  94          3HD       LEU  94 -20.010 -36.690 -17.195
  738   1HD2  LEU  94          1HD       LEU  94 -17.950 -38.047 -14.422
  739   2HD2  LEU  94          2HD       LEU  94 -19.434 -38.978 -14.616
  740   3HD2  LEU  94          3HD       LEU  94 -18.524 -38.448 -16.052
  741    HHA  HEM  95          MHG       HEM  95  11.941  -0.550   8.714
  742    HHB  HEM  95          MHD       HEM  95   5.552  -0.176   9.312
  743    HHC  HEM  95          MHA       HEM  95   4.972  -0.574   2.924
  744    HHD  HEM  95          MHB       HEM  95  11.377  -0.257   2.290
  745   1HMA  HEM  95          1HM       HEM  95   6.447  -0.867  11.305
  746   2HMA  HEM  95          2HM       HEM  95   7.947  -0.800  12.219
  747   3HMA  HEM  95          3HM       HEM  95   7.194   0.699  11.645
  748   1HAA  HEM  95          1HP       HEM  95  11.120  -1.732  10.703
  749   2HAA  HEM  95          2HP       HEM  95  10.101  -1.114  11.982
  750   1HBA  HEM  95          3HP       HEM  95  11.193   0.918  12.091
  751   2HBA  HEM  95          4HP       HEM  95  11.648   0.905  10.385
  752   1HMB  HEM  95          1HM       HEM  95   3.362  -1.080   8.537
  753   2HMB  HEM  95          2HM       HEM  95   3.337   0.681   8.505
  754   3HMB  HEM  95          3HM       HEM  95   2.234  -0.258   7.455
  755    HAB  HEM  95          AHT       HEM  95   2.901   0.002   3.751
  756   1HBB  HEM  95          CHV       HEM  95   2.152  -1.990   5.873
  757   2HBB  HEM  95          THV       HEM  95   1.029  -1.306   4.540
  758   1HMC  HEM  95          1HM       HEM  95   6.689  -0.440  -0.393
  759   2HMC  HEM  95          2HM       HEM  95   6.095  -1.797   0.567
  760   3HMC  HEM  95          3HM       HEM  95   5.435  -0.152   0.791
  761    HAC  HEM  95          AHT       HEM  95  10.501  -0.790   0.223
  762   1HBC  HEM  95          THV       HEM  95   9.827   0.517  -1.661
  763   2HBC  HEM  95          CHV       HEM  95   8.223   0.936  -0.825
  764   1HMD  HEM  95          1HM       HEM  95  13.533   0.858   3.188
  765   2HMD  HEM  95          2HM       HEM  95  14.681  -0.052   4.187
  766   3HMD  HEM  95          3HM       HEM  95  13.686  -0.902   2.989
  767   1HAD  HEM  95          1HP       HEM  95  13.833   0.154   7.890
  768   2HAD  HEM  95          2HP       HEM  95  14.560   0.675   6.394
  769   1HBD  HEM  95          3HP       HEM  95  15.940  -1.067   7.125
  770   2HBD  HEM  95          4HP       HEM  95  14.967  -1.808   5.855
  Start of MODEL   21
    1   1H    ASP   1           H1       ASP   1 -21.245  -1.438   5.071
    2   2H    ASP   1           H2       ASP   1 -22.193  -1.910   6.313
    3   3H    ASP   1           H3       ASP   1 -22.584  -0.519   5.506
    4    HA   ASP   1           HA       ASP   1 -20.724   0.593   6.477
    5   1HB   ASP   1          2HB       ASP   1 -22.532  -1.198   8.122
    6   2HB   ASP   1          3HB       ASP   1 -21.340  -0.209   8.980
    7    H    LYS   2           H        LYS   2 -18.356   0.012   6.106
    8    HA   LYS   2           HA       LYS   2 -17.446  -2.524   7.091
    9   1HB   LYS   2          2HB       LYS   2 -18.673  -2.509   4.442
   10   2HB   LYS   2          3HB       LYS   2 -16.952  -2.826   4.264
   11   1HG   LYS   2          2HG       LYS   2 -17.070  -4.656   5.912
   12   2HG   LYS   2          3HG       LYS   2 -18.772  -4.318   6.192
   13   1HD   LYS   2          2HD       LYS   2 -18.790  -4.708   3.459
   14   2HD   LYS   2          3HD       LYS   2 -17.466  -5.769   3.958
   15   1HE   LYS   2          2HE       LYS   2 -19.332  -7.186   4.180
   16   2HE   LYS   2          3HE       LYS   2 -19.096  -6.582   5.826
   17   1HZ   LYS   2          1HZ       LYS   2 -21.199  -5.957   3.917
   18   2HZ   LYS   2          2HZ       LYS   2 -21.299  -6.201   5.542
   19   3HZ   LYS   2          3HZ       LYS   2 -20.740  -4.767   4.966
   20    H    ASP   3           H        ASP   3 -15.200  -3.027   6.082
   21    HA   ASP   3           HA       ASP   3 -13.685  -0.477   5.878
   22   1HB   ASP   3          2HB       ASP   3 -13.690  -2.344   7.957
   23   2HB   ASP   3          3HB       ASP   3 -12.271  -2.811   7.034
   24    H    VAL   4           H        VAL   4 -14.788  -2.155   3.675
   25    HA   VAL   4           HA       VAL   4 -12.233  -2.903   2.430
   26    HB   VAL   4           HB       VAL   4 -14.611  -4.673   1.955
   27   1HG1  VAL   4          1HG       VAL   4 -11.840  -5.684   2.207
   28   2HG1  VAL   4          2HG       VAL   4 -13.045  -5.953   0.943
   29   3HG1  VAL   4          3HG       VAL   4 -12.062  -4.484   0.922
   30   1HG2  VAL   4          1HG       VAL   4 -14.500  -4.758   4.386
   31   2HG2  VAL   4          2HG       VAL   4 -13.739  -6.215   3.730
   32   3HG2  VAL   4          3HG       VAL   4 -12.724  -4.893   4.338
   33    H    LYS   5           H        LYS   5 -12.357  -0.908   1.272
   34    HA   LYS   5           HA       LYS   5 -14.719  -0.538  -0.469
   35   1HB   LYS   5          2HB       LYS   5 -12.690   1.116   0.763
   36   2HB   LYS   5          3HB       LYS   5 -12.634   1.371  -0.964
   37   1HG   LYS   5          2HG       LYS   5 -15.316   1.406   0.419
   38   2HG   LYS   5          3HG       LYS   5 -14.180   2.717   0.731
   39   1HD   LYS   5          2HD       LYS   5 -15.379   3.568  -1.020
   40   2HD   LYS   5          3HD       LYS   5 -13.949   2.947  -1.824
   41   1HE   LYS   5          2HE       LYS   5 -15.059   1.295  -2.935
   42   2HE   LYS   5          3HE       LYS   5 -16.220   1.032  -1.618
   43   1HZ   LYS   5          1HZ       LYS   5 -16.255   3.461  -3.271
   44   2HZ   LYS   5          2HZ       LYS   5 -17.121   2.117  -3.668
   45   3HZ   LYS   5          3HZ       LYS   5 -17.426   2.910  -2.255
   46    H    TYR   6           H        TYR   6 -14.172  -2.725  -1.336
   47    HA   TYR   6           HA       TYR   6 -12.277  -3.606  -2.961
   48   1HB   TYR   6          2HB       TYR   6 -15.270  -3.457  -3.432
   49   2HB   TYR   6          3HB       TYR   6 -14.191  -4.349  -4.484
   50    HD1  TYR   6           HD1      TYR   6 -15.661  -4.264  -1.070
   51    HD2  TYR   6           HD2      TYR   6 -13.101  -6.410  -3.794
   52    HE1  TYR   6           HE1      TYR   6 -15.810  -6.271   0.367
   53    HE2  TYR   6           HE2      TYR   6 -13.299  -8.445  -2.383
   54    HH   TYR   6           HH       TYR   6 -15.634  -8.881  -0.012
   55    H    TYR   7           H        TYR   7 -10.962  -2.148  -3.996
   56    HA   TYR   7           HA       TYR   7 -12.098  -0.339  -6.000
   57   1HB   TYR   7          2HB       TYR   7  -9.561  -0.501  -4.328
   58   2HB   TYR   7          3HB       TYR   7  -9.556   0.359  -5.796
   59    HD1  TYR   7           HD1      TYR   7 -11.946   1.892  -6.042
   60    HD2  TYR   7           HD2      TYR   7  -9.834   0.867  -2.450
   61    HE1  TYR   7           HE1      TYR   7 -12.795   3.961  -4.969
   62    HE2  TYR   7           HE2      TYR   7 -10.765   2.871  -1.323
   63    HH   TYR   7           HH       TYR   7 -11.697   5.035  -1.796
   64    H    THR   8           H        THR   8 -11.101  -0.205  -8.043
   65    HA   THR   8           HA       THR   8 -10.240  -2.835  -9.072
   66    HB   THR   8           HB       THR   8 -10.612  -1.420 -11.278
   67    HG1  THR   8          1HG       THR   8 -10.663   0.631 -10.225
   68   1HG2  THR   8          1HG       THR   8 -12.442  -2.582  -9.325
   69   2HG2  THR   8          2HG       THR   8 -13.265  -1.434 -10.382
   70   3HG2  THR   8          3HG       THR   8 -12.392  -2.830 -11.077
   71    H    LEU   9           H        LEU   9  -8.284  -3.077 -10.231
   72    HA   LEU   9           HA       LEU   9  -6.042  -1.839  -9.303
   73   1HB   LEU   9          2HB       LEU   9  -6.354  -2.800 -12.176
   74   2HB   LEU   9          3HB       LEU   9  -4.850  -2.542 -11.306
   75    HG   LEU   9           HG       LEU   9  -5.116  -4.823 -11.176
   76   1HD1  LEU   9          1HD       LEU   9  -6.474  -3.893  -8.619
   77   2HD1  LEU   9          2HD       LEU   9  -5.519  -5.367  -8.873
   78   3HD1  LEU   9          3HD       LEU   9  -4.726  -3.780  -8.924
   79   1HD2  LEU   9          1HD       LEU   9  -7.818  -5.124 -10.050
   80   2HD2  LEU   9          2HD       LEU   9  -7.830  -4.420 -11.687
   81   3HD2  LEU   9          3HD       LEU   9  -7.026  -5.950 -11.395
   82    H    GLU  10           H        GLU  10  -7.711  -0.829 -12.288
   83    HA   GLU  10           HA       GLU  10  -6.164   1.347 -13.014
   84   1HB   GLU  10          2HB       GLU  10  -8.953   0.460 -13.412
   85   2HB   GLU  10          3HB       GLU  10  -8.796   2.219 -13.409
   86   1HG   GLU  10          2HG       GLU  10  -6.916   2.018 -15.066
   87   2HG   GLU  10          3HG       GLU  10  -7.220   0.274 -15.143
   88    H    GLU  11           H        GLU  11  -8.667   1.253 -10.509
   89    HA   GLU  11           HA       GLU  11  -8.634   4.048  -9.903
   90   1HB   GLU  11          2HB       GLU  11 -10.473   2.434  -9.207
   91   2HB   GLU  11          3HB       GLU  11  -9.365   1.764  -8.001
   92   1HG   GLU  11          2HG       GLU  11 -10.866   3.453  -7.051
   93   2HG   GLU  11          3HG       GLU  11  -9.173   3.871  -6.856
   94    H    ILE  12           H        ILE  12  -7.027   1.200  -8.253
   95    HA   ILE  12           HA       ILE  12  -5.608   2.796  -6.423
   96    HB   ILE  12           HB       ILE  12  -4.844   0.162  -7.717
   97   1HG1  ILE  12          2HG       ILE  12  -5.657  -0.094  -4.991
   98   2HG1  ILE  12          3HG       ILE  12  -6.810   0.981  -5.717
   99   1HG2  ILE  12          1HG       ILE  12  -3.635   0.187  -5.195
  100   2HG2  ILE  12          2HG       ILE  12  -2.854   0.442  -6.747
  101   3HG2  ILE  12          3HG       ILE  12  -3.409   1.833  -5.760
  102   1HD1  ILE  12          1HD       ILE  12  -6.142  -1.508  -7.265
  103   2HD1  ILE  12          2HD       ILE  12  -7.070  -1.735  -5.810
  104   3HD1  ILE  12          3HD       ILE  12  -7.701  -0.663  -7.015
  105    H    LYS  13           H        LYS  13  -5.059   2.235  -9.844
  106    HA   LYS  13           HA       LYS  13  -2.403   3.528  -9.826
  107   1HB   LYS  13          2HB       LYS  13  -4.097   2.332 -12.039
  108   2HB   LYS  13          3HB       LYS  13  -2.479   2.999 -12.274
  109   1HG   LYS  13          2HG       LYS  13  -1.420   1.203 -11.344
  110   2HG   LYS  13          3HG       LYS  13  -2.574   1.076 -10.029
  111   1HD   LYS  13          2HD       LYS  13  -3.112  -0.866 -11.046
  112   2HD   LYS  13          3HD       LYS  13  -4.175   0.183 -11.988
  113   1HE   LYS  13          2HE       LYS  13  -3.255  -0.531 -13.828
  114   2HE   LYS  13          3HE       LYS  13  -1.812   0.392 -13.374
  115   1HZ   LYS  13          1HZ       LYS  13  -1.139  -1.648 -12.116
  116   2HZ   LYS  13          2HZ       LYS  13  -2.373  -2.457 -12.850
  117   3HZ   LYS  13          3HZ       LYS  13  -1.150  -1.827 -13.756
  118    H    LYS  14           H        LYS  14  -4.934   4.972  -9.043
  119    HA   LYS  14           HA       LYS  14  -4.556   7.288 -10.849
  120   1HB   LYS  14          2HB       LYS  14  -6.949   5.737 -10.328
  121   2HB   LYS  14          3HB       LYS  14  -7.192   7.321  -9.636
  122   1HG   LYS  14          2HG       LYS  14  -7.492   8.226 -11.693
  123   2HG   LYS  14          3HG       LYS  14  -5.990   7.524 -12.319
  124   1HD   LYS  14          2HD       LYS  14  -7.085   5.372 -12.682
  125   2HD   LYS  14          3HD       LYS  14  -8.611   6.003 -12.037
  126   1HE   LYS  14          2HE       LYS  14  -7.504   7.752 -14.121
  127   2HE   LYS  14          3HE       LYS  14  -7.598   6.085 -14.703
  128   1HZ   LYS  14          1HZ       LYS  14  -9.698   6.572 -15.121
  129   2HZ   LYS  14          2HZ       LYS  14  -9.979   6.427 -13.513
  130   3HZ   LYS  14          3HZ       LYS  14  -9.720   7.918 -14.161
  131    H    HIS  15           H        HIS  15  -3.535   6.266  -8.023
  132    HA   HIS  15           HA       HIS  15  -4.251   8.723  -6.521
  133   1HB   HIS  15          2HB       HIS  15  -3.191   5.999  -5.653
  134   2HB   HIS  15          3HB       HIS  15  -3.359   7.353  -4.544
  135    HD1  HIS  15           HD1      HIS  15  -5.862   8.020  -3.787
  136    HD2  HIS  15           HD2      HIS  15  -5.448   4.998  -6.663
  137    HE1  HIS  15           HE1      HIS  15  -8.184   7.012  -4.125
  138    H    ASN  16           H        ASN  16  -1.525   7.543  -5.144
  139    HA   ASN  16           HA       ASN  16   0.580   8.249  -5.044
  140   1HB   ASN  16          2HB       ASN  16   2.008   7.607  -6.903
  141   2HB   ASN  16          3HB       ASN  16   0.768   6.374  -6.583
  142   1HD2  ASN  16          1HD       ASN  16  -1.023   6.121  -7.996
  143   2HD2  ASN  16          2HD       ASN  16  -0.906   6.730  -9.651
  144    H    HIS  17           H        HIS  17  -0.737  10.414  -4.908
  145    HA   HIS  17           HA       HIS  17   0.687  12.296  -6.770
  146   1HB   HIS  17          2HB       HIS  17  -1.300  13.607  -7.094
  147   2HB   HIS  17          3HB       HIS  17  -1.539  11.954  -7.645
  148    HD1  HIS  17           HD1      HIS  17  -2.327  13.934  -4.423
  149    HD2  HIS  17           HD2      HIS  17  -3.828  10.996  -7.008
  150    HE1  HIS  17           HE1      HIS  17  -4.650  13.255  -3.489
  151    H    SER  18           H        SER  18   1.384  11.529  -4.089
  152    HA   SER  18           HA       SER  18   2.335  12.576  -2.293
  153   1HB   SER  18          2HB       SER  18   2.596  14.588  -3.807
  154   2HB   SER  18          3HB       SER  18   1.055  15.201  -3.174
  155    HG   SER  18           HG       SER  18   2.731  16.040  -1.988
  156    H    LYS  19           H        LYS  19  -0.817  14.152  -2.836
  157    HA   LYS  19           HA       LYS  19  -1.727  13.665  -0.121
  158   1HB   LYS  19          2HB       LYS  19  -2.613  15.218  -2.496
  159   2HB   LYS  19          3HB       LYS  19  -3.946  14.477  -1.631
  160   1HG   LYS  19          2HG       LYS  19  -3.672  16.555  -0.625
  161   2HG   LYS  19          3HG       LYS  19  -2.985  15.414   0.529
  162   1HD   LYS  19          2HD       LYS  19  -0.829  16.215   0.252
  163   2HD   LYS  19          3HD       LYS  19  -1.061  16.561  -1.464
  164   1HE   LYS  19          2HE       LYS  19  -1.409  18.713  -1.045
  165   2HE   LYS  19          3HE       LYS  19  -2.853  18.302  -0.121
  166   1HZ   LYS  19          1HZ       LYS  19  -1.358  19.570   1.208
  167   2HZ   LYS  19          2HZ       LYS  19  -1.435  18.050   1.831
  168   3HZ   LYS  19          3HZ       LYS  19  -0.118  18.521   0.959
  169    H    SER  20           H        SER  20  -1.144  11.291  -2.122
  170    HA   SER  20           HA       SER  20  -3.070   9.589  -0.967
  171   1HB   SER  20          2HB       SER  20  -4.469   8.968  -2.645
  172   2HB   SER  20          3HB       SER  20  -4.428  10.717  -2.826
  173    HG   SER  20           HG       SER  20  -4.128   9.979  -4.786
  174    H    THR  21           H        THR  21  -1.748   7.737  -0.687
  175    HA   THR  21           HA       THR  21   0.073   6.956  -2.880
  176    HB   THR  21           HB       THR  21   0.862   7.596  -0.018
  177    HG1  THR  21          1HG       THR  21   1.065   9.285  -1.443
  178   1HG2  THR  21          1HG       THR  21   2.202   5.804  -0.144
  179   2HG2  THR  21          2HG       THR  21   1.901   5.548  -1.886
  180   3HG2  THR  21          3HG       THR  21   3.115   6.713  -1.386
  181    H    TRP  22           H        TRP  22  -1.457   5.399  -3.294
  182    HA   TRP  22           HA       TRP  22  -2.099   3.487  -1.128
  183   1HB   TRP  22          2HB       TRP  22  -3.066   3.919  -3.979
  184   2HB   TRP  22          3HB       TRP  22  -3.470   2.476  -3.050
  185    HD1  TRP  22           HD1      TRP  22  -3.376   5.362  -0.732
  186    HE1  TRP  22           HE1      TRP  22  -5.713   6.114  -0.121
  187    HE3  TRP  22           HE3      TRP  22  -5.921   2.763  -4.288
  188    HZ2  TRP  22           HZ2      TRP  22  -8.388   5.837  -1.240
  189    HZ3  TRP  22           HZ3      TRP  22  -8.365   3.064  -4.557
  190    HH2  TRP  22           HH2      TRP  22  -9.572   4.683  -3.105
  191    H    LEU  23           H        LEU  23  -1.906   1.125  -1.912
  192    HA   LEU  23           HA       LEU  23  -0.008   0.497  -3.952
  193   1HB   LEU  23          2HB       LEU  23   1.767  -0.402  -2.385
  194   2HB   LEU  23          3HB       LEU  23   1.715   1.324  -2.623
  195    HG   LEU  23           HG       LEU  23   0.327   1.422  -0.391
  196   1HD1  LEU  23          1HD       LEU  23  -0.091  -1.035  -0.314
  197   2HD1  LEU  23          2HD       LEU  23   1.648  -1.256  -0.192
  198   3HD1  LEU  23          3HD       LEU  23   0.767  -0.430   1.121
  199   1HD2  LEU  23          1HD       LEU  23   3.127   1.486  -0.957
  200   2HD2  LEU  23          2HD       LEU  23   2.252   2.178   0.393
  201   3HD2  LEU  23          3HD       LEU  23   2.936   0.534   0.517
  202    H    ILE  24           H        ILE  24   0.455  -1.882  -3.886
  203    HA   ILE  24           HA       ILE  24  -1.929  -3.262  -2.762
  204    HB   ILE  24           HB       ILE  24  -0.274  -3.794  -5.294
  205   1HG1  ILE  24          2HG       ILE  24  -3.196  -3.103  -4.903
  206   2HG1  ILE  24          3HG       ILE  24  -1.994  -1.876  -5.215
  207   1HG2  ILE  24          1HG       ILE  24  -0.901  -5.932  -4.243
  208   2HG2  ILE  24          2HG       ILE  24  -2.557  -5.369  -4.002
  209   3HG2  ILE  24          3HG       ILE  24  -1.922  -5.672  -5.640
  210   1HD1  ILE  24          1HD       ILE  24  -2.340  -4.155  -7.172
  211   2HD1  ILE  24          2HD       ILE  24  -3.289  -2.655  -7.246
  212   3HD1  ILE  24          3HD       ILE  24  -1.520  -2.606  -7.388
  213    H    LEU  25           H        LEU  25  -1.040  -4.122  -0.862
  214    HA   LEU  25           HA       LEU  25   1.509  -5.627  -1.117
  215   1HB   LEU  25          2HB       LEU  25   0.318  -3.981   1.115
  216   2HB   LEU  25          3HB       LEU  25   1.385  -5.321   1.527
  217    HG   LEU  25           HG       LEU  25   2.196  -3.216  -0.487
  218   1HD1  LEU  25          1HD       LEU  25   3.256  -2.011   1.267
  219   2HD1  LEU  25          2HD       LEU  25   1.666  -2.396   1.951
  220   3HD1  LEU  25          3HD       LEU  25   3.090  -3.354   2.420
  221   1HD2  LEU  25          1HD       LEU  25   3.710  -5.246   1.172
  222   2HD2  LEU  25          2HD       LEU  25   3.387  -5.303  -0.557
  223   3HD2  LEU  25          3HD       LEU  25   4.427  -4.026   0.091
  224    H    HIS  26           H        HIS  26   0.686  -7.506  -1.808
  225    HA   HIS  26           HA       HIS  26  -0.162  -9.623  -1.531
  226   1HB   HIS  26          2HB       HIS  26  -0.959  -8.917   1.334
  227   2HB   HIS  26          3HB       HIS  26  -0.798 -10.490   0.620
  228    HD1  HIS  26           HD1      HIS  26   1.555 -11.580   0.740
  229    HD2  HIS  26           HD2      HIS  26   1.478  -7.479   1.674
  230    HE1  HIS  26           HE1      HIS  26   3.909 -10.958   1.555
  231    H    HIS  27           H        HIS  27  -1.766  -8.703  -3.140
  232    HA   HIS  27           HA       HIS  27  -3.872  -8.164  -3.844
  233   1HB   HIS  27          2HB       HIS  27  -5.506 -10.050  -3.326
  234   2HB   HIS  27          3HB       HIS  27  -4.007 -10.477  -4.116
  235    HD1  HIS  27           HD1      HIS  27  -6.079 -11.557  -1.308
  236    HD2  HIS  27           HD2      HIS  27  -1.989 -11.450  -2.253
  237    HE1  HIS  27           HE1      HIS  27  -4.906 -13.298   0.205
  238    H    LYS  28           H        LYS  28  -3.456  -6.371  -1.973
  239    HA   LYS  28           HA       LYS  28  -6.079  -5.967  -0.748
  240   1HB   LYS  28          2HB       LYS  28  -3.546  -6.554   0.731
  241   2HB   LYS  28          3HB       LYS  28  -4.486  -5.172   1.321
  242   1HG   LYS  28          2HG       LYS  28  -6.212  -6.432   2.059
  243   2HG   LYS  28          3HG       LYS  28  -6.132  -7.560   0.728
  244   1HD   LYS  28          2HD       LYS  28  -3.974  -8.489   1.853
  245   2HD   LYS  28          3HD       LYS  28  -4.525  -7.608   3.286
  246   1HE   LYS  28          2HE       LYS  28  -6.819  -8.769   2.823
  247   2HE   LYS  28          3HE       LYS  28  -5.916  -9.799   1.701
  248   1HZ   LYS  28          1HZ       LYS  28  -5.439  -9.504   4.595
  249   2HZ   LYS  28          2HZ       LYS  28  -6.018 -10.840   3.829
  250   3HZ   LYS  28          3HZ       LYS  28  -4.459 -10.361   3.585
  251    H    VAL  29           H        VAL  29  -6.300  -3.635  -0.140
  252    HA   VAL  29           HA       VAL  29  -4.460  -1.930  -1.736
  253    HB   VAL  29           HB       VAL  29  -7.385  -2.162  -1.362
  254   1HG1  VAL  29          1HG       VAL  29  -7.572  -0.122  -0.726
  255   2HG1  VAL  29          2HG       VAL  29  -6.019   0.449  -1.421
  256   3HG1  VAL  29          3HG       VAL  29  -7.465   0.293  -2.431
  257   1HG2  VAL  29          1HG       VAL  29  -5.654  -2.162  -3.656
  258   2HG2  VAL  29          2HG       VAL  29  -7.310  -2.838  -3.374
  259   3HG2  VAL  29          3HG       VAL  29  -7.136  -1.180  -3.823
  260    H    TYR  30           H        TYR  30  -3.160  -0.869  -0.325
  261    HA   TYR  30           HA       TYR  30  -4.271  -0.067   2.278
  262   1HB   TYR  30          2HB       TYR  30  -1.525  -0.663   1.190
  263   2HB   TYR  30          3HB       TYR  30  -1.818   0.059   2.741
  264    HD1  TYR  30           HD1      TYR  30  -2.002  -3.034   0.768
  265    HD2  TYR  30           HD2      TYR  30  -2.759  -1.279   4.615
  266    HE1  TYR  30           HE1      TYR  30  -2.138  -5.272   1.796
  267    HE2  TYR  30           HE2      TYR  30  -2.907  -3.603   5.602
  268    HH   TYR  30           HH       TYR  30  -2.459  -6.510   3.696
  269    H    ASP  31           H        ASP  31  -3.332   2.015   3.039
  270    HA   ASP  31           HA       ASP  31  -2.578   3.971   0.970
  271   1HB   ASP  31          2HB       ASP  31  -5.023   4.070   1.275
  272   2HB   ASP  31          3HB       ASP  31  -4.804   4.313   3.017
  273    H    LEU  32           H        LEU  32  -0.668   4.550   1.738
  274    HA   LEU  32           HA       LEU  32  -0.440   4.990   4.684
  275   1HB   LEU  32          2HB       LEU  32   2.134   4.646   3.408
  276   2HB   LEU  32          3HB       LEU  32   1.386   3.833   4.797
  277    HG   LEU  32           HG       LEU  32   0.827   2.943   1.976
  278   1HD1  LEU  32          1HD       LEU  32   3.173   2.729   2.307
  279   2HD1  LEU  32          2HD       LEU  32   2.971   2.147   3.980
  280   3HD1  LEU  32          3HD       LEU  32   2.471   1.125   2.623
  281   1HD2  LEU  32          1HD       LEU  32  -0.683   2.282   3.927
  282   2HD2  LEU  32          2HD       LEU  32   0.098   0.938   3.069
  283   3HD2  LEU  32          3HD       LEU  32   0.720   1.474   4.639
  284    H    THR  33           H        THR  33  -1.555   6.846   2.667
  285    HA   THR  33           HA       THR  33   0.290   8.741   1.844
  286    HB   THR  33           HB       THR  33  -2.652   8.636   2.481
  287    HG1  THR  33          1HG       THR  33  -1.055   9.752   0.437
  288   1HG2  THR  33          1HG       THR  33  -2.197  10.871   3.411
  289   2HG2  THR  33          2HG       THR  33  -1.280  11.289   1.935
  290   3HG2  THR  33          3HG       THR  33  -3.029  10.942   1.859
  291    H    LYS  34           H        LYS  34  -1.626   8.714   4.911
  292    HA   LYS  34           HA       LYS  34  -0.112  11.017   5.876
  293   1HB   LYS  34          2HB       LYS  34  -2.559  10.470   6.390
  294   2HB   LYS  34          3HB       LYS  34  -1.973   9.212   7.472
  295   1HG   LYS  34          2HG       LYS  34  -0.604  11.818   7.888
  296   2HG   LYS  34          3HG       LYS  34  -2.343  11.981   7.998
  297   1HD   LYS  34          2HD       LYS  34  -1.548   9.629   9.511
  298   2HD   LYS  34          3HD       LYS  34  -0.513  10.972   9.975
  299   1HE   LYS  34          2HE       LYS  34  -2.201  12.179  10.905
  300   2HE   LYS  34          3HE       LYS  34  -3.407  11.663   9.719
  301   1HZ   LYS  34          1HZ       LYS  34  -2.424   9.656  11.564
  302   2HZ   LYS  34          2HZ       LYS  34  -3.440  10.797  12.173
  303   3HZ   LYS  34          3HZ       LYS  34  -3.929   9.849  10.917
  304    H    PHE  35           H        PHE  35   0.778   7.871   5.439
  305    HA   PHE  35           HA       PHE  35   2.357   7.603   7.914
  306   1HB   PHE  35          2HB       PHE  35   0.797   5.773   7.078
  307   2HB   PHE  35          3HB       PHE  35   1.819   5.697   5.663
  308    HD1  PHE  35          1HD       PHE  35   2.465   5.764   9.374
  309    HD2  PHE  35          2HD       PHE  35   3.325   3.912   5.577
  310    HE1  PHE  35          1HE       PHE  35   4.080   4.247  10.460
  311    HE2  PHE  35          2HE       PHE  35   4.739   2.286   6.659
  312    HZ   PHE  35           HZ       PHE  35   5.296   2.520   9.108
  313    H    LEU  36           H        LEU  36   2.488   8.499   4.545
  314    HA   LEU  36           HA       LEU  36   5.116   7.710   3.865
  315   1HB   LEU  36          2HB       LEU  36   3.391  10.183   3.213
  316   2HB   LEU  36          3HB       LEU  36   5.026  10.007   2.581
  317    HG   LEU  36           HG       LEU  36   2.595   8.299   1.944
  318   1HD1  LEU  36          1HD       LEU  36   4.051  10.522   0.643
  319   2HD1  LEU  36          2HD       LEU  36   3.691   9.138  -0.412
  320   3HD1  LEU  36          3HD       LEU  36   2.390   9.971   0.458
  321   1HD2  LEU  36          1HD       LEU  36   5.523   7.816   1.409
  322   2HD2  LEU  36          2HD       LEU  36   4.280   6.712   2.067
  323   3HD2  LEU  36          3HD       LEU  36   4.253   7.165   0.364
  324    H    GLU  37           H        GLU  37   4.347  10.781   5.440
  325    HA   GLU  37           HA       GLU  37   7.217  10.917   6.126
  326   1HB   GLU  37          2HB       GLU  37   4.867  12.799   6.509
  327   2HB   GLU  37          3HB       GLU  37   6.517  13.134   7.095
  328   1HG   GLU  37          2HG       GLU  37   7.415  12.959   4.835
  329   2HG   GLU  37          3HG       GLU  37   5.833  12.514   4.184
  330    H    GLU  38           H        GLU  38   5.363   8.811   7.258
  331    HA   GLU  38           HA       GLU  38   6.026   9.236  10.094
  332   1HB   GLU  38          2HB       GLU  38   3.343   9.170   8.954
  333   2HB   GLU  38          3HB       GLU  38   3.562   7.806  10.035
  334   1HG   GLU  38          2HG       GLU  38   4.633   9.819  11.565
  335   2HG   GLU  38          3HG       GLU  38   3.482  10.739  10.596
  336    H    HIS  39           HN       HIS  39   6.779   7.440   7.489
  337    HA   HIS  39           HA       HIS  39   6.481   4.851   8.780
  338   1HB   HIS  39          2HB       HIS  39   5.920   4.852   6.467
  339   2HB   HIS  39          3HB       HIS  39   7.385   5.685   6.041
  340    HD1  HIS  39           HND      HIS  39   9.063   4.292   5.045
  341    HD2  HIS  39           HD       HIS  39   6.673   2.005   7.524
  342    HE1  HIS  39           HE       HIS  39   9.833   1.957   4.701
  343    HA   PRO  40           HA       PRO  40  10.686   5.363  10.238
  344   1HB   PRO  40          2HB       PRO  40  11.010   2.829  11.349
  345   2HB   PRO  40          3HB       PRO  40  10.165   4.197  12.125
  346   1HG   PRO  40          2HG       PRO  40   9.008   1.788  10.823
  347   2HG   PRO  40          3HG       PRO  40   8.325   2.810  12.120
  348   1HD   PRO  40          2HD       PRO  40   7.678   2.857   9.367
  349   2HD   PRO  40          3HD       PRO  40   7.195   4.061  10.601
  350    H    GLY  41           H        GLY  41  11.594   5.600   8.169
  351   1HA   GLY  41          2HA       GLY  41  13.695   4.063   7.483
  352   2HA   GLY  41          3HA       GLY  41  12.380   3.222   6.636
  353    H    GLY  42           H        GLY  42  10.958   4.616   5.271
  354   1HA   GLY  42          2HA       GLY  42  12.119   7.101   4.256
  355   2HA   GLY  42          3HA       GLY  42  12.189   5.736   3.127
  356    H    GLU  43           H        GLU  43  10.773   8.066   2.707
  357    HA   GLU  43           HA       GLU  43   7.932   7.072   2.607
  358   1HB   GLU  43          2HB       GLU  43   7.350   9.367   2.105
  359   2HB   GLU  43          3HB       GLU  43   8.348   9.245   3.561
  360   1HG   GLU  43          2HG       GLU  43  10.128   9.647   1.328
  361   2HG   GLU  43          3HG       GLU  43   8.823  10.809   1.179
  362    H    GLU  44           H        GLU  44  10.643   7.927   0.523
  363    HA   GLU  44           HA       GLU  44   9.028   8.011  -1.908
  364   1HB   GLU  44          2HB       GLU  44  11.335   8.996  -1.775
  365   2HB   GLU  44          3HB       GLU  44  11.966   7.338  -1.650
  366   1HG   GLU  44          2HG       GLU  44  10.397   7.124  -3.944
  367   2HG   GLU  44          3HG       GLU  44  10.855   8.801  -4.028
  368    H    VAL  45           H        VAL  45  10.953   5.409  -0.223
  369    HA   VAL  45           HA       VAL  45  10.354   3.403  -2.153
  370    HB   VAL  45           HB       VAL  45  10.286   1.930  -0.063
  371   1HG1  VAL  45          1HG       VAL  45  12.384   3.070  -1.483
  372   2HG1  VAL  45          2HG       VAL  45  12.865   3.295   0.200
  373   3HG1  VAL  45          3HG       VAL  45  12.468   1.674  -0.400
  374   1HG2  VAL  45          1HG       VAL  45   9.776   4.269   1.348
  375   2HG2  VAL  45          2HG       VAL  45  10.315   2.731   2.032
  376   3HG2  VAL  45          3HG       VAL  45  11.485   4.002   1.663
  377    H    LEU  46           H        LEU  46   8.104   5.251  -0.371
  378    HA   LEU  46           HA       LEU  46   6.076   2.935  -0.718
  379   1HB   LEU  46          2HB       LEU  46   5.619   5.506   0.703
  380   2HB   LEU  46          3HB       LEU  46   4.613   4.041   0.736
  381    HG   LEU  46           HG       LEU  46   7.089   4.817   2.211
  382   1HD1  LEU  46          1HD       LEU  46   4.548   4.377   3.020
  383   2HD1  LEU  46          2HD       LEU  46   5.237   2.747   3.277
  384   3HD1  LEU  46          3HD       LEU  46   5.958   4.158   4.062
  385   1HD2  LEU  46          1HD       LEU  46   8.117   2.887   1.263
  386   2HD2  LEU  46          2HD       LEU  46   7.558   2.382   2.816
  387   3HD2  LEU  46          3HD       LEU  46   6.645   1.946   1.337
  388    H    ARG  47           H        ARG  47   7.107   5.940  -2.001
  389    HA   ARG  47           HA       ARG  47   4.690   6.488  -3.484
  390   1HB   ARG  47          2HB       ARG  47   6.773   8.025  -2.515
  391   2HB   ARG  47          3HB       ARG  47   7.102   7.966  -4.258
  392   1HG   ARG  47          2HG       ARG  47   4.775   8.667  -4.719
  393   2HG   ARG  47          3HG       ARG  47   4.412   8.685  -2.982
  394   1HD   ARG  47          2HD       ARG  47   6.769  10.257  -3.998
  395   2HD   ARG  47          3HD       ARG  47   5.141  10.905  -4.271
  396    HE   ARG  47           HE       ARG  47   5.092  10.257  -1.621
  397   1HH1  ARG  47          2HH       ARG  47   7.290  12.201  -3.567
  398   2HH1  ARG  47          1HH       ARG  47   7.699  13.308  -2.303
  399   1HH2  ARG  47          2HH       ARG  47   5.607  11.749   0.107
  400   2HH2  ARG  47          1HH       ARG  47   6.697  13.042  -0.162
  401    H    GLU  48           H        GLU  48   7.935   5.144  -4.140
  402    HA   GLU  48           HA       GLU  48   7.783   5.097  -7.002
  403   1HB   GLU  48          2HB       GLU  48   9.655   4.450  -4.887
  404   2HB   GLU  48          3HB       GLU  48   9.523   3.047  -5.926
  405   1HG   GLU  48          2HG       GLU  48   9.932   5.767  -7.158
  406   2HG   GLU  48          3HG       GLU  48  11.282   4.882  -6.438
  407    H    GLN  49           H        GLN  49   6.641   2.968  -4.395
  408    HA   GLN  49           HA       GLN  49   5.733   0.966  -6.376
  409   1HB   GLN  49          2HB       GLN  49   5.902   1.106  -3.340
  410   2HB   GLN  49          3HB       GLN  49   5.114  -0.209  -4.228
  411   1HG   GLN  49          2HG       GLN  49   7.426  -0.665  -3.520
  412   2HG   GLN  49          3HG       GLN  49   7.093  -0.924  -5.246
  413   1HE2  GLN  49          1HE       GLN  49   8.876  -0.393  -6.472
  414   2HE2  GLN  49          2HE       GLN  49   9.880   1.010  -6.140
  415    H    ALA  50           H        ALA  50   4.615   3.838  -5.164
  416    HA   ALA  50           HA       ALA  50   2.114   3.380  -4.174
  417   1HB   ALA  50          1HB       ALA  50   2.800   5.548  -6.157
  418   2HB   ALA  50          2HB       ALA  50   1.608   5.624  -4.796
  419   3HB   ALA  50          3HB       ALA  50   3.331   5.535  -4.474
  420    H    GLY  51           H        GLY  51   0.083   2.951  -5.062
  421   1HA   GLY  51          2HA       GLY  51  -1.428   2.049  -6.496
  422   2HA   GLY  51          3HA       GLY  51  -0.769   3.112  -7.748
  423    H    GLY  52           H        GLY  52   1.267   0.676  -6.091
  424   1HA   GLY  52          2HA       GLY  52   1.218  -1.108  -8.431
  425   2HA   GLY  52          3HA       GLY  52   2.705  -0.244  -7.948
  426    H    ASP  53           H        ASP  53   3.031  -2.840  -7.891
  427    HA   ASP  53           HA       ASP  53   2.158  -4.060  -5.369
  428   1HB   ASP  53          2HB       ASP  53   3.282  -4.987  -7.904
  429   2HB   ASP  53          3HB       ASP  53   4.249  -5.552  -6.551
  430    H    ALA  54           H        ALA  54   3.122  -3.491  -3.560
  431    HA   ALA  54           HA       ALA  54   5.997  -2.640  -3.650
  432   1HB   ALA  54          1HB       ALA  54   5.411  -1.039  -2.176
  433   2HB   ALA  54          2HB       ALA  54   3.714  -1.569  -2.266
  434   3HB   ALA  54          3HB       ALA  54   4.805  -2.252  -1.065
  435    H    THR  55           H        THR  55   4.043  -5.385  -3.115
  436    HA   THR  55           HA       THR  55   5.036  -6.480  -0.799
  437    HB   THR  55           HB       THR  55   4.437  -7.962  -3.388
  438    HG1  THR  55          1HG       THR  55   2.584  -6.985  -3.390
  439   1HG2  THR  55          1HG       THR  55   3.243  -8.837  -0.849
  440   2HG2  THR  55          2HG       THR  55   4.128  -9.775  -2.075
  441   3HG2  THR  55          3HG       THR  55   5.012  -8.875  -0.826
  442    H    GLU  56           H        GLU  56   6.572  -6.391  -4.081
  443    HA   GLU  56           HA       GLU  56   8.616  -8.259  -3.593
  444   1HB   GLU  56          2HB       GLU  56   8.565  -5.613  -5.097
  445   2HB   GLU  56          3HB       GLU  56   9.943  -6.706  -5.159
  446   1HG   GLU  56          2HG       GLU  56   8.959  -8.052  -6.670
  447   2HG   GLU  56          3HG       GLU  56   7.528  -8.248  -5.650
  448    H    ASN  57           H        ASN  57   8.338  -4.844  -2.572
  449    HA   ASN  57           HA       ASN  57  11.003  -4.769  -1.457
  450   1HB   ASN  57          2HB       ASN  57   8.770  -2.887  -0.656
  451   2HB   ASN  57          3HB       ASN  57  10.497  -2.608  -0.817
  452   1HD2  ASN  57          1HD       ASN  57  10.880  -1.156  -2.478
  453   2HD2  ASN  57          2HD       ASN  57   9.974  -1.164  -3.981
  454    H    PHE  58           H        PHE  58   7.687  -4.681  -0.197
  455    HA   PHE  58           HA       PHE  58   8.205  -4.837   2.569
  456   1HB   PHE  58          2HB       PHE  58   6.004  -5.056   1.054
  457   2HB   PHE  58          3HB       PHE  58   6.117  -6.735   1.538
  458    HD1  PHE  58          1HD       PHE  58   4.316  -7.043   3.041
  459    HD2  PHE  58          2HD       PHE  58   6.716  -3.492   3.389
  460    HE1  PHE  58          1HE       PHE  58   3.024  -6.343   5.043
  461    HE2  PHE  58          2HE       PHE  58   5.617  -2.970   5.543
  462    HZ   PHE  58           HZ       PHE  58   3.734  -4.338   6.352
  463    H    GLU  59           H        GLU  59   8.369  -7.575   0.346
  464    HA   GLU  59           HA       GLU  59   8.925  -9.549   2.397
  465   1HB   GLU  59          2HB       GLU  59   8.491  -9.469  -0.554
  466   2HB   GLU  59          3HB       GLU  59   9.698 -10.636  -0.075
  467   1HG   GLU  59          2HG       GLU  59   6.969 -10.468   1.257
  468   2HG   GLU  59          3HG       GLU  59   7.302 -11.485  -0.151
  469    H    ASP  60           H        ASP  60  10.882  -8.015  -0.267
  470    HA   ASP  60           HA       ASP  60  13.343  -9.242   0.268
  471   1HB   ASP  60          2HB       ASP  60  12.688  -7.599  -1.596
  472   2HB   ASP  60          3HB       ASP  60  12.970  -6.297  -0.436
  473    H    VAL  61           H        VAL  61  11.742  -6.542   1.791
  474    HA   VAL  61           HA       VAL  61  13.823  -5.671   3.352
  475    HB   VAL  61           HB       VAL  61  10.885  -5.321   3.778
  476   1HG1  VAL  61          1HG       VAL  61  12.250  -5.077   5.980
  477   2HG1  VAL  61          2HG       VAL  61  13.071  -3.724   5.201
  478   3HG1  VAL  61          3HG       VAL  61  11.332  -3.662   5.490
  479   1HG2  VAL  61          1HG       VAL  61  11.208  -3.149   2.821
  480   2HG2  VAL  61          2HG       VAL  61  12.977  -3.244   2.991
  481   3HG2  VAL  61          3HG       VAL  61  12.170  -4.218   1.786
  482    H    GLY  62           H        GLY  62  11.022  -7.804   3.974
  483   1HA   GLY  62          2HA       GLY  62  11.062  -9.825   5.193
  484   2HA   GLY  62          3HA       GLY  62  12.638  -9.391   5.880
  485    H    HIS  63           HN       HIS  63   9.773  -7.318   5.721
  486    HA   HIS  63           HA       HIS  63  10.215  -5.944   7.912
  487   1HB   HIS  63          2HB       HIS  63   7.646  -6.665   6.501
  488   2HB   HIS  63          3HB       HIS  63   7.485  -5.801   8.004
  489    HD1  HIS  63           HND      HIS  63   8.999  -5.293   4.564
  490    HD2  HIS  63           HD       HIS  63   7.796  -3.184   7.984
  491    HE1  HIS  63           HE       HIS  63   9.091  -2.847   3.949
  492    H    SER  64           H        SER  64   9.372  -5.682  10.053
  493    HA   SER  64           HA       SER  64   9.105  -8.059  11.609
  494   1HB   SER  64          2HB       SER  64   8.464  -5.140  12.217
  495   2HB   SER  64          3HB       SER  64   8.685  -6.422  13.426
  496    HG   SER  64           HG       SER  64  10.851  -6.664  12.491
  497    H    THR  65           H        THR  65   7.222  -8.411  13.151
  498    HA   THR  65           HA       THR  65   4.812  -8.677  11.678
  499    HB   THR  65           HB       THR  65   5.643  -9.100  14.573
  500    HG1  THR  65          1HG       THR  65   5.446 -11.325  13.640
  501   1HG2  THR  65          1HG       THR  65   3.650 -10.500  14.805
  502   2HG2  THR  65          2HG       THR  65   3.186  -8.837  14.445
  503   3HG2  THR  65          3HG       THR  65   3.128 -10.059  13.153
  504    H    ASP  66           H        ASP  66   5.850  -6.449  14.343
  505    HA   ASP  66           HA       ASP  66   3.383  -5.219  14.815
  506   1HB   ASP  66          2HB       ASP  66   6.108  -4.798  15.495
  507   2HB   ASP  66          3HB       ASP  66   5.630  -3.302  14.708
  508    H    ALA  67           H        ALA  67   5.651  -4.853  12.189
  509    HA   ALA  67           HA       ALA  67   4.509  -2.497  10.955
  510   1HB   ALA  67          1HB       ALA  67   6.144  -4.270   9.277
  511   2HB   ALA  67          2HB       ALA  67   6.732  -2.685   9.925
  512   3HB   ALA  67          3HB       ALA  67   6.967  -4.017  10.836
  513    H    ARG  68           H        ARG  68   4.131  -6.069  10.604
  514    HA   ARG  68           HA       ARG  68   2.461  -5.922   8.315
  515   1HB   ARG  68          2HB       ARG  68   2.641  -8.005  10.551
  516   2HB   ARG  68          3HB       ARG  68   1.647  -8.227   9.134
  517   1HG   ARG  68          2HG       ARG  68   4.615  -7.572   8.902
  518   2HG   ARG  68          3HG       ARG  68   4.008  -9.225   9.088
  519   1HD   ARG  68          2HD       ARG  68   2.373  -8.307   7.095
  520   2HD   ARG  68          3HD       ARG  68   3.839  -7.349   6.793
  521    HE   ARG  68           HE       ARG  68   4.852  -9.832   7.108
  522   1HH1  ARG  68          2HH       ARG  68   2.243  -8.592   5.087
  523   2HH1  ARG  68          1HH       ARG  68   2.517  -9.675   3.779
  524   1HH2  ARG  68          2HH       ARG  68   5.134 -11.430   5.449
  525   2HH2  ARG  68          1HH       ARG  68   4.104 -11.445   4.075
  526    H    GLU  69           H        GLU  69   1.886  -5.067  11.713
  527    HA   GLU  69           HA       GLU  69  -1.038  -5.470  11.655
  528   1HB   GLU  69          2HB       GLU  69   1.027  -4.715  13.737
  529   2HB   GLU  69          3HB       GLU  69  -0.613  -4.137  13.950
  530   1HG   GLU  69          2HG       GLU  69  -0.891  -6.855  13.236
  531   2HG   GLU  69          3HG       GLU  69   0.474  -6.814  14.352
  532    H    LEU  70           H        LEU  70   1.309  -2.647  11.833
  533    HA   LEU  70           HA       LEU  70  -0.621  -0.639  11.872
  534   1HB   LEU  70          2HB       LEU  70   2.094  -0.966  10.565
  535   2HB   LEU  70          3HB       LEU  70   1.207   0.520  10.458
  536    HG   LEU  70           HG       LEU  70   1.495  -0.602  13.180
  537   1HD1  LEU  70          1HD       LEU  70   3.703  -1.127  12.397
  538   2HD1  LEU  70          2HD       LEU  70   3.849   0.420  11.528
  539   3HD1  LEU  70          3HD       LEU  70   3.859   0.374  13.311
  540   1HD2  LEU  70          1HD       LEU  70   0.586   1.724  12.233
  541   2HD2  LEU  70          2HD       LEU  70   1.399   1.602  13.808
  542   3HD2  LEU  70          3HD       LEU  70   2.303   2.163  12.376
  543    H    SER  71           H        SER  71   0.587  -2.711   9.156
  544    HA   SER  71           HA       SER  71  -0.767  -1.278   7.185
  545   1HB   SER  71          2HB       SER  71  -0.389  -3.041   5.765
  546   2HB   SER  71          3HB       SER  71   0.769  -3.403   7.078
  547    HG   SER  71           HG       SER  71  -0.498  -5.207   6.477
  548    H    LYS  72           H        LYS  72  -2.108  -3.531   9.440
  549    HA   LYS  72           HA       LYS  72  -4.602  -3.944   8.221
  550   1HB   LYS  72          2HB       LYS  72  -3.364  -5.024  10.266
  551   2HB   LYS  72          3HB       LYS  72  -4.223  -3.820  11.237
  552   1HG   LYS  72          2HG       LYS  72  -6.349  -4.732  10.638
  553   2HG   LYS  72          3HG       LYS  72  -5.664  -5.597   9.244
  554   1HD   LYS  72          2HD       LYS  72  -4.298  -6.998  10.807
  555   2HD   LYS  72          3HD       LYS  72  -5.141  -6.258  12.178
  556   1HE   LYS  72          2HE       LYS  72  -6.890  -7.231   9.969
  557   2HE   LYS  72          3HE       LYS  72  -5.950  -8.516  10.734
  558   1HZ   LYS  72          1HZ       LYS  72  -8.273  -7.629  11.658
  559   2HZ   LYS  72          2HZ       LYS  72  -7.130  -8.349  12.603
  560   3HZ   LYS  72          3HZ       LYS  72  -7.249  -6.708  12.560
  561    H    THR  73           H        THR  73  -3.415  -1.118   9.918
  562    HA   THR  73           HA       THR  73  -6.117   0.077  10.027
  563    HB   THR  73           HB       THR  73  -4.187   0.025  11.869
  564    HG1  THR  73          1HG       THR  73  -6.320   0.940  11.970
  565   1HG2  THR  73          1HG       THR  73  -3.732   2.816  10.843
  566   2HG2  THR  73          2HG       THR  73  -2.759   1.844  11.975
  567   3HG2  THR  73          3HG       THR  73  -2.723   1.492  10.248
  568    H    PHE  74           H        PHE  74  -3.830  -0.268   7.778
  569    HA   PHE  74           HA       PHE  74  -4.207   2.364   6.443
  570   1HB   PHE  74          2HB       PHE  74  -2.095   0.202   6.058
  571   2HB   PHE  74          3HB       PHE  74  -2.192   1.747   5.227
  572    HD1  PHE  74          1HD       PHE  74  -2.994   3.184   8.004
  573    HD2  PHE  74          2HD       PHE  74   0.233   0.649   6.643
  574    HE1  PHE  74          1HE       PHE  74  -1.543   4.055   9.788
  575    HE2  PHE  74          2HE       PHE  74   1.721   1.708   8.312
  576    HZ   PHE  74           HZ       PHE  74   0.816   3.282   9.933
  577    H    ILE  75           H        ILE  75  -5.252  -0.961   6.361
  578    HA   ILE  75           HA       ILE  75  -5.513  -1.135   3.530
  579    HB   ILE  75           HB       ILE  75  -5.892  -2.784   5.767
  580   1HG1  ILE  75          2HG       ILE  75  -6.572  -3.458   2.900
  581   2HG1  ILE  75          3HG       ILE  75  -4.935  -3.190   3.432
  582   1HG2  ILE  75          1HG       ILE  75  -8.062  -3.908   5.317
  583   2HG2  ILE  75          2HG       ILE  75  -8.269  -2.278   5.955
  584   3HG2  ILE  75          3HG       ILE  75  -8.514  -2.595   4.219
  585   1HD1  ILE  75          1HD       ILE  75  -5.601  -4.941   5.359
  586   2HD1  ILE  75          2HD       ILE  75  -6.763  -5.461   4.118
  587   3HD1  ILE  75          3HD       ILE  75  -5.022  -5.455   3.776
  588    H    ILE  76           H        ILE  76  -6.657   0.196   2.331
  589    HA   ILE  76           HA       ILE  76  -9.142   1.393   3.472
  590    HB   ILE  76           HB       ILE  76  -9.007   3.042   1.721
  591   1HG1  ILE  76          2HG       ILE  76  -6.574   2.998   0.513
  592   2HG1  ILE  76          3HG       ILE  76  -6.797   1.283   0.661
  593   1HG2  ILE  76          1HG       ILE  76  -7.041   4.231   2.490
  594   2HG2  ILE  76          2HG       ILE  76  -7.841   3.423   3.846
  595   3HG2  ILE  76          3HG       ILE  76  -6.361   2.728   3.160
  596   1HD1  ILE  76          1HD       ILE  76  -8.787   3.294  -0.477
  597   2HD1  ILE  76          2HD       ILE  76  -7.659   2.333  -1.455
  598   3HD1  ILE  76          3HD       ILE  76  -8.965   1.540  -0.563
  599    H    GLY  77           H        GLY  77  -8.274  -1.402   1.882
  600   1HA   GLY  77          2HA       GLY  77 -10.800  -2.172   1.208
  601   2HA   GLY  77          3HA       GLY  77 -10.209  -1.346  -0.253
  602    H    GLU  78           H        GLU  78 -10.481  -3.635  -1.164
  603    HA   GLU  78           HA       GLU  78  -7.856  -4.866  -0.972
  604   1HB   GLU  78          2HB       GLU  78  -8.598  -7.070  -0.623
  605   2HB   GLU  78          3HB       GLU  78  -9.409  -6.099   0.605
  606   1HG   GLU  78          2HG       GLU  78 -11.461  -6.048  -0.869
  607   2HG   GLU  78          3HG       GLU  78 -10.624  -7.112  -2.002
  608    H    LEU  79           H        LEU  79  -7.268  -5.869  -2.947
  609    HA   LEU  79           HA       LEU  79  -8.183  -4.694  -5.310
  610   1HB   LEU  79          2HB       LEU  79  -6.470  -7.024  -4.517
  611   2HB   LEU  79          3HB       LEU  79  -7.226  -7.174  -6.106
  612    HG   LEU  79           HG       LEU  79  -6.386  -5.033  -6.790
  613   1HD1  LEU  79          1HD       LEU  79  -5.258  -3.520  -5.553
  614   2HD1  LEU  79          2HD       LEU  79  -6.169  -4.277  -4.247
  615   3HD1  LEU  79          3HD       LEU  79  -4.529  -4.756  -4.479
  616   1HD2  LEU  79          1HD       LEU  79  -3.927  -5.605  -6.816
  617   2HD2  LEU  79          2HD       LEU  79  -4.255  -6.884  -5.633
  618   3HD2  LEU  79          3HD       LEU  79  -4.958  -6.974  -7.259
  619    H    HIS  80           H        HIS  80  -9.938  -4.979  -6.550
  620    HA   HIS  80           HA       HIS  80 -12.170  -6.259  -5.868
  621   1HB   HIS  80          2HB       HIS  80 -10.996  -5.567  -8.524
  622   2HB   HIS  80          3HB       HIS  80 -12.312  -6.733  -8.572
  623    HD1  HIS  80           HD1      HIS  80 -14.078  -5.067  -9.637
  624    HD2  HIS  80           HD2      HIS  80 -12.300  -3.843  -6.035
  625    HE1  HIS  80           HE1      HIS  80 -15.387  -3.013  -8.835
  626    HA   PRO  81           HA       PRO  81 -11.711 -10.526  -5.886
  627   1HB   PRO  81          2HB       PRO  81 -14.293 -11.408  -6.447
  628   2HB   PRO  81          3HB       PRO  81 -13.737 -10.775  -4.872
  629   1HG   PRO  81          2HG       PRO  81 -15.422  -9.438  -6.941
  630   2HG   PRO  81          3HG       PRO  81 -15.328  -9.138  -5.179
  631   1HD   PRO  81          2HD       PRO  81 -14.109  -7.617  -7.255
  632   2HD   PRO  81          3HD       PRO  81 -13.828  -7.463  -5.503
  633    H    ASP  82           H        ASP  82 -13.412  -9.211  -8.733
  634    HA   ASP  82           HA       ASP  82 -13.264 -11.392 -10.475
  635   1HB   ASP  82          2HB       ASP  82 -14.352  -9.075 -10.785
  636   2HB   ASP  82          3HB       ASP  82 -12.754  -8.488 -11.248
  637    H    ASP  83           H        ASP  83 -10.826  -9.002  -9.549
  638    HA   ASP  83           HA       ASP  83  -8.718 -10.397 -11.114
  639   1HB   ASP  83          2HB       ASP  83  -8.984  -7.574 -10.014
  640   2HB   ASP  83          3HB       ASP  83  -7.430  -8.244 -10.517
  641    H    ARG  84           H        ARG  84  -9.719 -11.703  -8.888
  642    HA   ARG  84           HA       ARG  84  -7.380 -11.392  -7.007
  643   1HB   ARG  84          2HB       ARG  84  -9.590 -10.901  -5.978
  644   2HB   ARG  84          3HB       ARG  84 -10.119 -12.542  -6.398
  645   1HG   ARG  84          2HG       ARG  84  -7.821 -13.131  -5.044
  646   2HG   ARG  84          3HG       ARG  84  -8.256 -11.612  -4.252
  647   1HD   ARG  84          2HD       ARG  84 -10.465 -12.524  -3.686
  648   2HD   ARG  84          3HD       ARG  84 -10.139 -13.970  -4.671
  649    HE   ARG  84           HE       ARG  84  -8.177 -13.493  -2.596
  650   1HH1  ARG  84          2HH       ARG  84 -11.267 -15.026  -3.319
  651   2HH1  ARG  84          1HH       ARG  84 -11.161 -16.226  -2.081
  652   1HH2  ARG  84          2HH       ARG  84  -8.007 -15.070  -0.901
  653   2HH2  ARG  84          1HH       ARG  84  -9.261 -16.229  -0.656
  654    H    SER  85           H        SER  85  -9.532 -13.732  -8.657
  655    HA   SER  85           HA       SER  85  -7.414 -15.804  -8.221
  656   1HB   SER  85          2HB       SER  85  -9.729 -15.987  -7.017
  657   2HB   SER  85          3HB       SER  85 -10.323 -16.496  -8.611
  658    HG   SER  85           HG       SER  85  -9.573 -18.261  -7.348
  659    H    LYS  86           H        LYS  86  -6.944 -14.198 -10.259
  660    HA   LYS  86           HA       LYS  86  -7.446 -15.939 -12.549
  661   1HB   LYS  86          2HB       LYS  86  -9.284 -13.854 -12.216
  662   2HB   LYS  86          3HB       LYS  86  -8.083 -13.135 -13.297
  663   1HG   LYS  86          2HG       LYS  86  -8.274 -15.438 -14.594
  664   2HG   LYS  86          3HG       LYS  86  -9.769 -15.620 -13.669
  665   1HD   LYS  86          2HD       LYS  86 -10.744 -14.452 -15.338
  666   2HD   LYS  86          3HD       LYS  86 -10.018 -13.022 -14.606
  667   1HE   LYS  86          2HE       LYS  86  -8.665 -12.699 -16.372
  668   2HE   LYS  86          3HE       LYS  86  -8.022 -14.340 -16.265
  669   1HZ   LYS  86          1HZ       LYS  86  -9.235 -13.714 -18.366
  670   2HZ   LYS  86          2HZ       LYS  86  -9.682 -15.135 -17.660
  671   3HZ   LYS  86          3HZ       LYS  86 -10.630 -13.799 -17.497
  672    H    LEU  87           H        LEU  87  -6.235 -12.728 -11.554
  673    HA   LEU  87           HA       LEU  87  -4.150 -12.517 -13.466
  674   1HB   LEU  87          2HB       LEU  87  -3.173 -10.868 -11.899
  675   2HB   LEU  87          3HB       LEU  87  -4.895 -10.637 -12.135
  676    HG   LEU  87           HG       LEU  87  -5.194 -12.021  -9.931
  677   1HD1  LEU  87          1HD       LEU  87  -2.285 -11.960 -10.012
  678   2HD1  LEU  87          2HD       LEU  87  -2.848 -11.003  -8.653
  679   3HD1  LEU  87          3HD       LEU  87  -3.366 -12.689  -8.803
  680   1HD2  LEU  87          1HD       LEU  87  -5.673  -9.646 -10.238
  681   2HD2  LEU  87          2HD       LEU  87  -4.995  -9.968  -8.636
  682   3HD2  LEU  87          3HD       LEU  87  -3.983  -9.231  -9.904
  683    H    SER  88           H        SER  88  -1.770 -12.466 -12.663
  684    HA   SER  88           HA       SER  88   0.093 -13.620 -12.164
  685   1HB   SER  88          2HB       SER  88  -0.540 -13.552  -9.848
  686   2HB   SER  88          3HB       SER  88  -1.588 -14.973 -10.032
  687    HG   SER  88           HG       SER  88   0.696 -15.257  -9.264
  688    H    LYS  89           H        LYS  89   0.529 -14.690 -14.073
  689    HA   LYS  89           HA       LYS  89   0.082 -17.480 -13.928
  690   1HB   LYS  89          2HB       LYS  89  -2.015 -16.028 -15.216
  691   2HB   LYS  89          3HB       LYS  89  -1.050 -16.703 -16.524
  692   1HG   LYS  89          2HG       LYS  89  -1.177 -18.879 -14.867
  693   2HG   LYS  89          3HG       LYS  89  -2.654 -18.075 -14.368
  694   1HD   LYS  89          2HD       LYS  89  -3.694 -18.439 -16.399
  695   2HD   LYS  89          3HD       LYS  89  -2.191 -18.381 -17.339
  696   1HE   LYS  89          2HE       LYS  89  -2.566 -20.589 -15.326
  697   2HE   LYS  89          3HE       LYS  89  -3.407 -20.710 -16.878
  698   1HZ   LYS  89          1HZ       LYS  89  -0.997 -21.621 -16.599
  699   2HZ   LYS  89          2HZ       LYS  89  -1.462 -20.906 -18.005
  700   3HZ   LYS  89          3HZ       LYS  89  -0.562 -20.063 -16.928
  701    HA   PRO  90           HA       PRO  90   3.775 -16.828 -16.355
  702   1HB   PRO  90          2HB       PRO  90   4.368 -19.480 -16.965
  703   2HB   PRO  90          3HB       PRO  90   4.727 -18.692 -15.403
  704   1HG   PRO  90          2HG       PRO  90   2.590 -20.666 -16.055
  705   2HG   PRO  90          3HG       PRO  90   3.356 -20.290 -14.482
  706   1HD   PRO  90          2HD       PRO  90   0.828 -19.396 -15.450
  707   2HD   PRO  90          3HD       PRO  90   1.661 -18.866 -13.956
  708    H    MET  91           H        MET  91   4.553 -17.093 -18.596
  709    HA   MET  91           HA       MET  91   3.091 -18.431 -20.614
  710   1HB   MET  91          2HB       MET  91   2.180 -16.436 -21.772
  711   2HB   MET  91          3HB       MET  91   1.402 -16.655 -20.206
  712   1HG   MET  91          2HG       MET  91   2.994 -14.948 -19.239
  713   2HG   MET  91          3HG       MET  91   3.629 -14.693 -20.868
  714   1HE   MET  91          1HE       MET  91   2.005 -11.441 -20.746
  715   2HE   MET  91          2HE       MET  91   3.457 -12.468 -20.775
  716   3HE   MET  91          3HE       MET  91   2.441 -12.322 -22.230
  717    H    GLU  92           H        GLU  92   4.003 -17.700 -22.851
  718    HA   GLU  92           HA       GLU  92   6.232 -15.929 -22.862
  719   1HB   GLU  92          2HB       GLU  92   6.732 -18.812 -22.415
  720   2HB   GLU  92          3HB       GLU  92   7.398 -18.286 -23.956
  721   1HG   GLU  92          2HG       GLU  92   8.252 -16.216 -22.413
  722   2HG   GLU  92          3HG       GLU  92   8.162 -17.474 -21.174
  723    H    THR  93           H        THR  93   7.182 -15.942 -25.138
  724    HA   THR  93           HA       THR  93   5.286 -16.947 -27.179
  725    HB   THR  93           HB       THR  93   6.051 -14.029 -26.781
  726    HG1  THR  93          1HG       THR  93   3.705 -13.899 -26.740
  727   1HG2  THR  93          1HG       THR  93   5.998 -14.773 -29.252
  728   2HG2  THR  93          2HG       THR  93   4.280 -15.124 -29.001
  729   3HG2  THR  93          3HG       THR  93   4.903 -13.468 -28.793
  730    H    LEU  94           H        LEU  94   8.379 -14.964 -26.694
  731    HA   LEU  94           HA       LEU  94   9.708 -16.816 -28.429
  732   1HB   LEU  94          2HB       LEU  94  10.496 -15.301 -30.017
  733   2HB   LEU  94          3HB       LEU  94   8.738 -15.188 -30.071
  734    HG   LEU  94           HG       LEU  94  10.474 -13.159 -28.599
  735   1HD1  LEU  94          1HD       LEU  94  10.235 -13.614 -31.478
  736   2HD1  LEU  94          2HD       LEU  94   9.632 -12.011 -31.054
  737   3HD1  LEU  94          3HD       LEU  94  11.267 -12.485 -30.587
  738   1HD2  LEU  94          1HD       LEU  94   8.617 -11.852 -28.373
  739   2HD2  LEU  94          2HD       LEU  94   7.861 -12.412 -29.882
  740   3HD2  LEU  94          3HD       LEU  94   7.779 -13.399 -28.432
  741    HHA  HEM  95          MHG       HEM  95  11.733  -0.620   8.940
  742    HHB  HEM  95          MHD       HEM  95   5.365  -0.371   9.565
  743    HHC  HEM  95          MHA       HEM  95   4.830  -0.618   3.151
  744    HHD  HEM  95          MHB       HEM  95  11.164  -0.225   2.551
  745   1HMA  HEM  95          1HM       HEM  95   6.653   0.255  11.762
  746   2HMA  HEM  95          2HM       HEM  95   6.491  -1.488  11.637
  747   3HMA  HEM  95          3HM       HEM  95   7.857  -0.821  12.492
  748   1HAA  HEM  95          1HP       HEM  95   9.976  -1.003  12.228
  749   2HAA  HEM  95          2HP       HEM  95  11.154  -0.277  11.149
  750   1HBA  HEM  95          3HP       HEM  95  11.345  -2.582  10.006
  751   2HBA  HEM  95          4HP       HEM  95  10.339  -3.213  11.303
  752   1HMB  HEM  95          1HM       HEM  95   2.066  -0.447   7.661
  753   2HMB  HEM  95          2HM       HEM  95   3.141  -1.425   8.665
  754   3HMB  HEM  95          3HM       HEM  95   3.200   0.321   8.826
  755    HAB  HEM  95          AHT       HEM  95   2.965  -1.070   3.865
  756   1HBB  HEM  95          CHV       HEM  95   2.132  -2.582   5.818
  757   2HBB  HEM  95          THV       HEM  95   0.961  -1.710   4.710
  758   1HMC  HEM  95          1HM       HEM  95   5.341  -1.528   1.280
  759   2HMC  HEM  95          2HM       HEM  95   5.773  -0.032   0.432
  760   3HMC  HEM  95          3HM       HEM  95   6.608  -1.587   0.094
  761    HAC  HEM  95          AHT       HEM  95  10.387  -0.384   0.553
  762   1HBC  HEM  95          THV       HEM  95   9.415   0.293  -1.448
  763   2HBC  HEM  95          CHV       HEM  95   7.712  -0.014  -0.839
  764   1HMD  HEM  95          1HM       HEM  95  13.075   0.827   3.197
  765   2HMD  HEM  95          2HM       HEM  95  14.352   0.510   4.344
  766   3HMD  HEM  95          3HM       HEM  95  13.683  -0.830   3.378
  767   1HAD  HEM  95          1HP       HEM  95  13.634  -0.559   8.117
  768   2HAD  HEM  95          2HP       HEM  95  13.998   0.934   7.273
  769   1HBD  HEM  95          3HP       HEM  95  15.589  -0.142   5.908
  770   2HBD  HEM  95          4HP       HEM  95  14.781  -1.720   6.050
  Start of MODEL   22
    1   1H    ASP   1           H1       ASP   1 -20.354 -11.191  -1.699
    2   2H    ASP   1           H2       ASP   1 -20.287 -11.978  -0.273
    3   3H    ASP   1           H3       ASP   1 -21.668 -12.032  -1.246
    4    HA   ASP   1           HA       ASP   1 -21.468 -10.395   0.829
    5   1HB   ASP   1          2HB       ASP   1 -23.523 -10.379  -0.333
    6   2HB   ASP   1          3HB       ASP   1 -22.933  -8.728  -0.455
    7    H    LYS   2           H        LYS   2 -21.277  -7.657   0.355
    8    HA   LYS   2           HA       LYS   2 -18.449  -7.411  -0.090
    9   1HB   LYS   2          2HB       LYS   2 -18.645  -5.961  -2.114
   10   2HB   LYS   2          3HB       LYS   2 -18.830  -7.670  -2.421
   11   1HG   LYS   2          2HG       LYS   2 -20.973  -7.541  -3.099
   12   2HG   LYS   2          3HG       LYS   2 -21.441  -6.359  -1.896
   13   1HD   LYS   2          2HD       LYS   2 -19.626  -5.032  -3.692
   14   2HD   LYS   2          3HD       LYS   2 -20.754  -5.945  -4.680
   15   1HE   LYS   2          2HE       LYS   2 -21.850  -4.398  -2.326
   16   2HE   LYS   2          3HE       LYS   2 -21.223  -3.463  -3.684
   17   1HZ   LYS   2          1HZ       LYS   2 -23.176  -3.809  -4.622
   18   2HZ   LYS   2          2HZ       LYS   2 -22.753  -5.385  -4.846
   19   3HZ   LYS   2          3HZ       LYS   2 -23.629  -4.962  -3.529
   20    H    ASP   3           H        ASP   3 -18.603  -6.375   1.885
   21    HA   ASP   3           HA       ASP   3 -19.985  -3.739   1.851
   22   1HB   ASP   3          2HB       ASP   3 -20.974  -5.759   3.260
   23   2HB   ASP   3          3HB       ASP   3 -19.686  -5.352   4.388
   24    H    VAL   4           H        VAL   4 -17.393  -3.877   0.912
   25    HA   VAL   4           HA       VAL   4 -15.850  -2.882   3.208
   26    HB   VAL   4           HB       VAL   4 -14.598  -4.583   1.031
   27   1HG1  VAL   4          1HG       VAL   4 -13.461  -4.685   3.726
   28   2HG1  VAL   4          2HG       VAL   4 -12.707  -4.144   2.223
   29   3HG1  VAL   4          3HG       VAL   4 -13.634  -3.005   3.210
   30   1HG2  VAL   4          1HG       VAL   4 -15.701  -5.652   3.644
   31   2HG2  VAL   4          2HG       VAL   4 -16.251  -6.073   2.003
   32   3HG2  VAL   4          3HG       VAL   4 -14.623  -6.518   2.515
   33    H    LYS   5           H        LYS   5 -13.750  -2.826   0.914
   34    HA   LYS   5           HA       LYS   5 -14.663  -0.219  -0.197
   35   1HB   LYS   5          2HB       LYS   5 -12.064  -1.194   0.781
   36   2HB   LYS   5          3HB       LYS   5 -12.081   0.040  -0.486
   37   1HG   LYS   5          2HG       LYS   5 -13.914   0.389   1.916
   38   2HG   LYS   5          3HG       LYS   5 -12.217   0.633   2.198
   39   1HD   LYS   5          2HD       LYS   5 -12.362   2.121   0.006
   40   2HD   LYS   5          3HD       LYS   5 -14.078   2.156   0.372
   41   1HE   LYS   5          2HE       LYS   5 -13.020   2.744   2.819
   42   2HE   LYS   5          3HE       LYS   5 -11.688   3.310   1.803
   43   1HZ   LYS   5          1HZ       LYS   5 -13.314   4.698   0.615
   44   2HZ   LYS   5          2HZ       LYS   5 -14.510   4.156   1.594
   45   3HZ   LYS   5          3HZ       LYS   5 -13.289   5.062   2.226
   46    H    TYR   6           H        TYR   6 -12.774  -3.138  -0.987
   47    HA   TYR   6           HA       TYR   6 -12.142  -3.974  -3.006
   48   1HB   TYR   6          2HB       TYR   6 -15.135  -3.632  -3.053
   49   2HB   TYR   6          3HB       TYR   6 -14.268  -4.423  -4.356
   50    HD1  TYR   6           HD1      TYR   6 -16.003  -5.071  -1.405
   51    HD2  TYR   6           HD2      TYR   6 -12.452  -6.266  -3.550
   52    HE1  TYR   6           HE1      TYR   6 -16.010  -7.257  -0.215
   53    HE2  TYR   6           HE2      TYR   6 -12.484  -8.449  -2.392
   54    HH   TYR   6           HH       TYR   6 -14.204  -9.048   0.398
   55    H    TYR   7           H        TYR   7 -10.707  -2.376  -4.050
   56    HA   TYR   7           HA       TYR   7 -12.133  -0.466  -5.783
   57   1HB   TYR   7          2HB       TYR   7  -9.491  -0.601  -4.329
   58   2HB   TYR   7          3HB       TYR   7  -9.621   0.356  -5.734
   59    HD1  TYR   7           HD1      TYR   7 -12.101   1.796  -5.696
   60    HD2  TYR   7           HD2      TYR   7  -9.641   0.614  -2.359
   61    HE1  TYR   7           HE1      TYR   7 -13.042   3.653  -4.362
   62    HE2  TYR   7           HE2      TYR   7 -10.580   2.470  -1.037
   63    HH   TYR   7           HH       TYR   7 -11.829   4.296  -1.056
   64    H    THR   8           H        THR   8 -11.250  -0.121  -7.918
   65    HA   THR   8           HA       THR   8 -10.445  -2.694  -9.109
   66    HB   THR   8           HB       THR   8 -11.065  -1.473 -11.216
   67    HG1  THR   8          1HG       THR   8 -12.231   0.565 -10.779
   68   1HG2  THR   8          1HG       THR   8 -13.255  -1.082  -9.146
   69   2HG2  THR   8          2HG       THR   8 -13.408  -1.617 -10.843
   70   3HG2  THR   8          3HG       THR   8 -12.665  -2.684  -9.647
   71    H    LEU   9           H        LEU   9  -8.553  -2.854 -10.378
   72    HA   LEU   9           HA       LEU   9  -6.296  -1.528  -9.545
   73   1HB   LEU   9          2HB       LEU   9  -6.710  -2.475 -12.404
   74   2HB   LEU   9          3HB       LEU   9  -5.179  -2.114 -11.618
   75    HG   LEU   9           HG       LEU   9  -5.276  -4.408 -11.478
   76   1HD1  LEU   9          1HD       LEU   9  -5.485  -4.982  -9.169
   77   2HD1  LEU   9          2HD       LEU   9  -4.844  -3.330  -9.245
   78   3HD1  LEU   9          3HD       LEU   9  -6.552  -3.607  -8.828
   79   1HD2  LEU   9          1HD       LEU   9  -7.853  -4.970 -10.235
   80   2HD2  LEU   9          2HD       LEU   9  -8.072  -4.121 -11.785
   81   3HD2  LEU   9          3HD       LEU   9  -7.136  -5.599 -11.727
   82    H    GLU  10           H        GLU  10  -8.343  -0.507 -12.309
   83    HA   GLU  10           HA       GLU  10  -6.905   1.713 -13.174
   84   1HB   GLU  10          2HB       GLU  10  -9.433   0.641 -13.639
   85   2HB   GLU  10          3HB       GLU  10  -9.765   2.260 -12.998
   86   1HG   GLU  10          2HG       GLU  10  -7.952   3.099 -14.647
   87   2HG   GLU  10          3HG       GLU  10  -8.035   1.493 -15.384
   88    H    GLU  11           H        GLU  11  -9.040   1.507 -10.331
   89    HA   GLU  11           HA       GLU  11  -8.763   4.287  -9.649
   90   1HB   GLU  11          2HB       GLU  11 -10.676   2.850  -8.896
   91   2HB   GLU  11          3HB       GLU  11  -9.560   1.870  -7.947
   92   1HG   GLU  11          2HG       GLU  11 -10.535   3.331  -6.432
   93   2HG   GLU  11          3HG       GLU  11  -8.907   3.871  -6.664
   94    H    ILE  12           H        ILE  12  -7.175   1.242  -8.364
   95    HA   ILE  12           HA       ILE  12  -5.574   2.641  -6.535
   96    HB   ILE  12           HB       ILE  12  -5.102   0.047  -8.043
   97   1HG1  ILE  12          2HG       ILE  12  -5.621  -0.155  -5.219
   98   2HG1  ILE  12          3HG       ILE  12  -6.810   0.932  -5.881
   99   1HG2  ILE  12          1HG       ILE  12  -2.928   0.825  -7.236
  100   2HG2  ILE  12          2HG       ILE  12  -3.614   1.121  -5.613
  101   3HG2  ILE  12          3HG       ILE  12  -3.509  -0.527  -6.274
  102   1HD1  ILE  12          1HD       ILE  12  -7.178  -0.838  -7.683
  103   2HD1  ILE  12          2HD       ILE  12  -6.228  -1.934  -6.755
  104   3HD1  ILE  12          3HD       ILE  12  -7.757  -1.293  -6.080
  105    H    LYS  13           H        LYS  13  -4.980   2.000  -9.909
  106    HA   LYS  13           HA       LYS  13  -2.317   3.199  -9.958
  107   1HB   LYS  13          2HB       LYS  13  -2.208   2.451 -12.246
  108   2HB   LYS  13          3HB       LYS  13  -2.885   1.147 -11.264
  109   1HG   LYS  13          2HG       LYS  13  -5.183   2.157 -12.025
  110   2HG   LYS  13          3HG       LYS  13  -4.302   2.940 -13.279
  111   1HD   LYS  13          2HD       LYS  13  -3.609   0.056 -13.054
  112   2HD   LYS  13          3HD       LYS  13  -5.305   0.325 -13.385
  113   1HE   LYS  13          2HE       LYS  13  -3.786   2.166 -15.003
  114   2HE   LYS  13          3HE       LYS  13  -3.065   0.568 -15.185
  115   1HZ   LYS  13          1HZ       LYS  13  -4.949  -0.226 -16.159
  116   2HZ   LYS  13          2HZ       LYS  13  -5.972   0.796 -15.371
  117   3HZ   LYS  13          3HZ       LYS  13  -5.083   1.347 -16.629
  118    H    LYS  14           H        LYS  14  -4.487   4.808  -9.077
  119    HA   LYS  14           HA       LYS  14  -4.272   6.983 -11.103
  120   1HB   LYS  14          2HB       LYS  14  -6.580   5.957 -10.977
  121   2HB   LYS  14          3HB       LYS  14  -6.620   6.417  -9.269
  122   1HG   LYS  14          2HG       LYS  14  -6.022   8.815 -10.249
  123   2HG   LYS  14          3HG       LYS  14  -6.792   8.149 -11.698
  124   1HD   LYS  14          2HD       LYS  14  -8.860   7.806 -10.552
  125   2HD   LYS  14          3HD       LYS  14  -8.113   7.915  -8.955
  126   1HE   LYS  14          2HE       LYS  14  -8.272  10.131  -8.851
  127   2HE   LYS  14          3HE       LYS  14  -7.496  10.319 -10.427
  128   1HZ   LYS  14          1HZ       LYS  14  -9.613  11.201 -10.674
  129   2HZ   LYS  14          2HZ       LYS  14  -9.734   9.708 -11.363
  130   3HZ   LYS  14          3HZ       LYS  14 -10.354   9.964  -9.861
  131    H    HIS  15           H        HIS  15  -4.541   6.050  -7.583
  132    HA   HIS  15           HA       HIS  15  -3.594   8.770  -6.931
  133   1HB   HIS  15          2HB       HIS  15  -4.337   7.028  -4.729
  134   2HB   HIS  15          3HB       HIS  15  -4.766   8.705  -5.082
  135    HD1  HIS  15           HD1      HIS  15  -7.220   9.078  -5.929
  136    HD2  HIS  15           HD2      HIS  15  -5.872   5.083  -5.953
  137    HE1  HIS  15           HE1      HIS  15  -9.249   7.586  -6.518
  138    H    ASN  16           H        ASN  16  -1.522   8.539  -7.408
  139    HA   ASN  16           HA       ASN  16   0.099   6.866  -5.584
  140   1HB   ASN  16          2HB       ASN  16   1.671   6.389  -7.533
  141   2HB   ASN  16          3HB       ASN  16   0.094   5.600  -7.620
  142   1HD2  ASN  16          1HD       ASN  16   0.361   5.375  -9.907
  143   2HD2  ASN  16          2HD       ASN  16   0.130   6.768 -10.958
  144    H    HIS  17           H        HIS  17  -0.561   9.624  -5.361
  145    HA   HIS  17           HA       HIS  17   2.119  10.851  -5.761
  146   1HB   HIS  17          2HB       HIS  17   0.847  13.026  -6.153
  147   2HB   HIS  17          3HB       HIS  17   0.844  11.854  -7.460
  148    HD1  HIS  17           HD1      HIS  17  -1.518  13.661  -5.139
  149    HD2  HIS  17           HD2      HIS  17  -1.524  10.521  -7.949
  150    HE1  HIS  17           HE1      HIS  17  -3.970  13.160  -5.692
  151    H    SER  18           H        SER  18   2.018  13.058  -4.360
  152    HA   SER  18           HA       SER  18   1.864  12.139  -1.638
  153   1HB   SER  18          2HB       SER  18   2.400  14.890  -2.832
  154   2HB   SER  18          3HB       SER  18   2.633  14.423  -1.133
  155    HG   SER  18           HG       SER  18   4.543  13.956  -1.933
  156    H    LYS  19           H        LYS  19  -0.449  11.594  -1.755
  157    HA   LYS  19           HA       LYS  19  -2.065  13.406  -0.337
  158   1HB   LYS  19          2HB       LYS  19  -2.235  14.634  -2.459
  159   2HB   LYS  19          3HB       LYS  19  -2.766  13.176  -3.300
  160   1HG   LYS  19          2HG       LYS  19  -4.887  13.306  -2.467
  161   2HG   LYS  19          3HG       LYS  19  -4.345  13.870  -0.888
  162   1HD   LYS  19          2HD       LYS  19  -3.788  16.021  -2.711
  163   2HD   LYS  19          3HD       LYS  19  -5.392  15.404  -3.105
  164   1HE   LYS  19          2HE       LYS  19  -5.379  15.410  -0.304
  165   2HE   LYS  19          3HE       LYS  19  -4.395  16.824  -0.687
  166   1HZ   LYS  19          1HZ       LYS  19  -6.831  17.210  -0.504
  167   2HZ   LYS  19          2HZ       LYS  19  -6.190  17.712  -1.939
  168   3HZ   LYS  19          3HZ       LYS  19  -7.052  16.308  -1.859
  169    H    SER  20           H        SER  20  -1.961  10.627  -2.615
  170    HA   SER  20           HA       SER  20  -3.444   9.012  -0.647
  171   1HB   SER  20          2HB       SER  20  -4.484   9.889  -3.319
  172   2HB   SER  20          3HB       SER  20  -4.731   8.189  -2.881
  173    HG   SER  20           HG       SER  20  -5.678   8.918  -0.938
  174    H    THR  21           H        THR  21  -0.814   8.813  -0.954
  175    HA   THR  21           HA       THR  21   0.226   7.070  -2.927
  176    HB   THR  21           HB       THR  21   0.942   7.816  -0.087
  177    HG1  THR  21          1HG       THR  21   1.175   9.155  -2.041
  178   1HG2  THR  21          1HG       THR  21   2.196   5.958   0.115
  179   2HG2  THR  21          2HG       THR  21   1.969   5.474  -1.579
  180   3HG2  THR  21          3HG       THR  21   3.226   6.643  -1.161
  181    H    TRP  22           H        TRP  22  -1.501   5.648  -3.343
  182    HA   TRP  22           HA       TRP  22  -2.094   3.629  -1.286
  183   1HB   TRP  22          2HB       TRP  22  -3.035   4.275  -4.096
  184   2HB   TRP  22          3HB       TRP  22  -3.369   2.705  -3.388
  185    HD1  TRP  22           HD1      TRP  22  -3.449   5.348  -0.777
  186    HE1  TRP  22           HE1      TRP  22  -5.841   5.851  -0.079
  187    HE3  TRP  22           HE3      TRP  22  -5.787   2.868  -4.506
  188    HZ2  TRP  22           HZ2      TRP  22  -8.516   5.423  -1.228
  189    HZ3  TRP  22           HZ3      TRP  22  -8.268   2.909  -4.725
  190    HH2  TRP  22           HH2      TRP  22  -9.615   4.245  -3.147
  191    H    LEU  23           H        LEU  23  -1.958   1.306  -2.178
  192    HA   LEU  23           HA       LEU  23  -0.045   0.633  -4.145
  193   1HB   LEU  23          2HB       LEU  23   1.744  -0.267  -2.577
  194   2HB   LEU  23          3HB       LEU  23   1.710   1.452  -2.842
  195    HG   LEU  23           HG       LEU  23   0.303   1.584  -0.605
  196   1HD1  LEU  23          1HD       LEU  23  -0.004  -0.945  -0.584
  197   2HD1  LEU  23          2HD       LEU  23   1.711  -1.027  -0.292
  198   3HD1  LEU  23          3HD       LEU  23   0.663  -0.231   0.909
  199   1HD2  LEU  23          1HD       LEU  23   2.264   2.465  -0.041
  200   2HD2  LEU  23          2HD       LEU  23   2.829   0.832   0.417
  201   3HD2  LEU  23          3HD       LEU  23   3.163   1.480  -1.181
  202    H    ILE  24           H        ILE  24   0.411  -1.737  -3.990
  203    HA   ILE  24           HA       ILE  24  -1.964  -3.121  -2.905
  204    HB   ILE  24           HB       ILE  24  -0.312  -3.729  -5.428
  205   1HG1  ILE  24          2HG       ILE  24  -3.173  -2.817  -5.128
  206   2HG1  ILE  24          3HG       ILE  24  -1.863  -1.699  -5.426
  207   1HG2  ILE  24          1HG       ILE  24  -1.110  -5.812  -4.467
  208   2HG2  ILE  24          2HG       ILE  24  -2.678  -5.093  -4.063
  209   3HG2  ILE  24          3HG       ILE  24  -2.232  -5.406  -5.754
  210   1HD1  ILE  24          1HD       ILE  24  -2.183  -3.990  -7.362
  211   2HD1  ILE  24          2HD       ILE  24  -3.191  -2.541  -7.498
  212   3HD1  ILE  24          3HD       ILE  24  -1.423  -2.408  -7.572
  213    H    LEU  25           H        LEU  25  -1.006  -3.840  -0.997
  214    HA   LEU  25           HA       LEU  25   1.500  -5.396  -1.241
  215   1HB   LEU  25          2HB       LEU  25   0.326  -3.770   0.981
  216   2HB   LEU  25          3HB       LEU  25   1.393  -5.125   1.379
  217    HG   LEU  25           HG       LEU  25   2.188  -2.993  -0.620
  218   1HD1  LEU  25          1HD       LEU  25   1.664  -2.207   1.861
  219   2HD1  LEU  25          2HD       LEU  25   3.144  -3.094   2.269
  220   3HD1  LEU  25          3HD       LEU  25   3.201  -1.740   1.125
  221   1HD2  LEU  25          1HD       LEU  25   4.431  -3.777  -0.153
  222   2HD2  LEU  25          2HD       LEU  25   3.808  -4.941   1.038
  223   3HD2  LEU  25          3HD       LEU  25   3.385  -5.104  -0.662
  224    H    HIS  26           H        HIS  26   0.801  -7.336  -1.876
  225    HA   HIS  26           HA       HIS  26   0.030  -9.454  -1.578
  226   1HB   HIS  26          2HB       HIS  26  -0.835  -8.644   1.240
  227   2HB   HIS  26          3HB       HIS  26  -0.649 -10.245   0.602
  228    HD1  HIS  26           HD1      HIS  26   1.219 -11.046   2.192
  229    HD2  HIS  26           HD2      HIS  26   2.126  -7.426   0.231
  230    HE1  HIS  26           HE1      HIS  26   3.673 -10.498   2.677
  231    H    HIS  27           H        HIS  27  -1.536  -8.442  -3.242
  232    HA   HIS  27           HA       HIS  27  -3.586  -8.045  -4.066
  233   1HB   HIS  27          2HB       HIS  27  -5.215  -9.980  -3.618
  234   2HB   HIS  27          3HB       HIS  27  -3.672 -10.362  -4.351
  235    HD1  HIS  27           HD1      HIS  27  -1.773 -11.418  -2.614
  236    HD2  HIS  27           HD2      HIS  27  -5.793 -11.331  -1.378
  237    HE1  HIS  27           HE1      HIS  27  -1.960 -13.025  -0.632
  238    H    LYS  28           H        LYS  28  -3.294  -6.241  -2.197
  239    HA   LYS  28           HA       LYS  28  -5.954  -6.017  -1.078
  240   1HB   LYS  28          2HB       LYS  28  -3.590  -6.614   0.586
  241   2HB   LYS  28          3HB       LYS  28  -4.323  -5.071   1.014
  242   1HG   LYS  28          2HG       LYS  28  -5.720  -6.343   2.291
  243   2HG   LYS  28          3HG       LYS  28  -6.590  -6.457   0.815
  244   1HD   LYS  28          2HD       LYS  28  -6.541  -8.668   1.339
  245   2HD   LYS  28          3HD       LYS  28  -5.005  -8.634   0.488
  246   1HE   LYS  28          2HE       LYS  28  -5.326  -8.239   3.492
  247   2HE   LYS  28          3HE       LYS  28  -4.933  -9.781   2.711
  248   1HZ   LYS  28          1HZ       LYS  28  -2.911  -8.854   3.335
  249   2HZ   LYS  28          2HZ       LYS  28  -3.007  -8.557   1.706
  250   3HZ   LYS  28          3HZ       LYS  28  -3.305  -7.347   2.785
  251    H    VAL  29           H        VAL  29  -6.172  -3.608  -0.123
  252    HA   VAL  29           HA       VAL  29  -4.498  -1.851  -1.836
  253    HB   VAL  29           HB       VAL  29  -7.391  -2.131  -1.290
  254   1HG1  VAL  29          1HG       VAL  29  -7.369   0.341  -2.454
  255   2HG1  VAL  29          2HG       VAL  29  -7.609  -0.075  -0.737
  256   3HG1  VAL  29          3HG       VAL  29  -6.011   0.455  -1.334
  257   1HG2  VAL  29          1HG       VAL  29  -6.785  -3.052  -3.305
  258   2HG2  VAL  29          2HG       VAL  29  -7.658  -1.555  -3.635
  259   3HG2  VAL  29          3HG       VAL  29  -5.875  -1.601  -3.759
  260    H    TYR  30           H        TYR  30  -3.214  -0.676  -0.541
  261    HA   TYR  30           HA       TYR  30  -4.080  -0.033   2.210
  262   1HB   TYR  30          2HB       TYR  30  -1.515  -0.683   0.791
  263   2HB   TYR  30          3HB       TYR  30  -1.499   0.144   2.316
  264    HD1  TYR  30           HD1      TYR  30  -2.195  -3.049   0.606
  265    HD2  TYR  30           HD2      TYR  30  -2.088  -1.010   4.373
  266    HE1  TYR  30           HE1      TYR  30  -2.222  -5.217   1.816
  267    HE2  TYR  30           HE2      TYR  30  -2.131  -3.234   5.543
  268    HH   TYR  30           HH       TYR  30  -1.592  -6.238   3.882
  269    H    ASP  31           H        ASP  31  -3.137   2.015   2.968
  270    HA   ASP  31           HA       ASP  31  -2.485   4.016   0.907
  271   1HB   ASP  31          2HB       ASP  31  -4.908   4.065   1.336
  272   2HB   ASP  31          3HB       ASP  31  -4.629   4.333   3.053
  273    H    LEU  32           H        LEU  32  -0.537   4.601   1.595
  274    HA   LEU  32           HA       LEU  32  -0.187   4.997   4.537
  275   1HB   LEU  32          2HB       LEU  32   2.314   4.858   3.106
  276   2HB   LEU  32          3HB       LEU  32   1.706   3.952   4.490
  277    HG   LEU  32           HG       LEU  32   1.145   3.202   1.632
  278   1HD1  LEU  32          1HD       LEU  32   3.301   2.509   3.627
  279   2HD1  LEU  32          2HD       LEU  32   2.784   1.286   2.478
  280   3HD1  LEU  32          3HD       LEU  32   3.423   2.837   1.886
  281   1HD2  LEU  32          1HD       LEU  32   0.172   2.271   4.264
  282   2HD2  LEU  32          2HD       LEU  32  -0.496   2.041   2.648
  283   3HD2  LEU  32          3HD       LEU  32   0.774   0.962   3.219
  284    H    THR  33           H        THR  33  -1.465   6.809   2.586
  285    HA   THR  33           HA       THR  33   0.308   8.926   1.906
  286    HB   THR  33           HB       THR  33  -2.586   8.478   2.019
  287    HG1  THR  33          1HG       THR  33  -0.929  10.349   0.704
  288   1HG2  THR  33          1HG       THR  33  -1.706  11.341   2.333
  289   2HG2  THR  33          2HG       THR  33  -3.357  10.700   2.073
  290   3HG2  THR  33          3HG       THR  33  -2.572  10.436   3.608
  291    H    LYS  34           H        LYS  34  -1.553   8.393   4.901
  292    HA   LYS  34           HA       LYS  34  -0.347  10.855   5.971
  293   1HB   LYS  34          2HB       LYS  34  -2.784   9.793   6.340
  294   2HB   LYS  34          3HB       LYS  34  -1.977   8.953   7.663
  295   1HG   LYS  34          2HG       LYS  34  -1.426  11.900   7.452
  296   2HG   LYS  34          3HG       LYS  34  -3.104  11.471   7.781
  297   1HD   LYS  34          2HD       LYS  34  -2.359  10.076   9.716
  298   2HD   LYS  34          3HD       LYS  34  -0.687  10.566   9.396
  299   1HE   LYS  34          2HE       LYS  34  -1.823  13.015   9.504
  300   2HE   LYS  34          3HE       LYS  34  -2.967  12.130  10.526
  301   1HZ   LYS  34          1HZ       LYS  34  -0.666  11.270  11.519
  302   2HZ   LYS  34          2HZ       LYS  34  -0.157  12.722  10.972
  303   3HZ   LYS  34          3HZ       LYS  34  -1.392  12.656  12.064
  304    H    PHE  35           H        PHE  35   0.760   7.784   5.450
  305    HA   PHE  35           HA       PHE  35   2.292   7.603   7.962
  306   1HB   PHE  35          2HB       PHE  35   0.878   5.681   7.119
  307   2HB   PHE  35          3HB       PHE  35   1.912   5.655   5.705
  308    HD1  PHE  35          1HD       PHE  35   3.353   3.788   5.733
  309    HD2  PHE  35          2HD       PHE  35   2.654   5.954   9.393
  310    HE1  PHE  35          1HE       PHE  35   4.808   2.270   6.883
  311    HE2  PHE  35          2HE       PHE  35   4.263   4.489  10.555
  312    HZ   PHE  35           HZ       PHE  35   5.417   2.643   9.299
  313    H    LEU  36           H        LEU  36   2.475   8.525   4.648
  314    HA   LEU  36           HA       LEU  36   5.073   7.831   3.905
  315   1HB   LEU  36          2HB       LEU  36   3.315  10.311   3.444
  316   2HB   LEU  36          3HB       LEU  36   4.960  10.275   2.827
  317    HG   LEU  36           HG       LEU  36   2.638   8.514   1.975
  318   1HD1  LEU  36          1HD       LEU  36   4.318  10.622   0.630
  319   2HD1  LEU  36          2HD       LEU  36   3.182   9.570  -0.217
  320   3HD1  LEU  36          3HD       LEU  36   2.581  10.695   1.012
  321   1HD2  LEU  36          1HD       LEU  36   5.546   8.019   1.761
  322   2HD2  LEU  36          2HD       LEU  36   4.138   6.954   1.570
  323   3HD2  LEU  36          3HD       LEU  36   4.681   7.964   0.222
  324    H    GLU  37           H        GLU  37   4.407  10.893   5.563
  325    HA   GLU  37           HA       GLU  37   7.263  10.875   6.318
  326   1HB   GLU  37          2HB       GLU  37   4.977  12.826   6.689
  327   2HB   GLU  37          3HB       GLU  37   6.615  13.121   7.312
  328   1HG   GLU  37          2HG       GLU  37   7.582  13.318   5.220
  329   2HG   GLU  37          3HG       GLU  37   6.343  12.367   4.400
  330    H    GLU  38           H        GLU  38   5.414   8.811   7.370
  331    HA   GLU  38           HA       GLU  38   5.977   9.228  10.225
  332   1HB   GLU  38          2HB       GLU  38   3.311   9.125   9.019
  333   2HB   GLU  38          3HB       GLU  38   3.539   7.780  10.133
  334   1HG   GLU  38          2HG       GLU  38   4.571   9.831  11.622
  335   2HG   GLU  38          3HG       GLU  38   3.369  10.697  10.663
  336    H    HIS  39           HN       HIS  39   6.840   7.474   7.628
  337    HA   HIS  39           HA       HIS  39   6.539   4.895   8.912
  338   1HB   HIS  39          2HB       HIS  39   5.934   4.874   6.610
  339   2HB   HIS  39          3HB       HIS  39   7.368   5.725   6.153
  340    HD1  HIS  39           HND      HIS  39   9.101   4.408   5.232
  341    HD2  HIS  39           HD       HIS  39   6.736   2.035   7.631
  342    HE1  HIS  39           HE       HIS  39   9.920   2.051   4.840
  343    HA   PRO  40           HA       PRO  40  10.723   5.396  10.317
  344   1HB   PRO  40          2HB       PRO  40  11.081   2.885  11.399
  345   2HB   PRO  40          3HB       PRO  40  10.213   4.215  12.198
  346   1HG   PRO  40          2HG       PRO  40   9.033   1.813  10.867
  347   2HG   PRO  40          3HG       PRO  40   8.375   2.821  12.187
  348   1HD   PRO  40          2HD       PRO  40   7.747   2.868   9.435
  349   2HD   PRO  40          3HD       PRO  40   7.229   4.050  10.675
  350    H    GLY  41           H        GLY  41  11.648   5.655   8.285
  351   1HA   GLY  41          2HA       GLY  41  13.736   4.140   7.547
  352   2HA   GLY  41          3HA       GLY  41  12.416   3.291   6.714
  353    H    GLY  42           H        GLY  42  10.998   4.630   5.342
  354   1HA   GLY  42          2HA       GLY  42  12.078   7.153   4.333
  355   2HA   GLY  42          3HA       GLY  42  12.211   5.791   3.203
  356    H    GLU  43           H        GLU  43  10.673   8.159   2.916
  357    HA   GLU  43           HA       GLU  43   7.893   7.062   2.751
  358   1HB   GLU  43          2HB       GLU  43   7.192   9.333   2.562
  359   2HB   GLU  43          3HB       GLU  43   8.392   9.185   3.855
  360   1HG   GLU  43          2HG       GLU  43  10.030   9.828   1.754
  361   2HG   GLU  43          3HG       GLU  43   8.538  10.622   1.245
  362    H    GLU  44           H        GLU  44  10.582   8.061   0.765
  363    HA   GLU  44           HA       GLU  44   9.049   8.322  -1.705
  364   1HB   GLU  44          2HB       GLU  44  11.313   9.277  -1.469
  365   2HB   GLU  44          3HB       GLU  44  11.959   7.641  -1.276
  366   1HG   GLU  44          2HG       GLU  44  10.598   7.410  -3.724
  367   2HG   GLU  44          3HG       GLU  44  11.020   9.093  -3.742
  368    H    VAL  45           H        VAL  45  10.873   5.582  -0.186
  369    HA   VAL  45           HA       VAL  45  10.426   3.741  -2.264
  370    HB   VAL  45           HB       VAL  45  10.323   2.070  -0.402
  371   1HG1  VAL  45          1HG       VAL  45  12.625   2.448   0.310
  372   2HG1  VAL  45          2HG       VAL  45  12.401   2.746  -1.421
  373   3HG1  VAL  45          3HG       VAL  45  12.544   4.120  -0.306
  374   1HG2  VAL  45          1HG       VAL  45   9.780   2.629   1.692
  375   2HG2  VAL  45          2HG       VAL  45  11.136   3.765   1.771
  376   3HG2  VAL  45          3HG       VAL  45   9.544   4.307   1.219
  377    H    LEU  46           H        LEU  46   8.111   5.332  -0.288
  378    HA   LEU  46           HA       LEU  46   6.074   3.110  -0.700
  379   1HB   LEU  46          2HB       LEU  46   5.586   5.879   0.356
  380   2HB   LEU  46          3HB       LEU  46   4.527   4.464   0.530
  381    HG   LEU  46           HG       LEU  46   7.110   5.189   1.905
  382   1HD1  LEU  46          1HD       LEU  46   4.414   5.201   2.724
  383   2HD1  LEU  46          2HD       LEU  46   5.120   3.808   3.536
  384   3HD1  LEU  46          3HD       LEU  46   5.834   5.404   3.757
  385   1HD2  LEU  46          1HD       LEU  46   7.403   2.801   1.072
  386   2HD2  LEU  46          2HD       LEU  46   7.448   3.007   2.811
  387   3HD2  LEU  46          3HD       LEU  46   5.983   2.367   2.015
  388    H    ARG  47           H        ARG  47   7.059   6.125  -2.088
  389    HA   ARG  47           HA       ARG  47   4.811   6.329  -3.922
  390   1HB   ARG  47          2HB       ARG  47   6.552   8.106  -2.853
  391   2HB   ARG  47          3HB       ARG  47   7.287   7.865  -4.453
  392   1HG   ARG  47          2HG       ARG  47   5.087   8.350  -5.510
  393   2HG   ARG  47          3HG       ARG  47   4.362   8.598  -3.912
  394   1HD   ARG  47          2HD       ARG  47   6.785  10.203  -4.805
  395   2HD   ARG  47          3HD       ARG  47   5.155  10.670  -5.274
  396    HE   ARG  47           HE       ARG  47   4.633  11.308  -3.132
  397   1HH1  ARG  47          2HH       ARG  47   7.835   9.799  -3.121
  398   2HH1  ARG  47          1HH       ARG  47   8.203  10.257  -1.488
  399   1HH2  ARG  47          2HH       ARG  47   5.098  11.840  -0.946
  400   2HH2  ARG  47          1HH       ARG  47   6.642  11.472  -0.251
  401    H    GLU  48           H        GLU  48   8.038   4.899  -3.902
  402    HA   GLU  48           HA       GLU  48   8.345   4.726  -6.759
  403   1HB   GLU  48          2HB       GLU  48   9.744   3.858  -4.314
  404   2HB   GLU  48          3HB       GLU  48   9.774   2.595  -5.524
  405   1HG   GLU  48          2HG       GLU  48  10.375   5.267  -6.665
  406   2HG   GLU  48          3HG       GLU  48  11.473   4.816  -5.368
  407    H    GLN  49           H        GLN  49   6.493   2.960  -4.412
  408    HA   GLN  49           HA       GLN  49   5.717   1.022  -6.554
  409   1HB   GLN  49          2HB       GLN  49   5.717   0.772  -3.531
  410   2HB   GLN  49          3HB       GLN  49   5.174  -0.474  -4.680
  411   1HG   GLN  49          2HG       GLN  49   8.022   0.659  -4.639
  412   2HG   GLN  49          3HG       GLN  49   7.534  -0.768  -3.763
  413   1HE2  GLN  49          1HE       GLN  49   9.524  -1.195  -5.553
  414   2HE2  GLN  49          2HE       GLN  49   8.879  -2.171  -6.853
  415    H    ALA  50           H        ALA  50   4.741   3.816  -5.199
  416    HA   ALA  50           HA       ALA  50   2.222   3.478  -4.201
  417   1HB   ALA  50          1HB       ALA  50   3.420   5.625  -5.950
  418   2HB   ALA  50          2HB       ALA  50   1.734   5.685  -5.425
  419   3HB   ALA  50          3HB       ALA  50   2.968   5.672  -4.201
  420    H    GLY  51           H        GLY  51   0.134   3.338  -5.083
  421   1HA   GLY  51          2HA       GLY  51  -1.434   2.292  -6.368
  422   2HA   GLY  51          3HA       GLY  51  -0.831   3.354  -7.649
  423    H    GLY  52           H        GLY  52   1.206   0.803  -6.110
  424   1HA   GLY  52          2HA       GLY  52   1.036  -0.966  -8.442
  425   2HA   GLY  52          3HA       GLY  52   2.552  -0.101  -8.064
  426    H    ASP  53           H        ASP  53   3.117  -2.681  -7.843
  427    HA   ASP  53           HA       ASP  53   2.174  -3.820  -5.352
  428   1HB   ASP  53          2HB       ASP  53   3.932  -5.592  -6.520
  429   2HB   ASP  53          3HB       ASP  53   2.179  -5.570  -6.657
  430    H    ALA  54           H        ALA  54   3.230  -2.960  -3.615
  431    HA   ALA  54           HA       ALA  54   6.153  -2.499  -3.884
  432   1HB   ALA  54          1HB       ALA  54   4.753  -1.991  -1.295
  433   2HB   ALA  54          2HB       ALA  54   5.967  -1.024  -2.136
  434   3HB   ALA  54          3HB       ALA  54   4.265  -0.972  -2.644
  435    H    THR  55           H        THR  55   4.182  -5.107  -3.230
  436    HA   THR  55           HA       THR  55   5.062  -6.236  -0.872
  437    HB   THR  55           HB       THR  55   4.282  -7.515  -3.537
  438    HG1  THR  55          1HG       THR  55   2.591  -6.297  -2.871
  439   1HG2  THR  55          1HG       THR  55   4.849  -8.569  -0.818
  440   2HG2  THR  55          2HG       THR  55   3.417  -9.220  -1.648
  441   3HG2  THR  55          3HG       THR  55   5.021  -9.330  -2.418
  442    H    GLU  56           H        GLU  56   6.582  -6.447  -4.132
  443    HA   GLU  56           HA       GLU  56   8.603  -8.238  -3.587
  444   1HB   GLU  56          2HB       GLU  56   9.933  -6.943  -5.245
  445   2HB   GLU  56          3HB       GLU  56   8.258  -7.186  -5.762
  446   1HG   GLU  56          2HG       GLU  56   7.743  -4.842  -4.846
  447   2HG   GLU  56          3HG       GLU  56   9.474  -4.636  -4.594
  448    H    ASN  57           H        ASN  57   8.446  -4.857  -2.542
  449    HA   ASN  57           HA       ASN  57  11.120  -4.862  -1.334
  450   1HB   ASN  57          2HB       ASN  57   8.829  -2.900  -1.537
  451   2HB   ASN  57          3HB       ASN  57   9.925  -2.757  -0.168
  452   1HD2  ASN  57          1HD       ASN  57   9.596  -2.301  -3.595
  453   2HD2  ASN  57          2HD       ASN  57  11.228  -1.651  -3.809
  454    H    PHE  58           H        PHE  58   7.785  -4.549  -0.132
  455    HA   PHE  58           HA       PHE  58   8.221  -4.689   2.608
  456   1HB   PHE  58          2HB       PHE  58   6.073  -4.536   1.178
  457   2HB   PHE  58          3HB       PHE  58   6.011  -6.292   1.316
  458    HD1  PHE  58          1HD       PHE  58   5.909  -3.081   3.171
  459    HD2  PHE  58          2HD       PHE  58   5.254  -7.329   3.384
  460    HE1  PHE  58          1HE       PHE  58   4.747  -2.813   5.359
  461    HE2  PHE  58          2HE       PHE  58   4.085  -7.041   5.544
  462    HZ   PHE  58           HZ       PHE  58   3.831  -4.754   6.540
  463    H    GLU  59           H        GLU  59   8.417  -7.351   0.335
  464    HA   GLU  59           HA       GLU  59   8.719  -9.425   2.377
  465   1HB   GLU  59          2HB       GLU  59   8.345  -9.277  -0.605
  466   2HB   GLU  59          3HB       GLU  59   9.317 -10.612  -0.034
  467   1HG   GLU  59          2HG       GLU  59   6.628  -9.975   1.228
  468   2HG   GLU  59          3HG       GLU  59   6.777 -10.995  -0.211
  469    H    ASP  60           H        ASP  60  10.705  -7.794  -0.179
  470    HA   ASP  60           HA       ASP  60  13.062  -9.203   0.072
  471   1HB   ASP  60          2HB       ASP  60  12.298  -6.639  -0.992
  472   2HB   ASP  60          3HB       ASP  60  13.614  -6.298   0.074
  473    H    VAL  61           H        VAL  61  12.103  -6.291   1.913
  474    HA   VAL  61           HA       VAL  61  14.326  -6.542   3.580
  475    HB   VAL  61           HB       VAL  61  13.263  -4.389   3.319
  476   1HG1  VAL  61          1HG       VAL  61  10.932  -5.097   5.035
  477   2HG1  VAL  61          2HG       VAL  61  11.038  -3.971   3.643
  478   3HG1  VAL  61          3HG       VAL  61  10.862  -5.703   3.395
  479   1HG2  VAL  61          1HG       VAL  61  14.383  -4.965   5.581
  480   2HG2  VAL  61          2HG       VAL  61  13.275  -3.571   5.552
  481   3HG2  VAL  61          3HG       VAL  61  12.754  -5.118   6.239
  482    H    GLY  62           H        GLY  62  10.929  -7.695   3.804
  483   1HA   GLY  62          2HA       GLY  62  10.357  -9.716   4.802
  484   2HA   GLY  62          3HA       GLY  62  11.982  -9.837   5.517
  485    H    HIS  63           HN       HIS  63   9.339  -7.459   5.546
  486    HA   HIS  63           HA       HIS  63  10.100  -6.003   7.627
  487   1HB   HIS  63          2HB       HIS  63   7.398  -6.581   6.435
  488   2HB   HIS  63          3HB       HIS  63   7.368  -5.752   7.971
  489    HD1  HIS  63           HND      HIS  63   8.809  -5.232   4.493
  490    HD2  HIS  63           HD       HIS  63   7.690  -3.120   7.926
  491    HE1  HIS  63           HE       HIS  63   8.965  -2.779   3.892
  492    H    SER  64           H        SER  64   9.408  -5.608   9.870
  493    HA   SER  64           HA       SER  64   9.199  -7.969  11.449
  494   1HB   SER  64          2HB       SER  64   8.810  -6.240  13.278
  495   2HB   SER  64          3HB       SER  64  10.315  -6.065  12.342
  496    HG   SER  64           HG       SER  64   9.180  -4.079  12.624
  497    H    THR  65           H        THR  65   7.408  -8.190  13.163
  498    HA   THR  65           HA       THR  65   4.927  -8.543  11.780
  499    HB   THR  65           HB       THR  65   5.898  -8.976  14.627
  500    HG1  THR  65          1HG       THR  65   6.741 -10.556  13.505
  501   1HG2  THR  65          1HG       THR  65   3.707 -10.596  14.313
  502   2HG2  THR  65          2HG       THR  65   3.707  -9.033  15.163
  503   3HG2  THR  65          3HG       THR  65   3.167  -9.131  13.473
  504    H    ASP  66           H        ASP  66   6.055  -6.363  14.452
  505    HA   ASP  66           HA       ASP  66   3.650  -5.044  14.932
  506   1HB   ASP  66          2HB       ASP  66   6.454  -4.664  15.501
  507   2HB   ASP  66          3HB       ASP  66   5.881  -3.147  14.835
  508    H    ALA  67           H        ALA  67   5.861  -4.780  12.234
  509    HA   ALA  67           HA       ALA  67   4.745  -2.350  11.104
  510   1HB   ALA  67          1HB       ALA  67   6.320  -4.220   9.377
  511   2HB   ALA  67          2HB       ALA  67   6.942  -2.611   9.920
  512   3HB   ALA  67          3HB       ALA  67   7.125  -3.868  10.893
  513    H    ARG  68           H        ARG  68   4.272  -5.900  10.675
  514    HA   ARG  68           HA       ARG  68   2.509  -5.632   8.483
  515   1HB   ARG  68          2HB       ARG  68   3.402  -7.753  10.256
  516   2HB   ARG  68          3HB       ARG  68   1.663  -7.923  10.072
  517   1HG   ARG  68          2HG       ARG  68   1.780  -8.270   7.765
  518   2HG   ARG  68          3HG       ARG  68   3.284  -7.353   7.610
  519   1HD   ARG  68          2HD       ARG  68   4.117  -9.422   7.303
  520   2HD   ARG  68          3HD       ARG  68   4.345  -9.270   9.051
  521    HE   ARG  68           HE       ARG  68   1.827 -10.390   8.753
  522   1HH1  ARG  68          2HH       ARG  68   5.113 -11.226   7.767
  523   2HH1  ARG  68          1HH       ARG  68   4.858 -12.929   7.717
  524   1HH2  ARG  68          2HH       ARG  68   1.438 -12.688   8.710
  525   2HH2  ARG  68          1HH       ARG  68   2.705 -13.778   8.281
  526    H    GLU  69           H        GLU  69   2.096  -4.909  11.929
  527    HA   GLU  69           HA       GLU  69  -0.798  -5.271  12.082
  528   1HB   GLU  69          2HB       GLU  69   1.391  -4.306  13.924
  529   2HB   GLU  69          3HB       GLU  69  -0.226  -3.714  14.212
  530   1HG   GLU  69          2HG       GLU  69  -0.549  -6.484  13.790
  531   2HG   GLU  69          3HG       GLU  69   0.927  -6.345  14.745
  532    H    LEU  70           H        LEU  70   1.415  -2.314  12.017
  533    HA   LEU  70           HA       LEU  70  -0.667  -0.449  11.936
  534   1HB   LEU  70          2HB       LEU  70   2.068  -0.611  10.640
  535   2HB   LEU  70          3HB       LEU  70   1.067   0.813  10.575
  536    HG   LEU  70           HG       LEU  70   1.410  -0.210  13.288
  537   1HD1  LEU  70          1HD       LEU  70   3.622  -0.822  12.809
  538   2HD1  LEU  70          2HD       LEU  70   3.828   0.437  11.573
  539   3HD1  LEU  70          3HD       LEU  70   3.848   0.855  13.297
  540   1HD2  LEU  70          1HD       LEU  70   2.046   2.202  13.670
  541   2HD2  LEU  70          2HD       LEU  70   1.779   2.458  11.929
  542   3HD2  LEU  70          3HD       LEU  70   0.441   1.911  12.976
  543    H    SER  71           H        SER  71   0.646  -2.675   9.417
  544    HA   SER  71           HA       SER  71  -0.582  -1.448   7.284
  545   1HB   SER  71          2HB       SER  71  -0.066  -3.277   6.090
  546   2HB   SER  71          3HB       SER  71   0.805  -3.720   7.561
  547    HG   SER  71           HG       SER  71  -0.475  -5.418   7.448
  548    H    LYS  72           H        LYS  72  -2.127  -3.345   9.756
  549    HA   LYS  72           HA       LYS  72  -4.621  -3.726   8.497
  550   1HB   LYS  72          2HB       LYS  72  -3.509  -4.608  10.773
  551   2HB   LYS  72          3HB       LYS  72  -4.397  -3.262  11.484
  552   1HG   LYS  72          2HG       LYS  72  -6.133  -4.737   9.651
  553   2HG   LYS  72          3HG       LYS  72  -5.317  -5.874  10.735
  554   1HD   LYS  72          2HD       LYS  72  -6.055  -4.412  12.677
  555   2HD   LYS  72          3HD       LYS  72  -6.986  -3.453  11.496
  556   1HE   LYS  72          2HE       LYS  72  -7.787  -6.004  10.849
  557   2HE   LYS  72          3HE       LYS  72  -7.425  -6.219  12.567
  558   1HZ   LYS  72          1HZ       LYS  72  -9.546  -5.492  12.715
  559   2HZ   LYS  72          2HZ       LYS  72  -8.842  -4.004  12.658
  560   3HZ   LYS  72          3HZ       LYS  72  -9.505  -4.650  11.298
  561    H    THR  73           H        THR  73  -3.280  -0.881  10.130
  562    HA   THR  73           HA       THR  73  -5.851   0.535  10.101
  563    HB   THR  73           HB       THR  73  -4.725   2.177  11.384
  564    HG1  THR  73          1HG       THR  73  -2.514   2.310  11.529
  565   1HG2  THR  73          1HG       THR  73  -5.019  -0.194  12.445
  566   2HG2  THR  73          2HG       THR  73  -3.260  -0.353  12.252
  567   3HG2  THR  73          3HG       THR  73  -3.923   0.938  13.266
  568    H    PHE  74           H        PHE  74  -3.496  -0.183   7.867
  569    HA   PHE  74           HA       PHE  74  -3.662   2.384   6.372
  570   1HB   PHE  74          2HB       PHE  74  -1.867  -0.059   6.229
  571   2HB   PHE  74          3HB       PHE  74  -1.800   1.264   5.070
  572    HD1  PHE  74          1HD       PHE  74  -2.465   2.818   8.162
  573    HD2  PHE  74          2HD       PHE  74   0.595   0.731   5.983
  574    HE1  PHE  74          1HE       PHE  74  -0.782   3.806   9.623
  575    HE2  PHE  74          2HE       PHE  74   2.287   1.785   7.380
  576    HZ   PHE  74           HZ       PHE  74   1.606   3.235   9.284
  577    H    ILE  75           H        ILE  75  -4.582  -1.061   6.243
  578    HA   ILE  75           HA       ILE  75  -5.134  -1.162   3.495
  579    HB   ILE  75           HB       ILE  75  -5.303  -2.849   5.750
  580   1HG1  ILE  75          2HG       ILE  75  -6.185  -3.702   3.009
  581   2HG1  ILE  75          3HG       ILE  75  -4.542  -3.149   3.247
  582   1HG2  ILE  75          1HG       ILE  75  -7.455  -4.025   5.432
  583   2HG2  ILE  75          2HG       ILE  75  -7.667  -2.388   6.057
  584   3HG2  ILE  75          3HG       ILE  75  -7.996  -2.740   4.338
  585   1HD1  ILE  75          1HD       ILE  75  -5.881  -5.507   4.616
  586   2HD1  ILE  75          2HD       ILE  75  -4.415  -5.480   3.620
  587   3HD1  ILE  75          3HD       ILE  75  -4.384  -4.778   5.232
  588    H    ILE  76           H        ILE  76  -6.494  -0.029   2.378
  589    HA   ILE  76           HA       ILE  76  -8.922   1.074   3.706
  590    HB   ILE  76           HB       ILE  76  -8.879   2.854   2.091
  591   1HG1  ILE  76          2HG       ILE  76  -6.442   2.884   0.790
  592   2HG1  ILE  76          3HG       ILE  76  -6.718   1.185   0.803
  593   1HG2  ILE  76          1HG       ILE  76  -7.170   4.098   3.068
  594   2HG2  ILE  76          2HG       ILE  76  -7.408   2.795   4.258
  595   3HG2  ILE  76          3HG       ILE  76  -6.067   2.712   3.111
  596   1HD1  ILE  76          1HD       ILE  76  -7.568   2.433  -1.189
  597   2HD1  ILE  76          2HD       ILE  76  -8.846   1.576  -0.369
  598   3HD1  ILE  76          3HD       ILE  76  -8.688   3.320  -0.106
  599    H    GLY  77           H        GLY  77  -8.159  -1.648   2.160
  600   1HA   GLY  77          2HA       GLY  77 -10.606  -2.459   1.435
  601   2HA   GLY  77          3HA       GLY  77 -10.117  -1.521  -0.001
  602    H    GLU  78           H        GLU  78 -10.121  -3.534  -1.236
  603    HA   GLU  78           HA       GLU  78  -7.535  -4.753  -1.156
  604   1HB   GLU  78          2HB       GLU  78  -8.351  -7.066  -0.973
  605   2HB   GLU  78          3HB       GLU  78  -8.718  -6.132   0.477
  606   1HG   GLU  78          2HG       GLU  78 -10.998  -5.754  -1.120
  607   2HG   GLU  78          3HG       GLU  78 -10.546  -7.439  -1.396
  608    H    LEU  79           H        LEU  79  -7.076  -5.817  -3.178
  609    HA   LEU  79           HA       LEU  79  -8.099  -4.628  -5.468
  610   1HB   LEU  79          2HB       LEU  79  -6.491  -7.071  -4.803
  611   2HB   LEU  79          3HB       LEU  79  -7.353  -7.141  -6.342
  612    HG   LEU  79           HG       LEU  79  -6.372  -5.088  -7.087
  613   1HD1  LEU  79          1HD       LEU  79  -4.284  -4.481  -5.455
  614   2HD1  LEU  79          2HD       LEU  79  -5.782  -3.573  -5.515
  615   3HD1  LEU  79          3HD       LEU  79  -5.530  -4.800  -4.262
  616   1HD2  LEU  79          1HD       LEU  79  -5.149  -7.395  -7.199
  617   2HD2  LEU  79          2HD       LEU  79  -4.205  -5.940  -7.563
  618   3HD2  LEU  79          3HD       LEU  79  -4.063  -6.719  -5.976
  619    H    HIS  80           H        HIS  80  -9.794  -4.992  -6.808
  620    HA   HIS  80           HA       HIS  80 -12.148  -5.999  -5.917
  621   1HB   HIS  80          2HB       HIS  80 -11.017  -5.327  -8.562
  622   2HB   HIS  80          3HB       HIS  80 -12.220  -6.593  -8.681
  623    HD1  HIS  80           HD1      HIS  80 -14.247  -5.242  -9.640
  624    HD2  HIS  80           HD2      HIS  80 -12.387  -3.572  -6.283
  625    HE1  HIS  80           HE1      HIS  80 -15.672  -3.218  -8.944
  626    HA   PRO  81           HA       PRO  81 -12.125 -10.289  -5.847
  627   1HB   PRO  81          2HB       PRO  81 -14.655 -11.005  -6.761
  628   2HB   PRO  81          3HB       PRO  81 -14.265 -10.388  -5.130
  629   1HG   PRO  81          2HG       PRO  81 -15.580  -8.972  -7.396
  630   2HG   PRO  81          3HG       PRO  81 -15.656  -8.630  -5.641
  631   1HD   PRO  81          2HD       PRO  81 -14.101  -7.289  -7.610
  632   2HD   PRO  81          3HD       PRO  81 -14.008  -7.060  -5.841
  633    H    ASP  82           H        ASP  82 -13.607  -9.163  -8.921
  634    HA   ASP  82           HA       ASP  82 -13.160 -11.411 -10.521
  635   1HB   ASP  82          2HB       ASP  82 -14.396  -9.216 -11.060
  636   2HB   ASP  82          3HB       ASP  82 -12.817  -8.532 -11.455
  637    H    ASP  83           H        ASP  83 -10.980  -8.833  -9.508
  638    HA   ASP  83           HA       ASP  83  -8.714 -10.081 -10.931
  639   1HB   ASP  83          2HB       ASP  83  -9.118  -7.279  -9.827
  640   2HB   ASP  83          3HB       ASP  83  -7.563  -7.887 -10.409
  641    H    ARG  84           H        ARG  84  -9.703 -11.395  -8.692
  642    HA   ARG  84           HA       ARG  84  -7.524 -10.813  -6.695
  643   1HB   ARG  84          2HB       ARG  84 -10.091 -10.674  -6.079
  644   2HB   ARG  84          3HB       ARG  84  -9.965 -12.429  -5.990
  645   1HG   ARG  84          2HG       ARG  84  -7.759 -11.698  -4.528
  646   2HG   ARG  84          3HG       ARG  84  -8.760 -10.259  -4.302
  647   1HD   ARG  84          2HD       ARG  84  -9.615 -11.460  -2.574
  648   2HD   ARG  84          3HD       ARG  84 -10.638 -12.175  -3.834
  649    HE   ARG  84           HE       ARG  84  -8.330 -13.701  -3.852
  650   1HH1  ARG  84          2HH       ARG  84 -10.705 -12.831  -1.397
  651   2HH1  ARG  84          1HH       ARG  84 -10.487 -14.247  -0.431
  652   1HH2  ARG  84          2HH       ARG  84  -8.005 -15.624  -2.591
  653   2HH2  ARG  84          1HH       ARG  84  -8.902 -15.880  -1.139
  654    H    SER  85           H        SER  85  -9.333 -13.382  -8.383
  655    HA   SER  85           HA       SER  85  -6.990 -15.152  -7.951
  656   1HB   SER  85          2HB       SER  85  -9.311 -15.436  -6.473
  657   2HB   SER  85          3HB       SER  85  -9.621 -16.537  -7.812
  658    HG   SER  85           HG       SER  85  -7.202 -17.089  -7.219
  659    H    LYS  86           H        LYS  86  -7.081 -13.805 -10.201
  660    HA   LYS  86           HA       LYS  86  -7.448 -15.894 -12.136
  661   1HB   LYS  86          2HB       LYS  86  -9.817 -14.687 -11.655
  662   2HB   LYS  86          3HB       LYS  86  -9.213 -13.545 -12.827
  663   1HG   LYS  86          2HG       LYS  86  -9.130 -16.580 -13.288
  664   2HG   LYS  86          3HG       LYS  86 -10.599 -15.665 -13.600
  665   1HD   LYS  86          2HD       LYS  86  -7.927 -15.049 -14.920
  666   2HD   LYS  86          3HD       LYS  86  -9.168 -16.051 -15.639
  667   1HE   LYS  86          2HE       LYS  86 -10.492 -14.293 -16.193
  668   2HE   LYS  86          3HE       LYS  86 -10.309 -13.552 -14.603
  669   1HZ   LYS  86          1HZ       LYS  86  -8.495 -13.248 -16.888
  670   2HZ   LYS  86          2HZ       LYS  86  -9.364 -12.084 -16.103
  671   3HZ   LYS  86          3HZ       LYS  86  -8.090 -12.800 -15.344
  672    H    LEU  87           H        LEU  87  -5.214 -14.629 -11.400
  673    HA   LEU  87           HA       LEU  87  -4.285 -13.414 -13.838
  674   1HB   LEU  87          2HB       LEU  87  -3.584 -11.243 -12.779
  675   2HB   LEU  87          3HB       LEU  87  -5.276 -11.433 -13.131
  676    HG   LEU  87           HG       LEU  87  -5.301 -12.290 -10.516
  677   1HD1  LEU  87          1HD       LEU  87  -3.929 -10.034  -9.635
  678   2HD1  LEU  87          2HD       LEU  87  -3.386 -11.714  -9.468
  679   3HD1  LEU  87          3HD       LEU  87  -2.806 -10.723 -10.813
  680   1HD2  LEU  87          1HD       LEU  87  -6.157 -10.049 -10.047
  681   2HD2  LEU  87          2HD       LEU  87  -5.633  -9.505 -11.649
  682   3HD2  LEU  87          3HD       LEU  87  -6.838 -10.801 -11.506
  683    H    SER  88           H        SER  88  -3.369 -15.668 -13.027
  684    HA   SER  88           HA       SER  88  -0.653 -15.072 -12.274
  685   1HB   SER  88          2HB       SER  88  -1.477 -15.122 -10.021
  686   2HB   SER  88          3HB       SER  88  -2.439 -16.585 -10.330
  687    HG   SER  88           HG       SER  88  -0.024 -16.522  -9.413
  688    H    LYS  89           H        LYS  89   0.193 -16.163 -13.934
  689    HA   LYS  89           HA       LYS  89   0.807 -17.850 -15.290
  690   1HB   LYS  89          2HB       LYS  89   0.608 -18.986 -12.787
  691   2HB   LYS  89          3HB       LYS  89  -0.363 -20.098 -13.743
  692   1HG   LYS  89          2HG       LYS  89   2.401 -19.127 -14.598
  693   2HG   LYS  89          3HG       LYS  89   2.170 -20.537 -13.569
  694   1HD   LYS  89          2HD       LYS  89   1.521 -21.858 -15.254
  695   2HD   LYS  89          3HD       LYS  89   0.443 -20.648 -15.962
  696   1HE   LYS  89          2HE       LYS  89   2.092 -19.680 -17.268
  697   2HE   LYS  89          3HE       LYS  89   3.417 -20.244 -16.232
  698   1HZ   LYS  89          1HZ       LYS  89   3.183 -22.405 -17.067
  699   2HZ   LYS  89          2HZ       LYS  89   1.748 -22.079 -17.815
  700   3HZ   LYS  89          3HZ       LYS  89   3.146 -21.429 -18.393
  701    HA   PRO  90           HA       PRO  90  -3.343 -17.904 -17.141
  702   1HB   PRO  90          2HB       PRO  90  -2.519 -16.962 -19.642
  703   2HB   PRO  90          3HB       PRO  90  -3.080 -15.949 -18.283
  704   1HG   PRO  90          2HG       PRO  90  -0.313 -16.328 -19.297
  705   2HG   PRO  90          3HG       PRO  90  -0.998 -14.994 -18.323
  706   1HD   PRO  90          2HD       PRO  90   0.592 -17.198 -17.418
  707   2HD   PRO  90          3HD       PRO  90  -0.195 -15.948 -16.409
  708    H    MET  91           H        MET  91  -4.179 -19.266 -18.805
  709    HA   MET  91           HA       MET  91  -2.279 -21.226 -19.970
  710   1HB   MET  91          2HB       MET  91  -3.354 -21.973 -17.736
  711   2HB   MET  91          3HB       MET  91  -4.872 -22.104 -18.632
  712   1HG   MET  91          2HG       MET  91  -4.066 -23.820 -20.003
  713   2HG   MET  91          3HG       MET  91  -2.368 -23.413 -19.711
  714   1HE   MET  91          1HE       MET  91  -4.167 -26.877 -18.244
  715   2HE   MET  91          2HE       MET  91  -3.956 -26.017 -19.785
  716   3HE   MET  91          3HE       MET  91  -2.543 -26.723 -18.958
  717    H    GLU  92           H        GLU  92  -5.766 -20.430 -19.736
  718    HA   GLU  92           HA       GLU  92  -7.332 -19.975 -21.274
  719   1HB   GLU  92          2HB       GLU  92  -5.284 -18.702 -22.382
  720   2HB   GLU  92          3HB       GLU  92  -5.420 -19.994 -23.592
  721   1HG   GLU  92          2HG       GLU  92  -7.901 -19.405 -23.749
  722   2HG   GLU  92          3HG       GLU  92  -7.565 -18.026 -22.694
  723    H    THR  93           H        THR  93  -8.749 -21.291 -22.483
  724    HA   THR  93           HA       THR  93  -8.215 -24.076 -22.435
  725    HB   THR  93           HB       THR  93 -10.467 -22.992 -22.432
  726    HG1  THR  93          1HG       THR  93 -11.035 -24.903 -22.949
  727   1HG2  THR  93          1HG       THR  93 -10.189 -21.338 -24.232
  728   2HG2  THR  93          2HG       THR  93  -9.952 -22.629 -25.415
  729   3HG2  THR  93          3HG       THR  93 -11.518 -22.453 -24.622
  730    H    LEU  94           H        LEU  94  -8.399 -25.445 -24.449
  731    HA   LEU  94           HA       LEU  94  -6.145 -24.775 -26.218
  732   1HB   LEU  94          2HB       LEU  94  -6.146 -27.024 -25.466
  733   2HB   LEU  94          3HB       LEU  94  -7.885 -27.206 -25.723
  734    HG   LEU  94           HG       LEU  94  -7.535 -27.146 -28.178
  735   1HD1  LEU  94          1HD       LEU  94  -5.297 -27.274 -29.123
  736   2HD1  LEU  94          2HD       LEU  94  -5.324 -25.850 -28.085
  737   3HD1  LEU  94          3HD       LEU  94  -4.547 -27.329 -27.504
  738   1HD2  LEU  94          1HD       LEU  94  -5.789 -29.278 -26.945
  739   2HD2  LEU  94          2HD       LEU  94  -7.559 -29.248 -26.772
  740   3HD2  LEU  94          3HD       LEU  94  -6.837 -29.357 -28.382
  741    HHA  HEM  95          MHG       HEM  95  11.817  -0.863   8.846
  742    HHB  HEM  95          MHD       HEM  95   5.465  -0.241   9.630
  743    HHC  HEM  95          MHA       HEM  95   4.789  -0.418   3.230
  744    HHD  HEM  95          MHB       HEM  95  11.102  -0.125   2.500
  745   1HMA  HEM  95          1HM       HEM  95   6.468  -1.288  11.552
  746   2HMA  HEM  95          2HM       HEM  95   7.943  -1.064  12.453
  747   3HMA  HEM  95          3HM       HEM  95   6.976   0.337  11.934
  748   1HAA  HEM  95          1HP       HEM  95  11.165  -1.895  10.832
  749   2HAA  HEM  95          2HP       HEM  95  10.022  -1.516  12.104
  750   1HBA  HEM  95          3HP       HEM  95  10.603   0.873  11.908
  751   2HBA  HEM  95          4HP       HEM  95  11.835   0.487  10.693
  752   1HMB  HEM  95          1HM       HEM  95   3.315  -1.201   8.898
  753   2HMB  HEM  95          2HM       HEM  95   3.198   0.541   8.870
  754   3HMB  HEM  95          3HM       HEM  95   2.125  -0.462   7.829
  755    HAB  HEM  95          AHT       HEM  95   2.963  -0.945   3.986
  756   1HBB  HEM  95          CHV       HEM  95   1.999  -2.333   6.029
  757   2HBB  HEM  95          THV       HEM  95   0.908  -1.456   4.832
  758   1HMC  HEM  95          1HM       HEM  95   5.224  -1.226   1.318
  759   2HMC  HEM  95          2HM       HEM  95   5.716   0.270   0.504
  760   3HMC  HEM  95          3HM       HEM  95   6.462  -1.321   0.109
  761    HAC  HEM  95          AHT       HEM  95  10.295  -0.122   0.517
  762   1HBC  HEM  95          THV       HEM  95   9.293   0.430  -1.509
  763   2HBC  HEM  95          CHV       HEM  95   7.603   0.247  -0.819
  764   1HMD  HEM  95          1HM       HEM  95  13.188  -0.291   2.881
  765   2HMD  HEM  95          2HM       HEM  95  13.722   1.088   3.852
  766   3HMD  HEM  95          3HM       HEM  95  14.391  -0.536   4.135
  767   1HAD  HEM  95          1HP       HEM  95  13.624   0.047   8.062
  768   2HAD  HEM  95          2HP       HEM  95  14.403   0.599   6.596
  769   1HBD  HEM  95          3HP       HEM  95  14.794  -1.861   6.006
  770   2HBD  HEM  95          4HP       HEM  95  14.228  -2.257   7.636
  Start of MODEL   23
    1   1H    ASP   1           H1       ASP   1 -20.046  -4.337  10.303
    2   2H    ASP   1           H2       ASP   1 -19.543  -4.968  11.734
    3   3H    ASP   1           H3       ASP   1 -19.662  -3.320  11.565
    4    HA   ASP   1           HA       ASP   1 -17.894  -3.266  10.029
    5   1HB   ASP   1          2HB       ASP   1 -17.590  -4.474  12.743
    6   2HB   ASP   1          3HB       ASP   1 -16.163  -4.532  11.676
    7    H    LYS   2           H        LYS   2 -17.543  -4.371   8.069
    8    HA   LYS   2           HA       LYS   2 -16.695  -7.061   7.964
    9   1HB   LYS   2          2HB       LYS   2 -19.605  -6.673   8.239
   10   2HB   LYS   2          3HB       LYS   2 -19.227  -7.502   6.738
   11   1HG   LYS   2          2HG       LYS   2 -18.348  -9.365   7.764
   12   2HG   LYS   2          3HG       LYS   2 -17.725  -8.479   9.136
   13   1HD   LYS   2          2HD       LYS   2 -20.349  -8.150   9.684
   14   2HD   LYS   2          3HD       LYS   2 -20.434  -9.660   8.740
   15   1HE   LYS   2          2HE       LYS   2 -18.479 -10.476  10.206
   16   2HE   LYS   2          3HE       LYS   2 -18.733  -9.037  11.203
   17   1HZ   LYS   2          1HZ       LYS   2 -20.905  -9.816  11.748
   18   2HZ   LYS   2          2HZ       LYS   2 -20.816 -11.062  10.671
   19   3HZ   LYS   2          3HZ       LYS   2 -19.860 -11.061  12.009
   20    H    ASP   3           H        ASP   3 -18.787  -4.726   6.122
   21    HA   ASP   3           HA       ASP   3 -17.926  -5.652   3.603
   22   1HB   ASP   3          2HB       ASP   3 -18.747  -2.821   4.374
   23   2HB   ASP   3          3HB       ASP   3 -18.667  -3.466   2.730
   24    H    VAL   4           H        VAL   4 -16.518  -4.267   2.018
   25    HA   VAL   4           HA       VAL   4 -14.141  -3.274   3.475
   26    HB   VAL   4           HB       VAL   4 -14.035  -4.811   0.865
   27   1HG1  VAL   4          1HG       VAL   4 -12.130  -3.351   2.352
   28   2HG1  VAL   4          2HG       VAL   4 -11.801  -5.026   2.774
   29   3HG1  VAL   4          3HG       VAL   4 -11.785  -4.541   1.071
   30   1HG2  VAL   4          1HG       VAL   4 -13.850  -6.037   3.637
   31   2HG2  VAL   4          2HG       VAL   4 -15.042  -6.415   2.375
   32   3HG2  VAL   4          3HG       VAL   4 -13.350  -6.826   2.116
   33    H    LYS   5           H        LYS   5 -13.300  -2.992   0.489
   34    HA   LYS   5           HA       LYS   5 -14.985  -0.665  -0.165
   35   1HB   LYS   5          2HB       LYS   5 -12.304  -0.489   0.795
   36   2HB   LYS   5          3HB       LYS   5 -12.309   0.073  -0.884
   37   1HG   LYS   5          2HG       LYS   5 -14.191   0.999   1.328
   38   2HG   LYS   5          3HG       LYS   5 -12.767   1.893   0.784
   39   1HD   LYS   5          2HD       LYS   5 -13.684   2.388  -1.304
   40   2HD   LYS   5          3HD       LYS   5 -14.896   1.148  -1.257
   41   1HE   LYS   5          2HE       LYS   5 -14.887   3.417   0.748
   42   2HE   LYS   5          3HE       LYS   5 -15.609   3.588  -0.865
   43   1HZ   LYS   5          1HZ       LYS   5 -16.930   1.591  -0.359
   44   2HZ   LYS   5          2HZ       LYS   5 -16.376   1.607   1.188
   45   3HZ   LYS   5          3HZ       LYS   5 -17.290   2.862   0.621
   46    H    TYR   6           H        TYR   6 -12.821  -3.193  -1.318
   47    HA   TYR   6           HA       TYR   6 -12.327  -3.966  -3.345
   48   1HB   TYR   6          2HB       TYR   6 -15.276  -3.374  -3.684
   49   2HB   TYR   6          3HB       TYR   6 -14.328  -4.560  -4.584
   50    HD1  TYR   6           HD1      TYR   6 -16.863  -4.678  -2.471
   51    HD2  TYR   6           HD2      TYR   6 -12.718  -5.868  -2.469
   52    HE1  TYR   6           HE1      TYR   6 -17.380  -6.488  -0.864
   53    HE2  TYR   6           HE2      TYR   6 -13.216  -7.644  -0.853
   54    HH   TYR   6           HH       TYR   6 -16.528  -8.424   0.205
   55    H    TYR   7           H        TYR   7 -10.783  -2.410  -4.203
   56    HA   TYR   7           HA       TYR   7 -11.995  -0.440  -6.007
   57   1HB   TYR   7          2HB       TYR   7  -9.474  -0.654  -4.343
   58   2HB   TYR   7          3HB       TYR   7  -9.521   0.349  -5.721
   59    HD1  TYR   7           HD1      TYR   7 -11.994   1.756  -5.822
   60    HD2  TYR   7           HD2      TYR   7  -9.800   0.547  -2.315
   61    HE1  TYR   7           HE1      TYR   7 -12.881   3.712  -4.612
   62    HE2  TYR   7           HE2      TYR   7 -10.821   2.426  -1.053
   63    HH   TYR   7           HH       TYR   7 -11.959   4.436  -1.227
   64    H    THR   8           H        THR   8 -11.145  -0.216  -8.020
   65    HA   THR   8           HA       THR   8 -10.178  -2.695  -9.276
   66    HB   THR   8           HB       THR   8 -10.480  -1.082 -11.337
   67    HG1  THR   8          1HG       THR   8 -10.565   0.823  -9.965
   68   1HG2  THR   8          1HG       THR   8 -12.520  -2.020 -11.592
   69   2HG2  THR   8          2HG       THR   8 -12.203  -2.779 -10.033
   70   3HG2  THR   8          3HG       THR   8 -13.156  -1.286 -10.097
   71    H    LEU   9           H        LEU   9  -8.193  -2.840 -10.441
   72    HA   LEU   9           HA       LEU   9  -6.007  -1.526  -9.403
   73   1HB   LEU   9          2HB       LEU   9  -6.218  -2.494 -12.286
   74   2HB   LEU   9          3HB       LEU   9  -4.744  -2.117 -11.408
   75    HG   LEU   9           HG       LEU   9  -4.842  -4.411 -11.347
   76   1HD1  LEU   9          1HD       LEU   9  -6.119  -3.650  -8.688
   77   2HD1  LEU   9          2HD       LEU   9  -5.018  -4.999  -9.027
   78   3HD1  LEU   9          3HD       LEU   9  -4.424  -3.330  -9.120
   79   1HD2  LEU   9          1HD       LEU   9  -6.638  -5.699 -11.457
   80   2HD2  LEU   9          2HD       LEU   9  -7.480  -4.905 -10.119
   81   3HD2  LEU   9          3HD       LEU   9  -7.565  -4.246 -11.778
   82    H    GLU  10           H        GLU  10  -7.960  -0.382 -12.202
   83    HA   GLU  10           HA       GLU  10  -6.248   1.762 -12.923
   84   1HB   GLU  10          2HB       GLU  10  -9.064   1.003 -13.380
   85   2HB   GLU  10          3HB       GLU  10  -8.840   2.752 -13.256
   86   1HG   GLU  10          2HG       GLU  10  -6.879   2.509 -14.885
   87   2HG   GLU  10          3HG       GLU  10  -7.447   0.858 -15.179
   88    H    GLU  11           H        GLU  11  -8.683   1.572 -10.366
   89    HA   GLU  11           HA       GLU  11  -8.585   4.347  -9.635
   90   1HB   GLU  11          2HB       GLU  11 -10.506   2.880  -9.102
   91   2HB   GLU  11          3HB       GLU  11  -9.477   1.905  -8.056
   92   1HG   GLU  11          2HG       GLU  11 -10.691   3.298  -6.649
   93   2HG   GLU  11          3HG       GLU  11  -9.060   3.898  -6.629
   94    H    ILE  12           H        ILE  12  -7.032   1.366  -8.177
   95    HA   ILE  12           HA       ILE  12  -5.613   2.832  -6.243
   96    HB   ILE  12           HB       ILE  12  -4.887   0.242  -7.663
   97   1HG1  ILE  12          2HG       ILE  12  -5.726   0.018  -4.913
   98   2HG1  ILE  12          3HG       ILE  12  -6.851   1.073  -5.708
   99   1HG2  ILE  12          1HG       ILE  12  -3.557   1.738  -5.418
  100   2HG2  ILE  12          2HG       ILE  12  -3.615  -0.033  -5.318
  101   3HG2  ILE  12          3HG       ILE  12  -2.859   0.719  -6.714
  102   1HD1  ILE  12          1HD       ILE  12  -6.171  -1.457  -7.192
  103   2HD1  ILE  12          2HD       ILE  12  -7.114  -1.646  -5.725
  104   3HD1  ILE  12          3HD       ILE  12  -7.728  -0.611  -6.980
  105    H    LYS  13           H        LYS  13  -4.652   2.027  -9.566
  106    HA   LYS  13           HA       LYS  13  -2.055   3.270  -9.447
  107   1HB   LYS  13          2HB       LYS  13  -3.915   2.672 -11.780
  108   2HB   LYS  13          3HB       LYS  13  -2.217   3.166 -11.943
  109   1HG   LYS  13          2HG       LYS  13  -1.434   1.198 -10.816
  110   2HG   LYS  13          3HG       LYS  13  -3.056   0.676 -10.387
  111   1HD   LYS  13          2HD       LYS  13  -1.687   0.650 -13.087
  112   2HD   LYS  13          3HD       LYS  13  -2.345  -0.701 -12.142
  113   1HE   LYS  13          2HE       LYS  13  -4.626   0.374 -12.418
  114   2HE   LYS  13          3HE       LYS  13  -3.911   1.479 -13.590
  115   1HZ   LYS  13          1HZ       LYS  13  -3.642  -1.429 -13.898
  116   2HZ   LYS  13          2HZ       LYS  13  -5.012  -0.664 -14.392
  117   3HZ   LYS  13          3HZ       LYS  13  -3.563  -0.258 -15.055
  118    H    LYS  14           H        LYS  14  -5.347   4.499  -9.833
  119    HA   LYS  14           HA       LYS  14  -4.658   7.046 -10.962
  120   1HB   LYS  14          2HB       LYS  14  -7.037   5.722 -10.205
  121   2HB   LYS  14          3HB       LYS  14  -6.953   7.091  -9.110
  122   1HG   LYS  14          2HG       LYS  14  -6.538   8.496 -11.277
  123   2HG   LYS  14          3HG       LYS  14  -7.026   7.016 -12.137
  124   1HD   LYS  14          2HD       LYS  14  -9.081   7.086 -10.451
  125   2HD   LYS  14          3HD       LYS  14  -8.646   8.789 -10.292
  126   1HE   LYS  14          2HE       LYS  14  -9.762   9.213 -12.213
  127   2HE   LYS  14          3HE       LYS  14  -8.562   8.239 -13.074
  128   1HZ   LYS  14          1HZ       LYS  14  -9.939   6.281 -12.496
  129   2HZ   LYS  14          2HZ       LYS  14 -11.093   7.282 -11.902
  130   3HZ   LYS  14          3HZ       LYS  14 -10.696   7.336 -13.506
  131    H    HIS  15           H        HIS  15  -4.421   5.702  -7.677
  132    HA   HIS  15           HA       HIS  15  -3.583   8.408  -6.770
  133   1HB   HIS  15          2HB       HIS  15  -4.390   6.478  -4.722
  134   2HB   HIS  15          3HB       HIS  15  -4.600   8.221  -4.846
  135    HD1  HIS  15           HD1      HIS  15  -6.845   8.951  -6.454
  136    HD2  HIS  15           HD2      HIS  15  -6.302   4.955  -5.308
  137    HE1  HIS  15           HE1      HIS  15  -9.138   7.776  -6.699
  138    H    ASN  16           H        ASN  16  -1.574   8.337  -7.102
  139    HA   ASN  16           HA       ASN  16   0.096   6.471  -5.564
  140   1HB   ASN  16          2HB       ASN  16   1.572   5.942  -7.422
  141   2HB   ASN  16          3HB       ASN  16  -0.078   5.527  -7.878
  142   1HD2  ASN  16          1HD       ASN  16  -1.213   6.990  -9.449
  143   2HD2  ASN  16          2HD       ASN  16  -0.237   8.078 -10.411
  144    H    HIS  17           H        HIS  17  -0.675   9.452  -5.584
  145    HA   HIS  17           HA       HIS  17   2.057  10.592  -5.702
  146   1HB   HIS  17          2HB       HIS  17   1.080  12.673  -6.560
  147   2HB   HIS  17          3HB       HIS  17   0.823  11.325  -7.657
  148    HD1  HIS  17           HD1      HIS  17  -1.110  13.894  -5.683
  149    HD2  HIS  17           HD2      HIS  17  -1.761  10.276  -7.757
  150    HE1  HIS  17           HE1      HIS  17  -3.626  13.699  -6.080
  151    H    SER  18           H        SER  18   1.710  12.992  -4.478
  152    HA   SER  18           HA       SER  18   1.464  12.166  -1.745
  153   1HB   SER  18          2HB       SER  18   2.112  14.674  -1.516
  154   2HB   SER  18          3HB       SER  18   3.270  13.563  -2.268
  155    HG   SER  18           HG       SER  18   2.183  15.725  -3.322
  156    H    LYS  19           H        LYS  19  -0.819  11.607  -1.893
  157    HA   LYS  19           HA       LYS  19  -2.615  13.523  -0.787
  158   1HB   LYS  19          2HB       LYS  19  -2.726  14.519  -2.998
  159   2HB   LYS  19          3HB       LYS  19  -2.939  12.949  -3.756
  160   1HG   LYS  19          2HG       LYS  19  -4.984  13.752  -1.709
  161   2HG   LYS  19          3HG       LYS  19  -4.962  14.692  -3.192
  162   1HD   LYS  19          2HD       LYS  19  -5.876  13.035  -4.444
  163   2HD   LYS  19          3HD       LYS  19  -4.805  11.817  -3.775
  164   1HE   LYS  19          2HE       LYS  19  -6.646  10.964  -2.842
  165   2HE   LYS  19          3HE       LYS  19  -6.350  12.170  -1.595
  166   1HZ   LYS  19          1HZ       LYS  19  -8.470  11.941  -3.480
  167   2HZ   LYS  19          2HZ       LYS  19  -8.422  12.793  -2.080
  168   3HZ   LYS  19          3HZ       LYS  19  -7.846  13.467  -3.471
  169    H    SER  20           H        SER  20  -2.240  10.520  -2.714
  170    HA   SER  20           HA       SER  20  -3.541   8.947  -0.651
  171   1HB   SER  20          2HB       SER  20  -4.854   9.603  -3.290
  172   2HB   SER  20          3HB       SER  20  -5.014   7.964  -2.666
  173    HG   SER  20           HG       SER  20  -5.475   9.680  -0.660
  174    H    THR  21           H        THR  21  -1.137   8.729  -0.881
  175    HA   THR  21           HA       THR  21   0.030   7.092  -2.964
  176    HB   THR  21           HB       THR  21   0.646   7.698  -0.052
  177    HG1  THR  21          1HG       THR  21   0.775   9.190  -2.084
  178   1HG2  THR  21          1HG       THR  21   2.791   6.658  -1.879
  179   2HG2  THR  21          2HG       THR  21   2.618   6.582  -0.105
  180   3HG2  THR  21          3HG       THR  21   1.715   5.473  -1.117
  181    H    TRP  22           H        TRP  22  -1.677   5.557  -3.317
  182    HA   TRP  22           HA       TRP  22  -2.109   3.639  -1.110
  183   1HB   TRP  22          2HB       TRP  22  -3.199   3.923  -3.929
  184   2HB   TRP  22          3HB       TRP  22  -3.538   2.527  -2.910
  185    HD1  TRP  22           HD1      TRP  22  -3.464   5.568  -0.800
  186    HE1  TRP  22           HE1      TRP  22  -5.802   6.341  -0.211
  187    HE3  TRP  22           HE3      TRP  22  -6.037   2.634  -4.058
  188    HZ2  TRP  22           HZ2      TRP  22  -8.487   5.984  -1.305
  189    HZ3  TRP  22           HZ3      TRP  22  -8.473   2.950  -4.384
  190    HH2  TRP  22           HH2      TRP  22  -9.697   4.666  -3.048
  191    H    LEU  23           H        LEU  23  -1.940   1.274  -1.984
  192    HA   LEU  23           HA       LEU  23  -0.123   0.667  -4.073
  193   1HB   LEU  23          2HB       LEU  23   1.727  -0.276  -2.609
  194   2HB   LEU  23          3HB       LEU  23   1.669   1.453  -2.788
  195    HG   LEU  23           HG       LEU  23   0.387   1.513  -0.516
  196   1HD1  LEU  23          1HD       LEU  23   0.849  -0.353   0.944
  197   2HD1  LEU  23          2HD       LEU  23  -0.120  -0.918  -0.426
  198   3HD1  LEU  23          3HD       LEU  23   1.620  -1.233  -0.408
  199   1HD2  LEU  23          1HD       LEU  23   3.162   1.527  -1.175
  200   2HD2  LEU  23          2HD       LEU  23   2.365   2.194   0.237
  201   3HD2  LEU  23          3HD       LEU  23   2.998   0.536   0.283
  202    H    ILE  24           H        ILE  24   0.578  -1.787  -3.689
  203    HA   ILE  24           HA       ILE  24  -1.874  -3.149  -2.739
  204    HB   ILE  24           HB       ILE  24  -0.122  -3.825  -5.174
  205   1HG1  ILE  24          2HG       ILE  24  -2.938  -2.754  -5.030
  206   2HG1  ILE  24          3HG       ILE  24  -1.545  -1.769  -5.450
  207   1HG2  ILE  24          1HG       ILE  24  -1.572  -5.668  -5.548
  208   2HG2  ILE  24          2HG       ILE  24  -1.291  -5.727  -3.817
  209   3HG2  ILE  24          3HG       ILE  24  -2.800  -5.035  -4.420
  210   1HD1  ILE  24          1HD       ILE  24  -2.002  -4.215  -7.132
  211   2HD1  ILE  24          2HD       ILE  24  -3.028  -2.786  -7.361
  212   3HD1  ILE  24          3HD       ILE  24  -1.269  -2.654  -7.537
  213    H    LEU  25           H        LEU  25  -0.868  -3.744  -0.745
  214    HA   LEU  25           HA       LEU  25   1.597  -5.349  -0.998
  215   1HB   LEU  25          2HB       LEU  25   0.430  -3.641   1.173
  216   2HB   LEU  25          3HB       LEU  25   1.274  -5.103   1.683
  217    HG   LEU  25           HG       LEU  25   2.495  -3.157  -0.287
  218   1HD1  LEU  25          1HD       LEU  25   2.501  -3.228   2.750
  219   2HD1  LEU  25          2HD       LEU  25   3.825  -2.483   1.830
  220   3HD1  LEU  25          3HD       LEU  25   2.181  -1.833   1.719
  221   1HD2  LEU  25          1HD       LEU  25   3.815  -5.037   1.671
  222   2HD2  LEU  25          2HD       LEU  25   3.286  -5.567   0.081
  223   3HD2  LEU  25          3HD       LEU  25   4.486  -4.266   0.197
  224    H    HIS  26           H        HIS  26   0.713  -7.273  -1.744
  225    HA   HIS  26           HA       HIS  26  -0.029  -9.404  -1.369
  226   1HB   HIS  26          2HB       HIS  26  -0.962  -8.642   1.428
  227   2HB   HIS  26          3HB       HIS  26  -0.603 -10.225   0.798
  228    HD1  HIS  26           HD1      HIS  26   2.062 -10.856   0.647
  229    HD2  HIS  26           HD2      HIS  26   1.004  -7.180   2.400
  230    HE1  HIS  26           HE1      HIS  26   4.131 -10.016   1.892
  231    H    HIS  27           H        HIS  27  -1.624  -8.383  -3.028
  232    HA   HIS  27           HA       HIS  27  -3.708  -7.976  -3.793
  233   1HB   HIS  27          2HB       HIS  27  -5.315  -9.925  -3.317
  234   2HB   HIS  27          3HB       HIS  27  -3.786 -10.271  -4.099
  235    HD1  HIS  27           HD1      HIS  27  -2.026 -11.745  -2.768
  236    HD2  HIS  27           HD2      HIS  27  -5.580 -10.826  -0.710
  237    HE1  HIS  27           HE1      HIS  27  -2.059 -13.213  -0.670
  238    H    LYS  28           H        LYS  28  -3.275  -6.297  -1.736
  239    HA   LYS  28           HA       LYS  28  -5.962  -5.866  -0.618
  240   1HB   LYS  28          2HB       LYS  28  -3.311  -6.108   0.853
  241   2HB   LYS  28          3HB       LYS  28  -4.564  -5.044   1.477
  242   1HG   LYS  28          2HG       LYS  28  -4.903  -8.039   0.987
  243   2HG   LYS  28          3HG       LYS  28  -4.589  -7.271   2.546
  244   1HD   LYS  28          2HD       LYS  28  -6.752  -5.815   1.856
  245   2HD   LYS  28          3HD       LYS  28  -7.023  -7.226   0.813
  246   1HE   LYS  28          2HE       LYS  28  -6.611  -8.662   2.890
  247   2HE   LYS  28          3HE       LYS  28  -6.722  -7.172   3.839
  248   1HZ   LYS  28          1HZ       LYS  28  -8.948  -6.957   3.324
  249   2HZ   LYS  28          2HZ       LYS  28  -8.858  -7.883   1.963
  250   3HZ   LYS  28          3HZ       LYS  28  -8.809  -8.597   3.441
  251    H    VAL  29           H        VAL  29  -6.165  -3.486  -0.009
  252    HA   VAL  29           HA       VAL  29  -4.290  -1.839  -1.627
  253    HB   VAL  29           HB       VAL  29  -7.236  -1.965  -1.236
  254   1HG1  VAL  29          1HG       VAL  29  -7.177   0.110  -0.600
  255   2HG1  VAL  29          2HG       VAL  29  -5.732   0.586  -1.540
  256   3HG1  VAL  29          3HG       VAL  29  -7.320   0.393  -2.329
  257   1HG2  VAL  29          1HG       VAL  29  -6.758  -2.951  -3.165
  258   2HG2  VAL  29          2HG       VAL  29  -7.245  -1.320  -3.631
  259   3HG2  VAL  29          3HG       VAL  29  -5.505  -1.766  -3.620
  260    H    TYR  30           H        TYR  30  -2.999  -0.721  -0.248
  261    HA   TYR  30           HA       TYR  30  -4.101   0.085   2.377
  262   1HB   TYR  30          2HB       TYR  30  -1.369  -0.597   1.283
  263   2HB   TYR  30          3HB       TYR  30  -1.616   0.209   2.797
  264    HD1  TYR  30           HD1      TYR  30  -2.857  -0.976   4.655
  265    HD2  TYR  30           HD2      TYR  30  -1.661  -3.001   1.073
  266    HE1  TYR  30           HE1      TYR  30  -3.138  -3.209   5.773
  267    HE2  TYR  30           HE2      TYR  30  -1.732  -5.171   2.340
  268    HH   TYR  30           HH       TYR  30  -1.691  -5.581   5.421
  269    H    ASP  31           H        ASP  31  -3.487   2.233   3.051
  270    HA   ASP  31           HA       ASP  31  -2.643   4.129   0.957
  271   1HB   ASP  31          2HB       ASP  31  -5.108   4.277   1.367
  272   2HB   ASP  31          3HB       ASP  31  -4.776   4.629   3.075
  273    H    LEU  32           H        LEU  32  -0.828   4.992   1.637
  274    HA   LEU  32           HA       LEU  32  -0.399   5.274   4.567
  275   1HB   LEU  32          2HB       LEU  32   2.130   5.010   3.268
  276   2HB   LEU  32          3HB       LEU  32   1.402   4.086   4.575
  277    HG   LEU  32           HG       LEU  32   1.119   3.432   1.638
  278   1HD1  LEU  32          1HD       LEU  32   3.345   2.983   2.292
  279   2HD1  LEU  32          2HD       LEU  32   2.869   2.425   3.908
  280   3HD1  LEU  32          3HD       LEU  32   2.537   1.421   2.492
  281   1HD2  LEU  32          1HD       LEU  32   0.442   1.158   2.924
  282   2HD2  LEU  32          2HD       LEU  32  -0.179   2.333   4.117
  283   3HD2  LEU  32          3HD       LEU  32  -0.723   2.338   2.423
  284    H    THR  33           H        THR  33  -1.439   7.068   2.303
  285    HA   THR  33           HA       THR  33   0.351   9.188   1.823
  286    HB   THR  33           HB       THR  33  -2.531   8.796   1.725
  287    HG1  THR  33          1HG       THR  33  -0.776  10.752   0.663
  288   1HG2  THR  33          1HG       THR  33  -1.655  11.542   2.577
  289   2HG2  THR  33          2HG       THR  33  -3.243  11.103   1.891
  290   3HG2  THR  33          3HG       THR  33  -2.782  10.468   3.465
  291    H    LYS  34           H        LYS  34  -1.618   8.678   4.782
  292    HA   LYS  34           HA       LYS  34  -0.367  11.093   5.882
  293   1HB   LYS  34          2HB       LYS  34  -2.817  10.093   6.143
  294   2HB   LYS  34          3HB       LYS  34  -2.112   9.236   7.507
  295   1HG   LYS  34          2HG       LYS  34  -1.658  12.229   7.204
  296   2HG   LYS  34          3HG       LYS  34  -3.254  11.647   7.656
  297   1HD   LYS  34          2HD       LYS  34  -2.074  10.281   9.510
  298   2HD   LYS  34          3HD       LYS  34  -0.674  11.340   9.233
  299   1HE   LYS  34          2HE       LYS  34  -1.970  13.310   9.771
  300   2HE   LYS  34          3HE       LYS  34  -3.482  12.387   9.729
  301   1HZ   LYS  34          1HZ       LYS  34  -1.331  12.138  11.729
  302   2HZ   LYS  34          2HZ       LYS  34  -2.881  12.661  11.977
  303   3HZ   LYS  34          3HZ       LYS  34  -2.576  11.084  11.613
  304    H    PHE  35           H        PHE  35   0.726   8.017   5.473
  305    HA   PHE  35           HA       PHE  35   2.230   7.849   8.008
  306   1HB   PHE  35          2HB       PHE  35   0.749   5.978   7.292
  307   2HB   PHE  35          3HB       PHE  35   1.707   5.825   5.849
  308    HD1  PHE  35          1HD       PHE  35   2.558   6.047   9.564
  309    HD2  PHE  35          2HD       PHE  35   3.163   4.102   5.826
  310    HE1  PHE  35          1HE       PHE  35   4.277   4.598  10.592
  311    HE2  PHE  35          2HE       PHE  35   4.714   2.496   6.854
  312    HZ   PHE  35           HZ       PHE  35   5.465   2.847   9.182
  313    H    LEU  36           H        LEU  36   2.476   8.696   4.706
  314    HA   LEU  36           HA       LEU  36   5.135   7.996   4.009
  315   1HB   LEU  36          2HB       LEU  36   3.373  10.467   3.484
  316   2HB   LEU  36          3HB       LEU  36   5.009  10.370   2.836
  317    HG   LEU  36           HG       LEU  36   2.616   8.664   2.120
  318   1HD1  LEU  36          1HD       LEU  36   2.464   9.916   0.249
  319   2HD1  LEU  36          2HD       LEU  36   3.307  11.133   1.210
  320   3HD1  LEU  36          3HD       LEU  36   4.222  10.114   0.082
  321   1HD2  LEU  36          1HD       LEU  36   4.331   7.802   0.332
  322   2HD2  LEU  36          2HD       LEU  36   5.543   8.270   1.519
  323   3HD2  LEU  36          3HD       LEU  36   4.288   7.085   1.961
  324    H    GLU  37           H        GLU  37   4.326  11.064   5.602
  325    HA   GLU  37           HA       GLU  37   7.147  11.211   6.417
  326   1HB   GLU  37          2HB       GLU  37   4.729  13.010   6.721
  327   2HB   GLU  37          3HB       GLU  37   6.286  13.373   7.485
  328   1HG   GLU  37          2HG       GLU  37   6.744  12.608   4.707
  329   2HG   GLU  37          3HG       GLU  37   5.504  13.854   4.765
  330    H    GLU  38           H        GLU  38   5.365   8.979   7.425
  331    HA   GLU  38           HA       GLU  38   6.058   9.309  10.268
  332   1HB   GLU  38          2HB       GLU  38   3.358   9.145   9.169
  333   2HB   GLU  38          3HB       GLU  38   3.692   7.758  10.204
  334   1HG   GLU  38          2HG       GLU  38   4.630   9.652  11.839
  335   2HG   GLU  38          3HG       GLU  38   3.544  10.672  10.887
  336    H    HIS  39           HN       HIS  39   6.688   7.508   7.486
  337    HA   HIS  39           HA       HIS  39   6.546   4.948   8.787
  338   1HB   HIS  39          2HB       HIS  39   5.942   4.992   6.466
  339   2HB   HIS  39          3HB       HIS  39   7.400   5.849   6.051
  340    HD1  HIS  39           HND      HIS  39   9.042   4.539   4.942
  341    HD2  HIS  39           HD       HIS  39   6.725   2.126   7.424
  342    HE1  HIS  39           HE       HIS  39   9.757   2.193   4.455
  343    HA   PRO  40           HA       PRO  40  10.701   5.528  10.280
  344   1HB   PRO  40          2HB       PRO  40  11.071   3.034  11.447
  345   2HB   PRO  40          3HB       PRO  40  10.152   4.379  12.182
  346   1HG   PRO  40          2HG       PRO  40   9.144   1.948  10.806
  347   2HG   PRO  40          3HG       PRO  40   8.396   2.860  12.145
  348   1HD   PRO  40          2HD       PRO  40   7.711   2.984   9.419
  349   2HD   PRO  40          3HD       PRO  40   7.257   4.191  10.667
  350    H    GLY  41           H        GLY  41  11.556   5.770   8.217
  351   1HA   GLY  41          2HA       GLY  41  13.725   4.357   7.577
  352   2HA   GLY  41          3HA       GLY  41  12.472   3.421   6.719
  353    H    GLY  42           H        GLY  42  10.981   4.764   5.298
  354   1HA   GLY  42          2HA       GLY  42  12.088   7.258   4.279
  355   2HA   GLY  42          3HA       GLY  42  12.323   5.898   3.169
  356    H    GLU  43           H        GLU  43  10.531   8.430   3.145
  357    HA   GLU  43           HA       GLU  43   7.888   7.230   2.864
  358   1HB   GLU  43          2HB       GLU  43   7.168   9.444   2.640
  359   2HB   GLU  43          3HB       GLU  43   8.471   9.468   3.819
  360   1HG   GLU  43          2HG       GLU  43   9.207  11.241   2.687
  361   2HG   GLU  43          3HG       GLU  43   9.913  10.064   1.594
  362    H    GLU  44           H        GLU  44  10.568   8.047   0.800
  363    HA   GLU  44           HA       GLU  44   9.008   8.328  -1.619
  364   1HB   GLU  44          2HB       GLU  44  11.225   9.350  -1.474
  365   2HB   GLU  44          3HB       GLU  44  11.987   7.756  -1.375
  366   1HG   GLU  44          2HG       GLU  44  11.934   7.486  -3.624
  367   2HG   GLU  44          3HG       GLU  44  10.216   7.834  -3.705
  368    H    VAL  45           H        VAL  45  10.754   5.591  -0.099
  369    HA   VAL  45           HA       VAL  45  10.398   3.713  -2.186
  370    HB   VAL  45           HB       VAL  45  10.225   2.076  -0.273
  371   1HG1  VAL  45          1HG       VAL  45  12.517   2.054   0.075
  372   2HG1  VAL  45          2HG       VAL  45  12.355   2.943  -1.447
  373   3HG1  VAL  45          3HG       VAL  45  12.657   3.828   0.059
  374   1HG2  VAL  45          1HG       VAL  45   9.366   3.960   1.374
  375   2HG2  VAL  45          2HG       VAL  45  10.398   2.658   1.960
  376   3HG2  VAL  45          3HG       VAL  45  11.087   4.253   1.619
  377    H    LEU  46           H        LEU  46   8.131   5.339  -0.130
  378    HA   LEU  46           HA       LEU  46   6.100   3.098  -0.486
  379   1HB   LEU  46          2HB       LEU  46   5.624   5.868   0.614
  380   2HB   LEU  46          3HB       LEU  46   4.537   4.473   0.701
  381    HG   LEU  46           HG       LEU  46   7.123   5.032   2.166
  382   1HD1  LEU  46          1HD       LEU  46   5.774   5.352   3.923
  383   2HD1  LEU  46          2HD       LEU  46   4.365   5.090   2.891
  384   3HD1  LEU  46          3HD       LEU  46   5.087   3.721   3.748
  385   1HD2  LEU  46          1HD       LEU  46   7.149   2.753   3.064
  386   2HD2  LEU  46          2HD       LEU  46   5.867   2.274   1.920
  387   3HD2  LEU  46          3HD       LEU  46   7.476   2.777   1.343
  388    H    ARG  47           H        ARG  47   7.053   6.107  -2.005
  389    HA   ARG  47           HA       ARG  47   4.746   6.151  -3.778
  390   1HB   ARG  47          2HB       ARG  47   6.414   8.104  -2.870
  391   2HB   ARG  47          3HB       ARG  47   7.194   7.717  -4.410
  392   1HG   ARG  47          2HG       ARG  47   4.560   7.820  -5.209
  393   2HG   ARG  47          3HG       ARG  47   4.517   8.916  -3.814
  394   1HD   ARG  47          2HD       ARG  47   6.732   9.876  -4.955
  395   2HD   ARG  47          3HD       ARG  47   6.044   9.110  -6.410
  396    HE   ARG  47           HE       ARG  47   3.993  10.558  -5.229
  397   1HH1  ARG  47          2HH       ARG  47   7.161  11.202  -6.603
  398   2HH1  ARG  47          1HH       ARG  47   6.854  12.834  -7.073
  399   1HH2  ARG  47          2HH       ARG  47   3.560  12.837  -5.715
  400   2HH2  ARG  47          1HH       ARG  47   4.723  13.775  -6.569
  401    H    GLU  48           H        GLU  48   7.999   4.771  -3.780
  402    HA   GLU  48           HA       GLU  48   8.307   4.613  -6.619
  403   1HB   GLU  48          2HB       GLU  48   9.759   3.759  -4.232
  404   2HB   GLU  48          3HB       GLU  48   9.689   2.433  -5.383
  405   1HG   GLU  48          2HG       GLU  48  10.409   4.256  -7.145
  406   2HG   GLU  48          3HG       GLU  48  10.914   5.175  -5.721
  407    H    GLN  49           H        GLN  49   6.505   2.741  -4.324
  408    HA   GLN  49           HA       GLN  49   5.728   0.805  -6.469
  409   1HB   GLN  49          2HB       GLN  49   5.727   0.548  -3.447
  410   2HB   GLN  49          3HB       GLN  49   5.292  -0.729  -4.609
  411   1HG   GLN  49          2HG       GLN  49   8.067   0.547  -4.363
  412   2HG   GLN  49          3HG       GLN  49   7.566  -0.977  -3.663
  413   1HE2  GLN  49          1HE       GLN  49   9.760  -1.018  -5.470
  414   2HE2  GLN  49          2HE       GLN  49   9.148  -1.982  -6.817
  415    H    ALA  50           H        ALA  50   4.722   3.567  -5.213
  416    HA   ALA  50           HA       ALA  50   2.163   3.034  -4.155
  417   1HB   ALA  50          1HB       ALA  50   1.625   5.377  -4.930
  418   2HB   ALA  50          2HB       ALA  50   2.953   5.208  -3.821
  419   3HB   ALA  50          3HB       ALA  50   3.273   5.470  -5.576
  420    H    GLY  51           H        GLY  51   0.091   3.099  -5.079
  421   1HA   GLY  51          2HA       GLY  51  -1.465   2.288  -6.521
  422   2HA   GLY  51          3HA       GLY  51  -0.629   3.233  -7.759
  423    H    GLY  52           H        GLY  52   1.191   0.596  -6.065
  424   1HA   GLY  52          2HA       GLY  52   0.895  -1.181  -8.386
  425   2HA   GLY  52          3HA       GLY  52   2.459  -0.387  -8.071
  426    H    ASP  53           H        ASP  53   2.823  -2.934  -7.952
  427    HA   ASP  53           HA       ASP  53   1.951  -4.174  -5.452
  428   1HB   ASP  53          2HB       ASP  53   2.913  -5.113  -7.997
  429   2HB   ASP  53          3HB       ASP  53   4.028  -5.687  -6.758
  430    H    ALA  54           H        ALA  54   2.895  -3.438  -3.612
  431    HA   ALA  54           HA       ALA  54   5.811  -2.810  -3.803
  432   1HB   ALA  54          1HB       ALA  54   4.219  -2.273  -1.326
  433   2HB   ALA  54          2HB       ALA  54   5.623  -1.440  -2.022
  434   3HB   ALA  54          3HB       ALA  54   4.021  -1.199  -2.732
  435    H    THR  55           H        THR  55   3.803  -5.478  -3.022
  436    HA   THR  55           HA       THR  55   4.909  -6.475  -0.722
  437    HB   THR  55           HB       THR  55   3.964  -7.848  -3.291
  438    HG1  THR  55          1HG       THR  55   2.666  -7.407  -0.831
  439   1HG2  THR  55          1HG       THR  55   5.122  -9.473  -1.902
  440   2HG2  THR  55          2HG       THR  55   4.333  -8.826  -0.449
  441   3HG2  THR  55          3HG       THR  55   3.369  -9.689  -1.687
  442    H    GLU  56           H        GLU  56   6.266  -6.758  -4.063
  443    HA   GLU  56           HA       GLU  56   8.305  -8.557  -3.430
  444   1HB   GLU  56          2HB       GLU  56   9.608  -7.394  -5.227
  445   2HB   GLU  56          3HB       GLU  56   7.984  -7.906  -5.699
  446   1HG   GLU  56          2HG       GLU  56   7.100  -5.708  -5.629
  447   2HG   GLU  56          3HG       GLU  56   8.458  -5.066  -4.715
  448    H    ASN  57           H        ASN  57   8.143  -5.106  -2.670
  449    HA   ASN  57           HA       ASN  57  10.894  -4.920  -1.666
  450   1HB   ASN  57          2HB       ASN  57   8.596  -3.096  -2.107
  451   2HB   ASN  57          3HB       ASN  57   9.325  -2.859  -0.529
  452   1HD2  ASN  57          1HD       ASN  57   9.715  -2.313  -3.910
  453   2HD2  ASN  57          2HD       ASN  57  11.306  -1.539  -3.742
  454    H    PHE  58           H        PHE  58   7.640  -4.772  -0.329
  455    HA   PHE  58           HA       PHE  58   8.468  -4.747   2.459
  456   1HB   PHE  58          2HB       PHE  58   6.144  -4.515   1.579
  457   2HB   PHE  58          3HB       PHE  58   6.014  -6.275   1.589
  458    HD1  PHE  58          1HD       PHE  58   5.363  -3.311   3.375
  459    HD2  PHE  58          2HD       PHE  58   6.584  -7.389   4.039
  460    HE1  PHE  58          1HE       PHE  58   4.514  -3.196   5.705
  461    HE2  PHE  58          2HE       PHE  58   5.763  -7.234   6.371
  462    HZ   PHE  58           HZ       PHE  58   4.723  -5.140   7.202
  463    H    GLU  59           H        GLU  59   8.234  -7.584   0.378
  464    HA   GLU  59           HA       GLU  59   8.879  -9.541   2.464
  465   1HB   GLU  59          2HB       GLU  59   8.041  -9.531  -0.398
  466   2HB   GLU  59          3HB       GLU  59   9.153 -10.801  -0.003
  467   1HG   GLU  59          2HG       GLU  59   6.743 -10.319   1.776
  468   2HG   GLU  59          3HG       GLU  59   6.537 -11.136   0.228
  469    H    ASP  60           H        ASP  60  10.562  -7.917  -0.307
  470    HA   ASP  60           HA       ASP  60  12.915  -9.442  -0.310
  471   1HB   ASP  60          2HB       ASP  60  12.151  -6.735  -1.233
  472   2HB   ASP  60          3HB       ASP  60  13.731  -6.697  -0.539
  473    H    VAL  61           H        VAL  61  11.971  -6.631   1.650
  474    HA   VAL  61           HA       VAL  61  14.409  -6.916   3.159
  475    HB   VAL  61           HB       VAL  61  12.029  -5.100   3.640
  476   1HG1  VAL  61          1HG       VAL  61  12.876  -4.531   5.652
  477   2HG1  VAL  61          2HG       VAL  61  14.142  -5.761   5.503
  478   3HG1  VAL  61          3HG       VAL  61  14.437  -4.130   4.917
  479   1HG2  VAL  61          1HG       VAL  61  13.305  -4.571   1.599
  480   2HG2  VAL  61          2HG       VAL  61  13.630  -3.348   2.835
  481   3HG2  VAL  61          3HG       VAL  61  14.828  -4.623   2.511
  482    H    GLY  62           H        GLY  62  10.940  -7.622   3.594
  483   1HA   GLY  62          2HA       GLY  62  10.375  -9.778   4.531
  484   2HA   GLY  62          3HA       GLY  62  11.694  -9.598   5.704
  485    H    HIS  63           HN       HIS  63  11.372  -6.898   6.357
  486    HA   HIS  63           HA       HIS  63  10.520  -5.669   7.961
  487   1HB   HIS  63          2HB       HIS  63   8.050  -6.496   6.472
  488   2HB   HIS  63          3HB       HIS  63   7.813  -5.616   7.941
  489    HD1  HIS  63           HND      HIS  63   9.368  -5.127   4.499
  490    HD2  HIS  63           HD       HIS  63   7.989  -2.997   7.838
  491    HE1  HIS  63           HE       HIS  63   9.325  -2.688   3.818
  492    H    SER  64           H        SER  64   8.955  -5.658   9.995
  493    HA   SER  64           HA       SER  64   8.986  -8.370  11.222
  494   1HB   SER  64          2HB       SER  64   8.921  -5.582  12.434
  495   2HB   SER  64          3HB       SER  64   8.862  -7.108  13.352
  496    HG   SER  64           HG       SER  64  11.011  -6.489  13.194
  497    H    THR  65           H        THR  65   7.124  -8.737  12.844
  498    HA   THR  65           HA       THR  65   4.705  -8.592  11.468
  499    HB   THR  65           HB       THR  65   5.485  -9.275  14.317
  500    HG1  THR  65          1HG       THR  65   5.344 -11.366  13.378
  501   1HG2  THR  65          1HG       THR  65   2.849  -9.539  12.844
  502   2HG2  THR  65          2HG       THR  65   3.297 -10.646  14.170
  503   3HG2  THR  65          3HG       THR  65   3.165  -8.903  14.475
  504    H    ASP  66           H        ASP  66   5.994  -6.511  14.091
  505    HA   ASP  66           HA       ASP  66   3.676  -5.012  14.737
  506   1HB   ASP  66          2HB       ASP  66   6.544  -4.850  15.098
  507   2HB   ASP  66          3HB       ASP  66   6.033  -3.306  14.437
  508    H    ALA  67           H        ALA  67   5.996  -4.851  12.156
  509    HA   ALA  67           HA       ALA  67   4.958  -2.495  10.876
  510   1HB   ALA  67          1HB       ALA  67   7.368  -3.712  11.010
  511   2HB   ALA  67          2HB       ALA  67   6.791  -4.461   9.523
  512   3HB   ALA  67          3HB       ALA  67   6.927  -2.694   9.678
  513    H    ARG  68           H        ARG  68   4.405  -6.047  10.576
  514    HA   ARG  68           HA       ARG  68   2.759  -5.727   8.259
  515   1HB   ARG  68          2HB       ARG  68   3.635  -7.920   9.718
  516   2HB   ARG  68          3HB       ARG  68   1.958  -7.863  10.213
  517   1HG   ARG  68          2HG       ARG  68   1.536  -9.070   8.365
  518   2HG   ARG  68          3HG       ARG  68   1.686  -7.560   7.482
  519   1HD   ARG  68          2HD       ARG  68   3.408  -8.447   6.328
  520   2HD   ARG  68          3HD       ARG  68   4.360  -8.503   7.818
  521    HE   ARG  68           HE       ARG  68   2.650 -10.755   7.769
  522   1HH1  ARG  68          2HH       ARG  68   5.509  -9.512   6.082
  523   2HH1  ARG  68          1HH       ARG  68   6.064 -11.046   5.539
  524   1HH2  ARG  68          2HH       ARG  68   3.416 -12.856   7.090
  525   2HH2  ARG  68          1HH       ARG  68   4.857 -12.971   6.142
  526    H    GLU  69           H        GLU  69   2.211  -5.060  11.771
  527    HA   GLU  69           HA       GLU  69  -0.716  -5.392  11.722
  528   1HB   GLU  69          2HB       GLU  69   1.384  -4.644  13.775
  529   2HB   GLU  69          3HB       GLU  69  -0.262  -4.119  14.060
  530   1HG   GLU  69          2HG       GLU  69  -0.173  -6.939  13.269
  531   2HG   GLU  69          3HG       GLU  69   0.817  -6.614  14.695
  532    H    LEU  70           H        LEU  70   1.563  -2.554  11.863
  533    HA   LEU  70           HA       LEU  70  -0.390  -0.540  11.950
  534   1HB   LEU  70          2HB       LEU  70   2.305  -0.927  10.668
  535   2HB   LEU  70          3HB       LEU  70   1.433   0.548  10.400
  536    HG   LEU  70           HG       LEU  70   1.796  -0.458  13.195
  537   1HD1  LEU  70          1HD       LEU  70   3.966   1.252  11.954
  538   2HD1  LEU  70          2HD       LEU  70   3.995   0.289  13.452
  539   3HD1  LEU  70          3HD       LEU  70   4.064  -0.525  11.892
  540   1HD2  LEU  70          1HD       LEU  70   0.496   1.486  13.077
  541   2HD2  LEU  70          2HD       LEU  70   2.115   2.126  13.458
  542   3HD2  LEU  70          3HD       LEU  70   1.507   2.194  11.793
  543    H    SER  71           H        SER  71   0.557  -2.800   9.305
  544    HA   SER  71           HA       SER  71  -0.670  -1.322   7.322
  545   1HB   SER  71          2HB       SER  71  -0.444  -3.020   5.884
  546   2HB   SER  71          3HB       SER  71   0.729  -3.477   7.101
  547    HG   SER  71           HG       SER  71  -1.859  -4.496   7.423
  548    H    LYS  72           H        LYS  72  -2.199  -3.318   9.758
  549    HA   LYS  72           HA       LYS  72  -4.772  -3.481   8.589
  550   1HB   LYS  72          2HB       LYS  72  -3.621  -4.561  10.784
  551   2HB   LYS  72          3HB       LYS  72  -4.416  -3.197  11.568
  552   1HG   LYS  72          2HG       LYS  72  -6.137  -4.726  11.711
  553   2HG   LYS  72          3HG       LYS  72  -6.524  -4.076  10.110
  554   1HD   LYS  72          2HD       LYS  72  -5.133  -5.912   9.093
  555   2HD   LYS  72          3HD       LYS  72  -4.891  -6.594  10.707
  556   1HE   LYS  72          2HE       LYS  72  -7.673  -6.060   9.606
  557   2HE   LYS  72          3HE       LYS  72  -6.794  -7.536   9.182
  558   1HZ   LYS  72          1HZ       LYS  72  -6.633  -8.064  11.517
  559   2HZ   LYS  72          2HZ       LYS  72  -7.451  -6.699  11.933
  560   3HZ   LYS  72          3HZ       LYS  72  -8.208  -7.886  11.079
  561    H    THR  73           H        THR  73  -3.188  -0.722  10.157
  562    HA   THR  73           HA       THR  73  -5.743   0.723  10.369
  563    HB   THR  73           HB       THR  73  -3.787   0.658  12.091
  564    HG1  THR  73          1HG       THR  73  -5.160   2.999  11.307
  565   1HG2  THR  73          1HG       THR  73  -2.984   3.257  10.813
  566   2HG2  THR  73          2HG       THR  73  -2.101   2.225  11.958
  567   3HG2  THR  73          3HG       THR  73  -2.205   1.783  10.247
  568    H    PHE  74           H        PHE  74  -3.805   0.069   7.898
  569    HA   PHE  74           HA       PHE  74  -4.002   2.686   6.467
  570   1HB   PHE  74          2HB       PHE  74  -2.079   0.376   6.165
  571   2HB   PHE  74          3HB       PHE  74  -2.092   1.847   5.204
  572    HD1  PHE  74          1HD       PHE  74   0.152   0.545   6.764
  573    HD2  PHE  74          2HD       PHE  74  -2.596   3.710   7.779
  574    HE1  PHE  74          1HE       PHE  74   1.887   1.648   8.092
  575    HE2  PHE  74          2HE       PHE  74  -0.906   4.640   9.337
  576    HZ   PHE  74           HZ       PHE  74   1.312   3.540   9.518
  577    H    ILE  75           H        ILE  75  -4.923  -0.808   6.421
  578    HA   ILE  75           HA       ILE  75  -5.388  -0.920   3.654
  579    HB   ILE  75           HB       ILE  75  -5.713  -2.595   5.884
  580   1HG1  ILE  75          2HG       ILE  75  -6.599  -3.324   3.100
  581   2HG1  ILE  75          3HG       ILE  75  -4.923  -2.981   3.415
  582   1HG2  ILE  75          1HG       ILE  75  -8.378  -2.388   4.413
  583   2HG2  ILE  75          2HG       ILE  75  -7.919  -3.657   5.559
  584   3HG2  ILE  75          3HG       ILE  75  -8.086  -2.001   6.130
  585   1HD1  ILE  75          1HD       ILE  75  -5.025  -4.692   5.336
  586   2HD1  ILE  75          2HD       ILE  75  -6.585  -5.198   4.663
  587   3HD1  ILE  75          3HD       ILE  75  -5.106  -5.333   3.696
  588    H    ILE  76           H        ILE  76  -6.700   0.209   2.417
  589    HA   ILE  76           HA       ILE  76  -9.107   1.464   3.671
  590    HB   ILE  76           HB       ILE  76  -9.014   3.168   1.973
  591   1HG1  ILE  76          2HG       ILE  76  -6.698   3.215   0.612
  592   2HG1  ILE  76          3HG       ILE  76  -6.728   1.507   0.853
  593   1HG2  ILE  76          1HG       ILE  76  -7.184   4.383   2.789
  594   2HG2  ILE  76          2HG       ILE  76  -7.621   3.280   4.119
  595   3HG2  ILE  76          3HG       ILE  76  -6.231   2.914   3.078
  596   1HD1  ILE  76          1HD       ILE  76  -7.735   2.403  -1.271
  597   2HD1  ILE  76          2HD       ILE  76  -8.927   1.488  -0.355
  598   3HD1  ILE  76          3HD       ILE  76  -8.933   3.275  -0.301
  599    H    GLY  77           H        GLY  77  -8.175  -1.195   1.805
  600   1HA   GLY  77          2HA       GLY  77 -10.777  -1.938   1.145
  601   2HA   GLY  77          3HA       GLY  77 -10.100  -1.107  -0.271
  602    H    GLU  78           H        GLU  78 -10.277  -3.270  -1.332
  603    HA   GLU  78           HA       GLU  78  -7.797  -4.736  -1.025
  604   1HB   GLU  78          2HB       GLU  78  -9.149  -5.958   0.494
  605   2HB   GLU  78          3HB       GLU  78 -10.552  -5.914  -0.534
  606   1HG   GLU  78          2HG       GLU  78  -8.230  -7.285  -1.802
  607   2HG   GLU  78          3HG       GLU  78  -8.680  -7.975  -0.250
  608    H    LEU  79           H        LEU  79  -7.336  -5.896  -3.034
  609    HA   LEU  79           HA       LEU  79  -8.053  -4.602  -5.421
  610   1HB   LEU  79          2HB       LEU  79  -6.502  -6.982  -4.477
  611   2HB   LEU  79          3HB       LEU  79  -7.248  -7.217  -6.052
  612    HG   LEU  79           HG       LEU  79  -6.256  -5.238  -6.928
  613   1HD1  LEU  79          1HD       LEU  79  -5.054  -4.796  -4.176
  614   2HD1  LEU  79          2HD       LEU  79  -4.536  -3.977  -5.678
  615   3HD1  LEU  79          3HD       LEU  79  -6.156  -3.732  -5.083
  616   1HD2  LEU  79          1HD       LEU  79  -4.081  -6.778  -5.463
  617   2HD2  LEU  79          2HD       LEU  79  -4.951  -7.421  -6.869
  618   3HD2  LEU  79          3HD       LEU  79  -3.941  -5.969  -7.024
  619    H    HIS  80           H        HIS  80  -9.622  -4.922  -6.885
  620    HA   HIS  80           HA       HIS  80 -12.027  -5.962  -6.238
  621   1HB   HIS  80          2HB       HIS  80 -10.703  -5.124  -8.709
  622   2HB   HIS  80          3HB       HIS  80 -11.774  -6.479  -9.037
  623    HD1  HIS  80           HD1      HIS  80 -13.813  -5.226 -10.133
  624    HD2  HIS  80           HD2      HIS  80 -12.418  -3.605  -6.519
  625    HE1  HIS  80           HE1      HIS  80 -15.444  -3.356  -9.489
  626    HA   PRO  81           HA       PRO  81 -12.010 -10.197  -6.205
  627   1HB   PRO  81          2HB       PRO  81 -14.565 -10.899  -7.084
  628   2HB   PRO  81          3HB       PRO  81 -14.192 -10.182  -5.488
  629   1HG   PRO  81          2HG       PRO  81 -15.304  -8.847  -7.941
  630   2HG   PRO  81          3HG       PRO  81 -15.640  -8.506  -6.217
  631   1HD   PRO  81          2HD       PRO  81 -13.915  -7.057  -7.859
  632   2HD   PRO  81          3HD       PRO  81 -13.852  -7.057  -6.070
  633    H    ASP  82           H        ASP  82 -13.178  -8.940  -9.330
  634    HA   ASP  82           HA       ASP  82 -12.829 -11.278 -10.889
  635   1HB   ASP  82          2HB       ASP  82 -13.847  -8.889 -11.378
  636   2HB   ASP  82          3HB       ASP  82 -12.224  -8.496 -11.937
  637    H    ASP  83           H        ASP  83 -10.613  -8.659  -9.983
  638    HA   ASP  83           HA       ASP  83  -8.257 -10.065 -11.066
  639   1HB   ASP  83          2HB       ASP  83  -8.785  -7.261 -10.036
  640   2HB   ASP  83          3HB       ASP  83  -7.145  -7.865 -10.302
  641    H    ARG  84           H        ARG  84  -9.614 -11.324  -8.881
  642    HA   ARG  84           HA       ARG  84  -7.474 -11.023  -6.786
  643   1HB   ARG  84          2HB       ARG  84  -9.739 -10.510  -5.994
  644   2HB   ARG  84          3HB       ARG  84 -10.278 -12.149  -6.431
  645   1HG   ARG  84          2HG       ARG  84  -8.765 -13.147  -4.815
  646   2HG   ARG  84          3HG       ARG  84  -7.977 -11.588  -4.530
  647   1HD   ARG  84          2HD       ARG  84  -9.361 -11.241  -2.854
  648   2HD   ARG  84          3HD       ARG  84 -10.688 -11.054  -4.011
  649    HE   ARG  84           HE       ARG  84 -10.395 -13.802  -3.575
  650   1HH1  ARG  84          2HH       ARG  84 -11.129 -10.941  -1.661
  651   2HH1  ARG  84          1HH       ARG  84 -12.059 -11.734  -0.454
  652   1HH2  ARG  84          2HH       ARG  84 -11.582 -14.967  -1.922
  653   2HH2  ARG  84          1HH       ARG  84 -12.298 -14.103  -0.607
  654    H    SER  85           H        SER  85  -9.293 -13.408  -8.735
  655    HA   SER  85           HA       SER  85  -7.161 -15.378  -8.018
  656   1HB   SER  85          2HB       SER  85  -9.649 -15.527  -6.962
  657   2HB   SER  85          3HB       SER  85  -9.907 -16.441  -8.460
  658    HG   SER  85           HG       SER  85  -9.041 -17.959  -7.224
  659    H    LYS  86           H        LYS  86  -7.249 -13.626 -10.314
  660    HA   LYS  86           HA       LYS  86  -7.173 -15.687 -12.392
  661   1HB   LYS  86          2HB       LYS  86  -9.535 -14.225 -11.990
  662   2HB   LYS  86          3HB       LYS  86  -8.799 -13.395 -13.350
  663   1HG   LYS  86          2HG       LYS  86  -8.987 -16.442 -13.218
  664   2HG   LYS  86          3HG       LYS  86 -10.357 -15.479 -13.743
  665   1HD   LYS  86          2HD       LYS  86  -9.486 -15.024 -15.757
  666   2HD   LYS  86          3HD       LYS  86  -7.877 -14.695 -15.134
  667   1HE   LYS  86          2HE       LYS  86  -7.089 -16.716 -15.604
  668   2HE   LYS  86          3HE       LYS  86  -8.487 -17.547 -14.908
  669   1HZ   LYS  86          1HZ       LYS  86  -8.617 -16.249 -17.543
  670   2HZ   LYS  86          2HZ       LYS  86  -8.120 -17.810 -17.367
  671   3HZ   LYS  86          3HZ       LYS  86  -9.637 -17.373 -16.908
  672    H    LEU  87           H        LEU  87  -5.119 -14.201 -11.133
  673    HA   LEU  87           HA       LEU  87  -4.234 -12.274 -13.239
  674   1HB   LEU  87          2HB       LEU  87  -3.849 -12.494 -10.252
  675   2HB   LEU  87          3HB       LEU  87  -2.607 -11.703 -11.219
  676    HG   LEU  87           HG       LEU  87  -5.526 -10.935 -11.543
  677   1HD1  LEU  87          1HD       LEU  87  -3.574 -10.139  -9.372
  678   2HD1  LEU  87          2HD       LEU  87  -4.898  -9.056  -9.879
  679   3HD1  LEU  87          3HD       LEU  87  -5.263 -10.664  -9.243
  680   1HD2  LEU  87          1HD       LEU  87  -3.043 -10.133 -12.765
  681   2HD2  LEU  87          2HD       LEU  87  -4.674  -9.490 -13.031
  682   3HD2  LEU  87          3HD       LEU  87  -3.637  -8.774 -11.793
  683    H    SER  88           H        SER  88  -3.131 -13.562 -14.670
  684    HA   SER  88           HA       SER  88  -0.568 -14.470 -13.944
  685   1HB   SER  88          2HB       SER  88  -2.131 -16.364 -12.961
  686   2HB   SER  88          3HB       SER  88  -2.286 -16.875 -14.643
  687    HG   SER  88           HG       SER  88  -0.445 -17.632 -13.145
  688    H    LYS  89           H        LYS  89  -3.261 -15.455 -16.120
  689    HA   LYS  89           HA       LYS  89  -1.605 -15.907 -18.380
  690   1HB   LYS  89          2HB       LYS  89  -4.505 -15.874 -17.814
  691   2HB   LYS  89          3HB       LYS  89  -4.123 -15.239 -19.415
  692   1HG   LYS  89          2HG       LYS  89  -4.409 -17.593 -19.675
  693   2HG   LYS  89          3HG       LYS  89  -2.690 -17.238 -19.858
  694   1HD   LYS  89          2HD       LYS  89  -2.481 -17.893 -17.328
  695   2HD   LYS  89          3HD       LYS  89  -4.131 -18.510 -17.504
  696   1HE   LYS  89          2HE       LYS  89  -2.888 -20.421 -18.015
  697   2HE   LYS  89          3HE       LYS  89  -3.190 -19.738 -19.619
  698   1HZ   LYS  89          1HZ       LYS  89  -0.943 -18.594 -19.234
  699   2HZ   LYS  89          2HZ       LYS  89  -0.708 -19.721 -18.057
  700   3HZ   LYS  89          3HZ       LYS  89  -0.944 -20.191 -19.615
  701    HA   PRO  90           HA       PRO  90  -0.884 -11.554 -19.057
  702   1HB   PRO  90          2HB       PRO  90   0.993 -11.811 -21.090
  703   2HB   PRO  90          3HB       PRO  90   1.348 -11.962 -19.347
  704   1HG   PRO  90          2HG       PRO  90   1.101 -14.126 -21.398
  705   2HG   PRO  90          3HG       PRO  90   2.071 -14.084 -19.895
  706   1HD   PRO  90          2HD       PRO  90  -0.416 -15.382 -20.262
  707   2HD   PRO  90          3HD       PRO  90   0.380 -15.041 -18.699
  708    H    MET  91           H        MET  91  -1.161 -13.788 -21.930
  709    HA   MET  91           HA       MET  91  -3.454 -12.356 -22.889
  710   1HB   MET  91          2HB       MET  91  -0.927 -11.297 -23.624
  711   2HB   MET  91          3HB       MET  91  -1.373 -12.292 -25.005
  712   1HG   MET  91          2HG       MET  91  -3.200 -10.982 -25.530
  713   2HG   MET  91          3HG       MET  91  -3.499 -10.508 -23.858
  714   1HE   MET  91          1HE       MET  91  -3.436  -8.196 -23.219
  715   2HE   MET  91          2HE       MET  91  -1.954  -8.840 -22.481
  716   3HE   MET  91          3HE       MET  91  -1.933  -7.252 -23.283
  717    H    GLU  92           H        GLU  92  -4.578 -13.751 -24.259
  718    HA   GLU  92           HA       GLU  92  -3.518 -15.713 -25.928
  719   1HB   GLU  92          2HB       GLU  92  -2.923 -16.978 -23.855
  720   2HB   GLU  92          3HB       GLU  92  -4.573 -16.832 -23.270
  721   1HG   GLU  92          2HG       GLU  92  -4.127 -19.048 -24.198
  722   2HG   GLU  92          3HG       GLU  92  -5.358 -18.234 -25.153
  723    H    THR  93           H        THR  93  -6.187 -15.529 -23.576
  724    HA   THR  93           HA       THR  93  -8.413 -15.595 -23.762
  725    HB   THR  93           HB       THR  93  -9.524 -13.936 -25.147
  726    HG1  THR  93          1HG       THR  93  -8.172 -13.954 -27.009
  727   1HG2  THR  93          1HG       THR  93  -7.596 -13.469 -23.109
  728   2HG2  THR  93          2HG       THR  93  -7.337 -12.209 -24.326
  729   3HG2  THR  93          3HG       THR  93  -8.939 -12.426 -23.602
  730    H    LEU  94           H        LEU  94 -10.162 -15.576 -26.164
  731    HA   LEU  94           HA       LEU  94  -9.350 -17.489 -28.038
  732   1HB   LEU  94          2HB       LEU  94  -9.477 -19.190 -26.372
  733   2HB   LEU  94          3HB       LEU  94 -10.909 -18.471 -25.632
  734    HG   LEU  94           HG       LEU  94 -12.294 -19.190 -27.511
  735   1HD1  LEU  94          1HD       LEU  94  -9.858 -20.690 -28.605
  736   2HD1  LEU  94          2HD       LEU  94 -11.488 -20.565 -29.314
  737   3HD1  LEU  94          3HD       LEU  94 -10.424 -19.159 -29.287
  738   1HD2  LEU  94          1HD       LEU  94 -11.685 -20.670 -25.503
  739   2HD2  LEU  94          2HD       LEU  94 -12.359 -21.480 -26.927
  740   3HD2  LEU  94          3HD       LEU  94 -10.613 -21.549 -26.605
  741    HHA  HEM  95          MHG       HEM  95  11.954  -0.182   8.640
  742    HHB  HEM  95          MHD       HEM  95   5.606  -0.302   9.556
  743    HHC  HEM  95          MHA       HEM  95   4.727  -0.825   3.237
  744    HHD  HEM  95          MHB       HEM  95  11.009   0.049   2.240
  745   1HMA  HEM  95          1HM       HEM  95   7.191   0.629  11.766
  746   2HMA  HEM  95          2HM       HEM  95   6.676  -1.042  11.509
  747   3HMA  HEM  95          3HM       HEM  95   8.179  -0.721  12.349
  748   1HAA  HEM  95          1HP       HEM  95  10.260  -0.414  12.031
  749   2HAA  HEM  95          2HP       HEM  95  11.471   0.161  10.906
  750   1HBA  HEM  95          3HP       HEM  95  12.048  -2.031  10.200
  751   2HBA  HEM  95          4HP       HEM  95  10.525  -2.715  10.778
  752   1HMB  HEM  95          1HM       HEM  95   3.302   0.430   8.820
  753   2HMB  HEM  95          2HM       HEM  95   2.245  -0.698   7.872
  754   3HMB  HEM  95          3HM       HEM  95   3.522  -1.269   8.964
  755    HAB  HEM  95          AHT       HEM  95   2.792  -1.776   4.468
  756   1HBB  HEM  95          CHV       HEM  95   1.982   0.985   5.413
  757   2HBB  HEM  95          THV       HEM  95   0.911  -0.278   4.546
  758   1HMC  HEM  95          1HM       HEM  95   5.873  -2.142   0.883
  759   2HMC  HEM  95          2HM       HEM  95   5.033  -0.577   1.069
  760   3HMC  HEM  95          3HM       HEM  95   6.264  -0.778  -0.153
  761    HAC  HEM  95          AHT       HEM  95  10.091  -0.672   0.238
  762   1HBC  HEM  95          THV       HEM  95   9.108   0.296  -1.712
  763   2HBC  HEM  95          CHV       HEM  95   7.595   0.764  -0.748
  764   1HMD  HEM  95          1HM       HEM  95  14.408   0.206   3.857
  765   2HMD  HEM  95          2HM       HEM  95  13.206  -0.286   2.669
  766   3HMD  HEM  95          3HM       HEM  95  13.301   1.418   3.154
  767   1HAD  HEM  95          1HP       HEM  95  14.525  -0.562   6.394
  768   2HAD  HEM  95          2HP       HEM  95  13.810   0.325   7.729
  769   1HBD  HEM  95          3HP       HEM  95  14.435   2.383   6.967
  770   2HBD  HEM  95          4HP       HEM  95  14.479   1.925   5.272
  Start of MODEL   24
    1   1H    ASP   1           H1       ASP   1 -20.087  -9.066   8.977
    2   2H    ASP   1           H2       ASP   1 -20.687 -10.433   8.771
    3   3H    ASP   1           H3       ASP   1 -19.133 -10.425   9.322
    4    HA   ASP   1           HA       ASP   1 -18.404 -10.073   6.995
    5   1HB   ASP   1          2HB       ASP   1 -19.919 -11.423   5.643
    6   2HB   ASP   1          3HB       ASP   1 -19.627 -12.138   7.234
    7    H    LYS   2           H        LYS   2 -18.509  -7.994   5.667
    8    HA   LYS   2           HA       LYS   2 -21.104  -6.918   5.351
    9   1HB   LYS   2          2HB       LYS   2 -19.676  -6.007   7.766
   10   2HB   LYS   2          3HB       LYS   2 -19.984  -4.660   6.684
   11   1HG   LYS   2          2HG       LYS   2 -22.304  -6.550   7.114
   12   2HG   LYS   2          3HG       LYS   2 -21.824  -5.565   8.483
   13   1HD   LYS   2          2HD       LYS   2 -22.607  -3.684   7.489
   14   2HD   LYS   2          3HD       LYS   2 -22.042  -4.151   5.869
   15   1HE   LYS   2          2HE       LYS   2 -23.884  -5.509   5.421
   16   2HE   LYS   2          3HE       LYS   2 -24.339  -5.671   7.121
   17   1HZ   LYS   2          1HZ       LYS   2 -25.243  -3.587   7.146
   18   2HZ   LYS   2          2HZ       LYS   2 -24.355  -3.033   5.872
   19   3HZ   LYS   2          3HZ       LYS   2 -25.626  -4.051   5.611
   20    H    ASP   3           H        ASP   3 -20.966  -4.843   4.115
   21    HA   ASP   3           HA       ASP   3 -19.348  -5.134   1.913
   22   1HB   ASP   3          2HB       ASP   3 -19.906  -2.874   1.346
   23   2HB   ASP   3          3HB       ASP   3 -21.317  -3.585   2.141
   24    H    VAL   4           H        VAL   4 -17.317  -4.296   1.226
   25    HA   VAL   4           HA       VAL   4 -15.669  -3.132   3.383
   26    HB   VAL   4           HB       VAL   4 -14.616  -5.068   1.306
   27   1HG1  VAL   4          1HG       VAL   4 -13.422  -3.381   3.253
   28   2HG1  VAL   4          2HG       VAL   4 -13.414  -4.984   3.998
   29   3HG1  VAL   4          3HG       VAL   4 -12.650  -4.735   2.422
   30   1HG2  VAL   4          1HG       VAL   4 -14.681  -6.785   3.200
   31   2HG2  VAL   4          2HG       VAL   4 -15.921  -5.742   3.935
   32   3HG2  VAL   4          3HG       VAL   4 -16.188  -6.467   2.328
   33    H    LYS   5           H        LYS   5 -13.650  -3.380   0.988
   34    HA   LYS   5           HA       LYS   5 -14.677  -1.175  -0.674
   35   1HB   LYS   5          2HB       LYS   5 -12.559  -0.957   1.415
   36   2HB   LYS   5          3HB       LYS   5 -12.077  -0.337  -0.166
   37   1HG   LYS   5          2HG       LYS   5 -13.313   1.484   0.013
   38   2HG   LYS   5          3HG       LYS   5 -14.771   0.578   0.370
   39   1HD   LYS   5          2HD       LYS   5 -14.713   0.978   2.539
   40   2HD   LYS   5          3HD       LYS   5 -12.977   0.668   2.712
   41   1HE   LYS   5          2HE       LYS   5 -12.340   2.815   2.258
   42   2HE   LYS   5          3HE       LYS   5 -13.755   3.155   1.247
   43   1HZ   LYS   5          1HZ       LYS   5 -14.687   4.087   2.982
   44   2HZ   LYS   5          2HZ       LYS   5 -14.699   2.655   3.783
   45   3HZ   LYS   5          3HZ       LYS   5 -13.429   3.686   3.974
   46    H    TYR   6           H        TYR   6 -14.407  -1.868  -2.695
   47    HA   TYR   6           HA       TYR   6 -12.072  -3.588  -3.296
   48   1HB   TYR   6          2HB       TYR   6 -14.977  -3.677  -4.104
   49   2HB   TYR   6          3HB       TYR   6 -13.746  -4.354  -5.156
   50    HD1  TYR   6           HD1      TYR   6 -15.971  -5.146  -2.538
   51    HD2  TYR   6           HD2      TYR   6 -11.974  -5.952  -3.912
   52    HE1  TYR   6           HE1      TYR   6 -15.972  -7.289  -1.302
   53    HE2  TYR   6           HE2      TYR   6 -12.004  -8.119  -2.828
   54    HH   TYR   6           HH       TYR   6 -14.717  -9.143  -0.705
   55    H    TYR   7           H        TYR   7 -10.636  -2.026  -4.185
   56    HA   TYR   7           HA       TYR   7 -11.759  -0.230  -6.216
   57   1HB   TYR   7          2HB       TYR   7  -9.278  -0.367  -4.493
   58   2HB   TYR   7          3HB       TYR   7  -9.398   0.697  -5.834
   59    HD1  TYR   7           HD1      TYR   7  -9.729   0.641  -2.404
   60    HD2  TYR   7           HD2      TYR   7 -11.797   2.058  -5.905
   61    HE1  TYR   7           HE1      TYR   7 -10.933   2.354  -1.029
   62    HE2  TYR   7           HE2      TYR   7 -12.902   3.821  -4.551
   63    HH   TYR   7           HH       TYR   7 -13.015   3.728  -1.172
   64    H    THR   8           H        THR   8 -10.923  -0.200  -8.202
   65    HA   THR   8           HA       THR   8  -9.798  -2.738  -9.176
   66    HB   THR   8           HB       THR   8 -10.303  -1.826 -11.392
   67    HG1  THR   8          1HG       THR   8 -10.349   0.602  -9.960
   68   1HG2  THR   8          1HG       THR   8 -12.361  -1.427  -9.264
   69   2HG2  THR   8          2HG       THR   8 -12.666  -0.572 -10.742
   70   3HG2  THR   8          3HG       THR   8 -12.466  -2.344 -10.765
   71    H    LEU   9           H        LEU   9  -7.746  -2.928 -10.169
   72    HA   LEU   9           HA       LEU   9  -5.592  -1.651  -9.130
   73   1HB   LEU   9          2HB       LEU   9  -5.699  -2.605 -12.003
   74   2HB   LEU   9          3HB       LEU   9  -4.271  -2.357 -11.008
   75    HG   LEU   9           HG       LEU   9  -4.490  -4.616 -10.853
   76   1HD1  LEU   9          1HD       LEU   9  -4.460  -3.546  -8.571
   77   2HD1  LEU   9          2HD       LEU   9  -6.228  -3.756  -8.520
   78   3HD1  LEU   9          3HD       LEU   9  -5.170  -5.175  -8.663
   79   1HD2  LEU   9          1HD       LEU   9  -7.213  -4.153 -11.597
   80   2HD2  LEU   9          2HD       LEU   9  -6.320  -5.678 -11.541
   81   3HD2  LEU   9          3HD       LEU   9  -7.220  -5.142 -10.114
   82    H    GLU  10           H        GLU  10  -7.426  -0.608 -12.022
   83    HA   GLU  10           HA       GLU  10  -5.850   1.586 -12.757
   84   1HB   GLU  10          2HB       GLU  10  -8.794   0.932 -12.981
   85   2HB   GLU  10          3HB       GLU  10  -8.210   2.535 -13.438
   86   1HG   GLU  10          2HG       GLU  10  -8.172   1.171 -15.423
   87   2HG   GLU  10          3HG       GLU  10  -6.511   1.516 -14.929
   88    H    GLU  11           H        GLU  11  -8.654   1.561 -10.521
   89    HA   GLU  11           HA       GLU  11  -8.549   4.291  -9.805
   90   1HB   GLU  11          2HB       GLU  11 -10.422   2.802  -9.182
   91   2HB   GLU  11          3HB       GLU  11  -9.365   1.919  -8.076
   92   1HG   GLU  11          2HG       GLU  11 -10.755   3.616  -6.908
   93   2HG   GLU  11          3HG       GLU  11  -9.028   3.873  -6.701
   94    H    ILE  12           H        ILE  12  -6.810   1.469  -8.379
   95    HA   ILE  12           HA       ILE  12  -5.515   3.166  -6.439
   96    HB   ILE  12           HB       ILE  12  -4.735   0.420  -7.499
   97   1HG1  ILE  12          2HG       ILE  12  -5.949   0.375  -4.886
   98   2HG1  ILE  12          3HG       ILE  12  -6.949   1.371  -5.891
   99   1HG2  ILE  12          1HG       ILE  12  -3.870   0.497  -4.875
  100   2HG2  ILE  12          2HG       ILE  12  -2.910   0.723  -6.321
  101   3HG2  ILE  12          3HG       ILE  12  -3.534   2.144  -5.443
  102   1HD1  ILE  12          1HD       ILE  12  -7.833  -0.681  -6.441
  103   2HD1  ILE  12          2HD       ILE  12  -6.528  -0.655  -7.615
  104   3HD1  ILE  12          3HD       ILE  12  -6.321  -1.548  -6.137
  105    H    LYS  13           H        LYS  13  -4.941   2.454  -9.774
  106    HA   LYS  13           HA       LYS  13  -2.173   3.464  -9.793
  107   1HB   LYS  13          2HB       LYS  13  -3.985   2.100 -11.800
  108   2HB   LYS  13          3HB       LYS  13  -2.543   2.955 -12.344
  109   1HG   LYS  13          2HG       LYS  13  -1.073   1.571 -11.226
  110   2HG   LYS  13          3HG       LYS  13  -2.302   0.997 -10.067
  111   1HD   LYS  13          2HD       LYS  13  -3.241  -0.482 -11.533
  112   2HD   LYS  13          3HD       LYS  13  -2.675   0.359 -12.983
  113   1HE   LYS  13          2HE       LYS  13  -0.486  -0.473 -12.774
  114   2HE   LYS  13          3HE       LYS  13  -0.685  -0.877 -11.061
  115   1HZ   LYS  13          1HZ       LYS  13  -2.141  -2.649 -11.669
  116   2HZ   LYS  13          2HZ       LYS  13  -2.102  -2.243 -13.264
  117   3HZ   LYS  13          3HZ       LYS  13  -0.747  -2.825 -12.518
  118    H    LYS  14           H        LYS  14  -4.731   5.059  -9.118
  119    HA   LYS  14           HA       LYS  14  -4.271   7.220 -11.133
  120   1HB   LYS  14          2HB       LYS  14  -6.652   6.515  -9.391
  121   2HB   LYS  14          3HB       LYS  14  -6.475   8.103 -10.108
  122   1HG   LYS  14          2HG       LYS  14  -6.402   7.163 -12.364
  123   2HG   LYS  14          3HG       LYS  14  -6.369   5.542 -11.738
  124   1HD   LYS  14          2HD       LYS  14  -8.639   5.720 -12.225
  125   2HD   LYS  14          3HD       LYS  14  -8.634   6.229 -10.529
  126   1HE   LYS  14          2HE       LYS  14  -9.859   7.930 -11.494
  127   2HE   LYS  14          3HE       LYS  14  -8.226   8.617 -11.448
  128   1HZ   LYS  14          1HZ       LYS  14  -7.975   7.824 -13.761
  129   2HZ   LYS  14          2HZ       LYS  14  -9.557   7.372 -13.766
  130   3HZ   LYS  14          3HZ       LYS  14  -9.158   8.962 -13.602
  131    H    HIS  15           H        HIS  15  -4.138   6.322  -7.678
  132    HA   HIS  15           HA       HIS  15  -3.632   9.079  -6.877
  133   1HB   HIS  15          2HB       HIS  15  -3.385   6.450  -5.362
  134   2HB   HIS  15          3HB       HIS  15  -3.255   8.108  -4.713
  135    HD1  HIS  15           HD1      HIS  15  -5.553   9.609  -4.865
  136    HD2  HIS  15           HD2      HIS  15  -5.829   5.472  -5.594
  137    HE1  HIS  15           HE1      HIS  15  -8.011   8.976  -4.587
  138    H    ASN  16           H        ASN  16  -1.493   7.104  -5.207
  139    HA   ASN  16           HA       ASN  16   0.777   7.240  -5.129
  140   1HB   ASN  16          2HB       ASN  16   1.981   6.340  -7.081
  141   2HB   ASN  16          3HB       ASN  16   0.515   5.401  -6.761
  142   1HD2  ASN  16          1HD       ASN  16  -1.207   5.418  -8.211
  143   2HD2  ASN  16          2HD       ASN  16  -1.062   6.237  -9.771
  144    H    HIS  17           H        HIS  17  -0.361   9.751  -5.309
  145    HA   HIS  17           HA       HIS  17   1.660  11.201  -6.972
  146   1HB   HIS  17          2HB       HIS  17  -1.255  11.789  -6.438
  147   2HB   HIS  17          3HB       HIS  17  -0.113  13.063  -6.887
  148    HD1  HIS  17           HD1      HIS  17   1.248  12.579  -9.298
  149    HD2  HIS  17           HD2      HIS  17  -2.305  10.517  -8.473
  150    HE1  HIS  17           HE1      HIS  17   0.405  11.655 -11.536
  151    H    SER  18           H        SER  18  -0.565  12.462  -4.511
  152    HA   SER  18           HA       SER  18   1.278  12.457  -2.341
  153   1HB   SER  18          2HB       SER  18   1.943  14.842  -2.367
  154   2HB   SER  18          3HB       SER  18   2.630  13.980  -3.741
  155    HG   SER  18           HG       SER  18   0.192  15.395  -3.921
  156    H    LYS  19           H        LYS  19  -1.027  11.777  -1.907
  157    HA   LYS  19           HA       LYS  19  -2.353  13.632  -0.299
  158   1HB   LYS  19          2HB       LYS  19  -3.041  14.846  -2.376
  159   2HB   LYS  19          3HB       LYS  19  -3.711  13.357  -3.027
  160   1HG   LYS  19          2HG       LYS  19  -5.574  14.518  -2.200
  161   2HG   LYS  19          3HG       LYS  19  -5.241  13.412  -0.886
  162   1HD   LYS  19          2HD       LYS  19  -5.340  15.279   0.387
  163   2HD   LYS  19          3HD       LYS  19  -3.657  15.515  -0.107
  164   1HE   LYS  19          2HE       LYS  19  -4.203  17.129  -1.719
  165   2HE   LYS  19          3HE       LYS  19  -5.874  16.567  -1.876
  166   1HZ   LYS  19          1HZ       LYS  19  -5.453  18.695  -0.582
  167   2HZ   LYS  19          2HZ       LYS  19  -6.481  17.588   0.071
  168   3HZ   LYS  19          3HZ       LYS  19  -4.946  17.723   0.647
  169    H    SER  20           H        SER  20  -2.636  10.731  -2.376
  170    HA   SER  20           HA       SER  20  -3.866   9.273  -0.127
  171   1HB   SER  20          2HB       SER  20  -5.004   9.446  -2.919
  172   2HB   SER  20          3HB       SER  20  -5.557   8.317  -1.667
  173    HG   SER  20           HG       SER  20  -6.129  10.170  -0.428
  174    H    THR  21           H        THR  21  -1.204   9.061  -0.780
  175    HA   THR  21           HA       THR  21  -0.385   7.353  -2.733
  176    HB   THR  21           HB       THR  21   0.522   7.750   0.147
  177    HG1  THR  21          1HG       THR  21   1.384   8.760  -2.360
  178   1HG2  THR  21          1HG       THR  21   1.565   6.033  -2.060
  179   2HG2  THR  21          2HG       THR  21   2.759   7.107  -1.308
  180   3HG2  THR  21          3HG       THR  21   1.857   5.950  -0.313
  181    H    TRP  22           H        TRP  22  -1.380   5.566  -3.300
  182    HA   TRP  22           HA       TRP  22  -2.157   3.652  -1.172
  183   1HB   TRP  22          2HB       TRP  22  -3.210   4.177  -3.969
  184   2HB   TRP  22          3HB       TRP  22  -3.573   2.701  -3.077
  185    HD1  TRP  22           HD1      TRP  22  -3.526   5.340  -0.556
  186    HE1  TRP  22           HE1      TRP  22  -5.854   6.135   0.042
  187    HE3  TRP  22           HE3      TRP  22  -5.980   3.256  -4.450
  188    HZ2  TRP  22           HZ2      TRP  22  -8.521   5.975  -1.146
  189    HZ3  TRP  22           HZ3      TRP  22  -8.425   3.597  -4.734
  190    HH2  TRP  22           HH2      TRP  22  -9.681   4.945  -3.146
  191    H    LEU  23           H        LEU  23  -1.983   1.329  -2.058
  192    HA   LEU  23           HA       LEU  23  -0.071   0.744  -4.093
  193   1HB   LEU  23          2HB       LEU  23   1.708  -0.197  -2.550
  194   2HB   LEU  23          3HB       LEU  23   1.622   1.533  -2.687
  195    HG   LEU  23           HG       LEU  23   0.203   1.513  -0.512
  196   1HD1  LEU  23          1HD       LEU  23   0.561  -0.373   0.933
  197   2HD1  LEU  23          2HD       LEU  23  -0.058  -1.044  -0.593
  198   3HD1  LEU  23          3HD       LEU  23   1.647  -1.100  -0.271
  199   1HD2  LEU  23          1HD       LEU  23   2.899   1.901  -1.008
  200   2HD2  LEU  23          2HD       LEU  23   2.058   2.151   0.486
  201   3HD2  LEU  23          3HD       LEU  23   2.931   0.629   0.231
  202    H    ILE  24           H        ILE  24   0.341  -1.616  -4.089
  203    HA   ILE  24           HA       ILE  24  -2.023  -3.059  -3.028
  204    HB   ILE  24           HB       ILE  24  -0.292  -3.589  -5.537
  205   1HG1  ILE  24          2HG       ILE  24  -2.840  -3.220  -6.380
  206   2HG1  ILE  24          3HG       ILE  24  -2.852  -2.116  -4.993
  207   1HG2  ILE  24          1HG       ILE  24  -2.086  -5.266  -5.968
  208   2HG2  ILE  24          2HG       ILE  24  -0.985  -5.682  -4.675
  209   3HG2  ILE  24          3HG       ILE  24  -2.589  -5.037  -4.251
  210   1HD1  ILE  24          1HD       ILE  24  -2.172  -1.190  -7.327
  211   2HD1  ILE  24          2HD       ILE  24  -1.110  -0.802  -5.951
  212   3HD1  ILE  24          3HD       ILE  24  -0.680  -2.089  -7.117
  213    H    LEU  25           H        LEU  25  -1.122  -3.905  -1.155
  214    HA   LEU  25           HA       LEU  25   1.391  -5.441  -1.390
  215   1HB   LEU  25          2HB       LEU  25   0.227  -3.749   0.797
  216   2HB   LEU  25          3HB       LEU  25   1.210  -5.125   1.274
  217    HG   LEU  25           HG       LEU  25   2.156  -3.046  -0.693
  218   1HD1  LEU  25          1HD       LEU  25   3.261  -1.979   1.161
  219   2HD1  LEU  25          2HD       LEU  25   1.579  -2.201   1.677
  220   3HD1  LEU  25          3HD       LEU  25   2.830  -3.292   2.281
  221   1HD2  LEU  25          1HD       LEU  25   3.639  -5.087   1.000
  222   2HD2  LEU  25          2HD       LEU  25   3.249  -5.198  -0.716
  223   3HD2  LEU  25          3HD       LEU  25   4.361  -3.942  -0.146
  224    H    HIS  26           H        HIS  26   0.443  -7.253  -2.160
  225    HA   HIS  26           HA       HIS  26  -0.344  -9.404  -1.851
  226   1HB   HIS  26          2HB       HIS  26  -1.241  -8.710   0.986
  227   2HB   HIS  26          3HB       HIS  26  -0.933 -10.273   0.285
  228    HD1  HIS  26           HD1      HIS  26   1.568 -11.080   0.211
  229    HD2  HIS  26           HD2      HIS  26   0.992  -7.178   1.668
  230    HE1  HIS  26           HE1      HIS  26   3.805 -10.310   1.198
  231    H    HIS  27           H        HIS  27  -1.891  -8.620  -3.493
  232    HA   HIS  27           HA       HIS  27  -3.947  -7.922  -4.230
  233   1HB   HIS  27          2HB       HIS  27  -5.639  -9.738  -3.813
  234   2HB   HIS  27          3HB       HIS  27  -4.118 -10.213  -4.545
  235    HD1  HIS  27           HD1      HIS  27  -6.234 -10.811  -1.530
  236    HD2  HIS  27           HD2      HIS  27  -2.319 -11.574  -2.847
  237    HE1  HIS  27           HE1      HIS  27  -5.272 -12.659   0.005
  238    H    LYS  28           H        LYS  28  -3.569  -6.098  -2.416
  239    HA   LYS  28           HA       LYS  28  -6.133  -5.816  -1.134
  240   1HB   LYS  28          2HB       LYS  28  -3.624  -6.338   0.352
  241   2HB   LYS  28          3HB       LYS  28  -4.546  -4.980   0.961
  242   1HG   LYS  28          2HG       LYS  28  -6.201  -6.239   1.803
  243   2HG   LYS  28          3HG       LYS  28  -6.347  -7.228   0.382
  244   1HD   LYS  28          2HD       LYS  28  -5.301  -8.928   1.292
  245   2HD   LYS  28          3HD       LYS  28  -3.876  -7.969   1.708
  246   1HE   LYS  28          2HE       LYS  28  -4.601  -7.427   3.810
  247   2HE   LYS  28          3HE       LYS  28  -6.318  -7.620   3.413
  248   1HZ   LYS  28          1HZ       LYS  28  -4.860 -10.036   3.118
  249   2HZ   LYS  28          2HZ       LYS  28  -4.768  -9.456   4.657
  250   3HZ   LYS  28          3HZ       LYS  28  -6.241  -9.739   3.966
  251    H    VAL  29           H        VAL  29  -6.350  -3.428  -0.229
  252    HA   VAL  29           HA       VAL  29  -4.668  -1.650  -1.887
  253    HB   VAL  29           HB       VAL  29  -7.521  -1.907  -1.301
  254   1HG1  VAL  29          1HG       VAL  29  -7.361   0.669  -2.467
  255   2HG1  VAL  29          2HG       VAL  29  -7.800   0.186  -0.816
  256   3HG1  VAL  29          3HG       VAL  29  -6.125   0.647  -1.232
  257   1HG2  VAL  29          1HG       VAL  29  -7.697  -2.505  -3.353
  258   2HG2  VAL  29          2HG       VAL  29  -7.271  -0.884  -3.842
  259   3HG2  VAL  29          3HG       VAL  29  -5.974  -2.061  -3.611
  260    H    TYR  30           H        TYR  30  -3.249  -0.803  -0.531
  261    HA   TYR  30           HA       TYR  30  -4.093  -0.047   2.196
  262   1HB   TYR  30          2HB       TYR  30  -1.577  -0.799   0.765
  263   2HB   TYR  30          3HB       TYR  30  -1.521   0.071   2.279
  264    HD1  TYR  30           HD1      TYR  30  -1.954  -3.162   0.687
  265    HD2  TYR  30           HD2      TYR  30  -2.470  -0.987   4.342
  266    HE1  TYR  30           HE1      TYR  30  -2.096  -5.312   1.987
  267    HE2  TYR  30           HE2      TYR  30  -2.611  -3.209   5.568
  268    HH   TYR  30           HH       TYR  30  -1.528  -5.706   5.044
  269    H    ASP  31           H        ASP  31  -3.217   1.991   2.949
  270    HA   ASP  31           HA       ASP  31  -2.515   4.023   0.971
  271   1HB   ASP  31          2HB       ASP  31  -4.939   4.101   1.160
  272   2HB   ASP  31          3HB       ASP  31  -4.829   4.196   2.926
  273    H    LEU  32           H        LEU  32  -0.629   4.539   1.806
  274    HA   LEU  32           HA       LEU  32  -0.463   5.008   4.759
  275   1HB   LEU  32          2HB       LEU  32   2.161   4.722   3.721
  276   2HB   LEU  32          3HB       LEU  32   1.264   3.692   4.860
  277    HG   LEU  32           HG       LEU  32   1.077   3.383   1.879
  278   1HD1  LEU  32          1HD       LEU  32   3.100   2.374   3.858
  279   2HD1  LEU  32          2HD       LEU  32   2.637   1.324   2.520
  280   3HD1  LEU  32          3HD       LEU  32   3.288   2.921   2.157
  281   1HD2  LEU  32          1HD       LEU  32   0.711   1.244   4.000
  282   2HD2  LEU  32          2HD       LEU  32  -0.599   2.335   3.584
  283   3HD2  LEU  32          3HD       LEU  32   0.110   1.339   2.318
  284    H    THR  33           H        THR  33  -1.601   6.823   2.936
  285    HA   THR  33           HA       THR  33   0.212   8.826   2.031
  286    HB   THR  33           HB       THR  33  -2.666   8.549   2.377
  287    HG1  THR  33          1HG       THR  33  -2.339  10.258   0.762
  288   1HG2  THR  33          1HG       THR  33  -1.539  11.319   2.763
  289   2HG2  THR  33          2HG       THR  33  -3.249  10.881   2.469
  290   3HG2  THR  33          3HG       THR  33  -2.529  10.458   3.988
  291    H    LYS  34           H        LYS  34  -1.596   8.647   5.132
  292    HA   LYS  34           HA       LYS  34  -0.068  10.938   6.107
  293   1HB   LYS  34          2HB       LYS  34  -2.572   9.982   6.662
  294   2HB   LYS  34          3HB       LYS  34  -1.693   9.255   7.992
  295   1HG   LYS  34          2HG       LYS  34  -1.086  12.168   7.462
  296   2HG   LYS  34          3HG       LYS  34  -2.744  11.809   7.912
  297   1HD   LYS  34          2HD       LYS  34  -1.536  10.351   9.820
  298   2HD   LYS  34          3HD       LYS  34  -0.221  11.495   9.529
  299   1HE   LYS  34          2HE       LYS  34  -1.420  13.268  10.406
  300   2HE   LYS  34          3HE       LYS  34  -2.956  12.685   9.746
  301   1HZ   LYS  34          1HZ       LYS  34  -2.971  10.982  11.456
  302   2HZ   LYS  34          2HZ       LYS  34  -1.594  11.586  12.113
  303   3HZ   LYS  34          3HZ       LYS  34  -2.979  12.489  12.113
  304    H    PHE  35           H        PHE  35   0.757   7.802   5.593
  305    HA   PHE  35           HA       PHE  35   2.377   7.488   8.025
  306   1HB   PHE  35          2HB       PHE  35   0.843   5.662   7.215
  307   2HB   PHE  35          3HB       PHE  35   1.755   5.655   5.729
  308    HD1  PHE  35          1HD       PHE  35   3.298   3.894   5.486
  309    HD2  PHE  35          2HD       PHE  35   2.625   5.601   9.373
  310    HE1  PHE  35          1HE       PHE  35   4.777   2.240   6.434
  311    HE2  PHE  35          2HE       PHE  35   4.260   4.022  10.345
  312    HZ   PHE  35           HZ       PHE  35   5.359   2.328   8.902
  313    H    LEU  36           H        LEU  36   2.465   8.423   4.662
  314    HA   LEU  36           HA       LEU  36   5.028   7.602   3.913
  315   1HB   LEU  36          2HB       LEU  36   3.348  10.123   3.371
  316   2HB   LEU  36          3HB       LEU  36   4.965   9.992   2.715
  317    HG   LEU  36           HG       LEU  36   2.547   8.306   2.022
  318   1HD1  LEU  36          1HD       LEU  36   4.353  10.167   0.455
  319   2HD1  LEU  36          2HD       LEU  36   3.109   9.134  -0.249
  320   3HD1  LEU  36          3HD       LEU  36   2.634  10.398   0.891
  321   1HD2  LEU  36          1HD       LEU  36   3.990   6.603   1.850
  322   2HD2  LEU  36          2HD       LEU  36   4.437   7.401   0.324
  323   3HD2  LEU  36          3HD       LEU  36   5.431   7.655   1.756
  324    H    GLU  37           H        GLU  37   4.342  10.603   5.627
  325    HA   GLU  37           HA       GLU  37   7.230  10.732   6.252
  326   1HB   GLU  37          2HB       GLU  37   4.881  12.594   6.768
  327   2HB   GLU  37          3HB       GLU  37   6.499  12.847   7.439
  328   1HG   GLU  37          2HG       GLU  37   7.206  12.426   4.854
  329   2HG   GLU  37          3HG       GLU  37   5.568  13.029   4.588
  330    H    GLU  38           H        GLU  38   5.333   8.642   7.346
  331    HA   GLU  38           HA       GLU  38   6.120   8.940  10.163
  332   1HB   GLU  38          2HB       GLU  38   3.446   8.978   9.177
  333   2HB   GLU  38          3HB       GLU  38   3.691   7.368   9.852
  334   1HG   GLU  38          2HG       GLU  38   4.837   8.838  11.810
  335   2HG   GLU  38          3HG       GLU  38   3.703  10.034  11.172
  336    H    HIS  39           HN       HIS  39   6.794   7.295   7.392
  337    HA   HIS  39           HA       HIS  39   6.619   4.660   8.517
  338   1HB   HIS  39          2HB       HIS  39   6.082   4.887   6.223
  339   2HB   HIS  39          3HB       HIS  39   7.609   5.662   5.865
  340    HD1  HIS  39           HND      HIS  39   9.237   4.107   4.777
  341    HD2  HIS  39           HD       HIS  39   6.713   2.001   7.288
  342    HE1  HIS  39           HE       HIS  39   9.905   1.778   4.529
  343    HA   PRO  40           HA       PRO  40  10.743   5.181  10.154
  344   1HB   PRO  40          2HB       PRO  40  11.092   2.565  11.085
  345   2HB   PRO  40          3HB       PRO  40  10.219   3.870  11.940
  346   1HG   PRO  40          2HG       PRO  40   9.152   1.557  10.474
  347   2HG   PRO  40          3HG       PRO  40   8.372   2.504  11.773
  348   1HD   PRO  40          2HD       PRO  40   7.911   2.618   8.988
  349   2HD   PRO  40          3HD       PRO  40   7.268   3.730  10.229
  350    H    GLY  41           H        GLY  41  11.677   5.576   8.103
  351   1HA   GLY  41          2HA       GLY  41  13.869   4.209   7.368
  352   2HA   GLY  41          3HA       GLY  41  12.615   3.285   6.511
  353    H    GLY  42           H        GLY  42  11.073   4.609   5.175
  354   1HA   GLY  42          2HA       GLY  42  12.124   7.159   4.176
  355   2HA   GLY  42          3HA       GLY  42  12.203   5.806   3.028
  356    H    GLU  43           H        GLU  43  10.693   8.142   2.715
  357    HA   GLU  43           HA       GLU  43   7.873   7.057   2.779
  358   1HB   GLU  43          2HB       GLU  43   7.135   9.266   2.653
  359   2HB   GLU  43          3HB       GLU  43   8.484   9.264   3.801
  360   1HG   GLU  43          2HG       GLU  43   9.254  11.017   2.673
  361   2HG   GLU  43          3HG       GLU  43   9.819   9.868   1.490
  362    H    GLU  44           H        GLU  44  10.448   8.086   0.655
  363    HA   GLU  44           HA       GLU  44   8.798   8.311  -1.699
  364   1HB   GLU  44          2HB       GLU  44  11.030   9.324  -1.620
  365   2HB   GLU  44          3HB       GLU  44  11.761   7.730  -1.392
  366   1HG   GLU  44          2HG       GLU  44  10.249   7.458  -3.809
  367   2HG   GLU  44          3HG       GLU  44  10.849   9.075  -3.879
  368    H    VAL  45           H        VAL  45  10.762   5.620  -0.262
  369    HA   VAL  45           HA       VAL  45  10.384   3.745  -2.336
  370    HB   VAL  45           HB       VAL  45  10.379   2.092  -0.383
  371   1HG1  VAL  45          1HG       VAL  45  12.777   2.769   0.226
  372   2HG1  VAL  45          2HG       VAL  45  12.402   2.477  -1.479
  373   3HG1  VAL  45          3HG       VAL  45  12.531   4.143  -0.886
  374   1HG2  VAL  45          1HG       VAL  45  10.121   2.746   1.728
  375   2HG2  VAL  45          2HG       VAL  45  11.383   3.969   1.576
  376   3HG2  VAL  45          3HG       VAL  45   9.709   4.375   1.187
  377    H    LEU  46           H        LEU  46   8.126   5.067  -0.067
  378    HA   LEU  46           HA       LEU  46   6.133   2.845  -0.539
  379   1HB   LEU  46          2HB       LEU  46   5.657   5.547   0.694
  380   2HB   LEU  46          3HB       LEU  46   4.585   4.160   0.777
  381    HG   LEU  46           HG       LEU  46   7.058   4.839   2.321
  382   1HD1  LEU  46          1HD       LEU  46   5.137   2.884   3.399
  383   2HD1  LEU  46          2HD       LEU  46   5.782   4.341   4.115
  384   3HD1  LEU  46          3HD       LEU  46   4.437   4.503   3.009
  385   1HD2  LEU  46          1HD       LEU  46   7.342   2.341   2.922
  386   2HD2  LEU  46          2HD       LEU  46   6.454   2.001   1.420
  387   3HD2  LEU  46          3HD       LEU  46   7.987   2.864   1.386
  388    H    ARG  47           H        ARG  47   6.972   5.894  -1.925
  389    HA   ARG  47           HA       ARG  47   4.612   6.054  -3.621
  390   1HB   ARG  47          2HB       ARG  47   5.877   8.059  -2.714
  391   2HB   ARG  47          3HB       ARG  47   7.184   7.620  -3.830
  392   1HG   ARG  47          2HG       ARG  47   5.369   7.676  -5.700
  393   2HG   ARG  47          3HG       ARG  47   4.323   8.426  -4.501
  394   1HD   ARG  47          2HD       ARG  47   5.240  10.403  -5.071
  395   2HD   ARG  47          3HD       ARG  47   6.759   9.871  -4.360
  396    HE   ARG  47           HE       ARG  47   5.965   9.855  -7.204
  397   1HH1  ARG  47          2HH       ARG  47   8.414   8.910  -4.826
  398   2HH1  ARG  47          1HH       ARG  47   9.680   8.668  -5.960
  399   1HH2  ARG  47          2HH       ARG  47   7.665   9.537  -8.774
  400   2HH2  ARG  47          1HH       ARG  47   9.236   9.035  -8.254
  401    H    GLU  48           H        GLU  48   7.933   4.799  -3.821
  402    HA   GLU  48           HA       GLU  48   8.049   4.708  -6.688
  403   1HB   GLU  48          2HB       GLU  48   9.721   3.952  -4.379
  404   2HB   GLU  48          3HB       GLU  48   9.722   2.680  -5.577
  405   1HG   GLU  48          2HG       GLU  48  10.021   5.184  -6.992
  406   2HG   GLU  48          3HG       GLU  48  11.105   5.222  -5.613
  407    H    GLN  49           H        GLN  49   6.442   2.849  -4.276
  408    HA   GLN  49           HA       GLN  49   5.757   0.825  -6.362
  409   1HB   GLN  49          2HB       GLN  49   5.770   0.569  -3.329
  410   2HB   GLN  49          3HB       GLN  49   5.373  -0.697  -4.527
  411   1HG   GLN  49          2HG       GLN  49   8.088   0.669  -4.323
  412   2HG   GLN  49          3HG       GLN  49   7.673  -0.864  -3.569
  413   1HE2  GLN  49          1HE       GLN  49   9.762  -0.829  -5.344
  414   2HE2  GLN  49          2HE       GLN  49   9.260  -1.678  -6.803
  415    H    ALA  50           H        ALA  50   4.629   3.559  -4.919
  416    HA   ALA  50           HA       ALA  50   2.111   2.972  -3.997
  417   1HB   ALA  50          1HB       ALA  50   2.835   5.174  -3.743
  418   2HB   ALA  50          2HB       ALA  50   3.195   5.351  -5.493
  419   3HB   ALA  50          3HB       ALA  50   1.525   5.267  -4.876
  420    H    GLY  51           H        GLY  51   0.008   3.112  -5.077
  421   1HA   GLY  51          2HA       GLY  51  -1.433   2.091  -6.489
  422   2HA   GLY  51          3HA       GLY  51  -0.713   3.185  -7.673
  423    H    GLY  52           H        GLY  52   1.132   0.501  -6.094
  424   1HA   GLY  52          2HA       GLY  52   1.022  -1.132  -8.513
  425   2HA   GLY  52          3HA       GLY  52   2.556  -0.310  -8.092
  426    H    ASP  53           H        ASP  53   3.075  -2.876  -7.979
  427    HA   ASP  53           HA       ASP  53   2.121  -4.078  -5.526
  428   1HB   ASP  53          2HB       ASP  53   3.963  -5.781  -6.549
  429   2HB   ASP  53          3HB       ASP  53   2.260  -5.749  -7.024
  430    H    ALA  54           H        ALA  54   3.063  -3.440  -3.703
  431    HA   ALA  54           HA       ALA  54   5.988  -2.839  -3.812
  432   1HB   ALA  54          1HB       ALA  54   5.711  -1.589  -1.851
  433   2HB   ALA  54          2HB       ALA  54   4.271  -1.176  -2.802
  434   3HB   ALA  54          3HB       ALA  54   4.121  -2.305  -1.487
  435    H    THR  55           H        THR  55   3.871  -5.463  -3.122
  436    HA   THR  55           HA       THR  55   4.782  -6.546  -0.801
  437    HB   THR  55           HB       THR  55   4.045  -7.844  -3.470
  438    HG1  THR  55          1HG       THR  55   2.543  -7.257  -1.161
  439   1HG2  THR  55          1HG       THR  55   4.598  -9.740  -2.318
  440   2HG2  THR  55          2HG       THR  55   4.535  -8.913  -0.742
  441   3HG2  THR  55          3HG       THR  55   3.030  -9.448  -1.546
  442    H    GLU  56           H        GLU  56   6.275  -6.972  -4.040
  443    HA   GLU  56           HA       GLU  56   8.348  -8.687  -3.368
  444   1HB   GLU  56          2HB       GLU  56   8.054  -6.358  -5.270
  445   2HB   GLU  56          3HB       GLU  56   9.655  -7.065  -5.064
  446   1HG   GLU  56          2HG       GLU  56   7.313  -8.916  -5.529
  447   2HG   GLU  56          3HG       GLU  56   7.957  -8.004  -6.897
  448    H    ASN  57           H        ASN  57   8.126  -5.194  -2.779
  449    HA   ASN  57           HA       ASN  57  10.792  -4.944  -1.645
  450   1HB   ASN  57          2HB       ASN  57   8.475  -3.164  -2.094
  451   2HB   ASN  57          3HB       ASN  57   9.167  -2.950  -0.490
  452   1HD2  ASN  57          1HD       ASN  57   9.466  -2.221  -3.762
  453   2HD2  ASN  57          2HD       ASN  57  11.090  -1.502  -3.662
  454    H    PHE  58           H        PHE  58   7.522  -4.829  -0.287
  455    HA   PHE  58           HA       PHE  58   8.037  -4.853   2.439
  456   1HB   PHE  58          2HB       PHE  58   5.851  -5.306   1.046
  457   2HB   PHE  58          3HB       PHE  58   6.170  -6.989   1.420
  458    HD1  PHE  58          1HD       PHE  58   5.622  -7.894   3.562
  459    HD2  PHE  58          2HD       PHE  58   5.542  -3.634   2.925
  460    HE1  PHE  58          1HE       PHE  58   4.468  -7.588   5.720
  461    HE2  PHE  58          2HE       PHE  58   4.390  -3.329   5.108
  462    HZ   PHE  58           HZ       PHE  58   3.848  -5.293   6.510
  463    H    GLU  59           H        GLU  59   8.286  -7.776   0.414
  464    HA   GLU  59           HA       GLU  59   9.102  -9.505   2.584
  465   1HB   GLU  59          2HB       GLU  59   8.727  -9.660  -0.391
  466   2HB   GLU  59          3HB       GLU  59   9.921 -10.770   0.280
  467   1HG   GLU  59          2HG       GLU  59   7.165 -10.496   1.526
  468   2HG   GLU  59          3HG       GLU  59   7.461 -11.567   0.151
  469    H    ASP  60           H        ASP  60  10.822  -7.902  -0.153
  470    HA   ASP  60           HA       ASP  60  13.411  -8.824   0.290
  471   1HB   ASP  60          2HB       ASP  60  12.172  -6.436  -0.952
  472   2HB   ASP  60          3HB       ASP  60  13.729  -6.072  -0.248
  473    H    VAL  61           H        VAL  61  11.844  -5.981   1.694
  474    HA   VAL  61           HA       VAL  61  13.676  -4.996   3.080
  475    HB   VAL  61           HB       VAL  61  10.836  -5.113   3.867
  476   1HG1  VAL  61          1HG       VAL  61  12.514  -2.946   5.034
  477   2HG1  VAL  61          2HG       VAL  61  11.101  -3.756   5.713
  478   3HG1  VAL  61          3HG       VAL  61  12.702  -4.478   5.815
  479   1HG2  VAL  61          1HG       VAL  61  10.647  -3.132   2.656
  480   2HG2  VAL  61          2HG       VAL  61  12.334  -2.660   2.918
  481   3HG2  VAL  61          3HG       VAL  61  11.953  -3.886   1.740
  482    H    GLY  62           H        GLY  62  11.434  -7.531   4.070
  483   1HA   GLY  62          2HA       GLY  62  11.906  -9.470   5.308
  484   2HA   GLY  62          3HA       GLY  62  13.268  -8.658   6.097
  485    H    HIS  63           HN       HIS  63  10.042  -7.211   5.681
  486    HA   HIS  63           HA       HIS  63  10.114  -5.898   8.003
  487   1HB   HIS  63          2HB       HIS  63   7.771  -6.835   6.332
  488   2HB   HIS  63          3HB       HIS  63   7.414  -6.001   7.823
  489    HD1  HIS  63           HND      HIS  63   8.574  -5.416   4.373
  490    HD2  HIS  63           HD       HIS  63   8.011  -3.259   7.900
  491    HE1  HIS  63           HE       HIS  63   8.562  -3.005   3.700
  492    H    SER  64           H        SER  64   9.319  -5.961  10.056
  493    HA   SER  64           HA       SER  64   8.918  -8.549  11.278
  494   1HB   SER  64          2HB       SER  64   8.740  -5.682  12.311
  495   2HB   SER  64          3HB       SER  64   8.599  -7.120  13.341
  496    HG   SER  64           HG       SER  64  10.700  -7.662  12.842
  497    H    THR  65           H        THR  65   7.002  -8.717  12.956
  498    HA   THR  65           HA       THR  65   4.580  -8.673  11.454
  499    HB   THR  65           HB       THR  65   5.387  -9.341  14.293
  500    HG1  THR  65          1HG       THR  65   4.901 -11.438  13.368
  501   1HG2  THR  65          1HG       THR  65   3.268  -9.998  14.869
  502   2HG2  THR  65          2HG       THR  65   2.819  -8.627  13.878
  503   3HG2  THR  65          3HG       THR  65   2.750 -10.245  13.175
  504    H    ASP  66           H        ASP  66   5.925  -6.664  14.149
  505    HA   ASP  66           HA       ASP  66   3.652  -5.152  14.720
  506   1HB   ASP  66          2HB       ASP  66   6.624  -4.684  14.748
  507   2HB   ASP  66          3HB       ASP  66   5.616  -3.245  14.819
  508    H    ALA  67           H        ALA  67   5.705  -5.097  11.903
  509    HA   ALA  67           HA       ALA  67   4.807  -2.496  10.919
  510   1HB   ALA  67          1HB       ALA  67   7.194  -4.220  10.818
  511   2HB   ALA  67          2HB       ALA  67   6.705  -4.322   9.349
  512   3HB   ALA  67          3HB       ALA  67   7.483  -2.822   9.927
  513    H    ARG  68           H        ARG  68   4.070  -6.071  10.402
  514    HA   ARG  68           HA       ARG  68   2.226  -5.664   8.326
  515   1HB   ARG  68          2HB       ARG  68   2.654  -7.873  10.361
  516   2HB   ARG  68          3HB       ARG  68   1.129  -7.863   9.523
  517   1HG   ARG  68          2HG       ARG  68   2.145  -8.921   7.880
  518   2HG   ARG  68          3HG       ARG  68   2.813  -7.373   7.413
  519   1HD   ARG  68          2HD       ARG  68   4.867  -8.347   7.667
  520   2HD   ARG  68          3HD       ARG  68   4.591  -8.096   9.373
  521    HE   ARG  68           HE       ARG  68   4.543 -10.354   9.625
  522   1HH1  ARG  68          2HH       ARG  68   3.501  -9.583   6.340
  523   2HH1  ARG  68          1HH       ARG  68   3.271 -11.214   5.831
  524   1HH2  ARG  68          2HH       ARG  68   4.243 -12.578   8.974
  525   2HH2  ARG  68          1HH       ARG  68   3.708 -12.955   7.374
  526    H    GLU  69           H        GLU  69   1.979  -4.940  11.781
  527    HA   GLU  69           HA       GLU  69  -0.936  -5.116  12.018
  528   1HB   GLU  69          2HB       GLU  69   1.354  -4.190  13.759
  529   2HB   GLU  69          3HB       GLU  69  -0.259  -3.612  14.116
  530   1HG   GLU  69          2HG       GLU  69  -0.476  -6.439  13.634
  531   2HG   GLU  69          3HG       GLU  69   0.928  -6.196  14.672
  532    H    LEU  70           H        LEU  70   1.469  -2.300  11.861
  533    HA   LEU  70           HA       LEU  70  -0.448  -0.300  11.877
  534   1HB   LEU  70          2HB       LEU  70   2.195  -0.717  10.511
  535   2HB   LEU  70          3HB       LEU  70   1.346   0.767  10.304
  536    HG   LEU  70           HG       LEU  70   1.729  -0.184  13.070
  537   1HD1  LEU  70          1HD       LEU  70   3.961  -0.360  13.086
  538   2HD1  LEU  70          2HD       LEU  70   4.011  -0.133  11.338
  539   3HD1  LEU  70          3HD       LEU  70   4.166   1.258  12.395
  540   1HD2  LEU  70          1HD       LEU  70   1.112   1.896  13.499
  541   2HD2  LEU  70          2HD       LEU  70   2.536   2.553  12.676
  542   3HD2  LEU  70          3HD       LEU  70   1.058   2.245  11.765
  543    H    SER  71           H        SER  71   0.721  -2.411   9.180
  544    HA   SER  71           HA       SER  71  -0.697  -1.117   7.185
  545   1HB   SER  71          2HB       SER  71  -0.990  -4.031   6.970
  546   2HB   SER  71          3HB       SER  71  -0.232  -2.891   5.857
  547    HG   SER  71           HG       SER  71   0.833  -4.076   8.197
  548    H    LYS  72           H        LYS  72  -2.012  -3.238   9.590
  549    HA   LYS  72           HA       LYS  72  -4.582  -3.655   8.467
  550   1HB   LYS  72          2HB       LYS  72  -3.388  -4.694  10.564
  551   2HB   LYS  72          3HB       LYS  72  -4.087  -3.319  11.441
  552   1HG   LYS  72          2HG       LYS  72  -6.349  -4.000  10.524
  553   2HG   LYS  72          3HG       LYS  72  -5.568  -5.431   9.818
  554   1HD   LYS  72          2HD       LYS  72  -4.822  -6.105  12.118
  555   2HD   LYS  72          3HD       LYS  72  -5.642  -4.674  12.771
  556   1HE   LYS  72          2HE       LYS  72  -7.549  -5.965  11.105
  557   2HE   LYS  72          3HE       LYS  72  -6.754  -7.276  11.988
  558   1HZ   LYS  72          1HZ       LYS  72  -8.724  -6.217  13.091
  559   2HZ   LYS  72          2HZ       LYS  72  -7.363  -6.298  14.021
  560   3HZ   LYS  72          3HZ       LYS  72  -7.804  -4.873  13.327
  561    H    THR  73           H        THR  73  -3.173  -0.794   9.792
  562    HA   THR  73           HA       THR  73  -5.776   0.591   9.949
  563    HB   THR  73           HB       THR  73  -3.824   0.561  11.755
  564    HG1  THR  73          1HG       THR  73  -4.857   2.391  12.497
  565   1HG2  THR  73          1HG       THR  73  -3.200   3.266  10.648
  566   2HG2  THR  73          2HG       THR  73  -2.175   2.156  11.606
  567   3HG2  THR  73          3HG       THR  73  -2.392   1.911   9.891
  568    H    PHE  74           H        PHE  74  -3.618  -0.052   7.672
  569    HA   PHE  74           HA       PHE  74  -3.821   2.531   6.212
  570   1HB   PHE  74          2HB       PHE  74  -1.884   0.186   5.980
  571   2HB   PHE  74          3HB       PHE  74  -1.896   1.608   4.958
  572    HD1  PHE  74          1HD       PHE  74   0.558   0.693   6.329
  573    HD2  PHE  74          2HD       PHE  74  -2.606   3.287   7.728
  574    HE1  PHE  74          1HE       PHE  74   2.097   1.843   7.876
  575    HE2  PHE  74          2HE       PHE  74  -1.092   4.257   9.366
  576    HZ   PHE  74           HZ       PHE  74   1.237   3.463   9.481
  577    H    ILE  75           H        ILE  75  -4.852  -0.851   6.261
  578    HA   ILE  75           HA       ILE  75  -5.320  -1.000   3.459
  579    HB   ILE  75           HB       ILE  75  -5.373  -2.713   5.669
  580   1HG1  ILE  75          2HG       ILE  75  -6.238  -3.376   2.851
  581   2HG1  ILE  75          3HG       ILE  75  -4.595  -3.020   3.256
  582   1HG2  ILE  75          1HG       ILE  75  -7.715  -2.373   6.101
  583   2HG2  ILE  75          2HG       ILE  75  -8.126  -2.601   4.374
  584   3HG2  ILE  75          3HG       ILE  75  -7.536  -3.954   5.344
  585   1HD1  ILE  75          1HD       ILE  75  -6.262  -5.355   4.222
  586   2HD1  ILE  75          2HD       ILE  75  -4.684  -5.367   3.432
  587   3HD1  ILE  75          3HD       ILE  75  -4.820  -4.835   5.120
  588    H    ILE  76           H        ILE  76  -6.567   0.382   2.442
  589    HA   ILE  76           HA       ILE  76  -9.051   1.350   3.784
  590    HB   ILE  76           HB       ILE  76  -9.129   3.046   2.057
  591   1HG1  ILE  76          2HG       ILE  76  -6.580   2.996   0.856
  592   2HG1  ILE  76          3HG       ILE  76  -7.074   1.349   0.784
  593   1HG2  ILE  76          1HG       ILE  76  -6.967   4.226   2.700
  594   2HG2  ILE  76          2HG       ILE  76  -8.049   3.745   4.004
  595   3HG2  ILE  76          3HG       ILE  76  -6.595   2.793   3.684
  596   1HD1  ILE  76          1HD       ILE  76  -8.908   3.634  -0.042
  597   2HD1  ILE  76          2HD       ILE  76  -7.734   2.874  -1.149
  598   3HD1  ILE  76          3HD       ILE  76  -9.020   1.905  -0.440
  599    H    GLY  77           H        GLY  77  -8.210  -1.328   2.126
  600   1HA   GLY  77          2HA       GLY  77 -10.691  -2.266   1.550
  601   2HA   GLY  77          3HA       GLY  77 -10.216  -1.376   0.076
  602    H    GLU  78           H        GLU  78 -10.333  -3.649  -0.871
  603    HA   GLU  78           HA       GLU  78  -7.727  -4.785  -0.814
  604   1HB   GLU  78          2HB       GLU  78  -8.639  -7.071  -0.659
  605   2HB   GLU  78          3HB       GLU  78  -9.011  -6.118   0.787
  606   1HG   GLU  78          2HG       GLU  78 -11.272  -5.609  -0.664
  607   2HG   GLU  78          3HG       GLU  78 -10.779  -7.156  -1.361
  608    H    LEU  79           H        LEU  79  -7.131  -5.552  -2.871
  609    HA   LEU  79           HA       LEU  79  -8.161  -4.440  -5.155
  610   1HB   LEU  79          2HB       LEU  79  -6.488  -6.833  -4.457
  611   2HB   LEU  79          3HB       LEU  79  -7.258  -6.907  -6.041
  612    HG   LEU  79           HG       LEU  79  -6.285  -4.933  -6.770
  613   1HD1  LEU  79          1HD       LEU  79  -4.586  -3.712  -5.201
  614   2HD1  LEU  79          2HD       LEU  79  -6.316  -3.407  -5.131
  615   3HD1  LEU  79          3HD       LEU  79  -5.547  -4.457  -3.920
  616   1HD2  LEU  79          1HD       LEU  79  -4.018  -6.199  -5.247
  617   2HD2  LEU  79          2HD       LEU  79  -4.839  -7.109  -6.508
  618   3HD2  LEU  79          3HD       LEU  79  -4.007  -5.604  -6.912
  619    H    HIS  80           H        HIS  80  -9.657  -4.894  -6.654
  620    HA   HIS  80           HA       HIS  80 -12.092  -5.793  -5.975
  621   1HB   HIS  80          2HB       HIS  80 -10.722  -5.384  -8.516
  622   2HB   HIS  80          3HB       HIS  80 -11.950  -6.641  -8.632
  623    HD1  HIS  80           HD1      HIS  80 -11.821  -3.085  -7.115
  624    HD2  HIS  80           HD2      HIS  80 -14.359  -5.736  -9.146
  625    HE1  HIS  80           HE1      HIS  80 -13.992  -1.798  -7.619
  626    HA   PRO  81           HA       PRO  81 -12.023 -10.077  -5.465
  627   1HB   PRO  81          2HB       PRO  81 -14.606 -10.823  -6.240
  628   2HB   PRO  81          3HB       PRO  81 -14.167 -10.095  -4.667
  629   1HG   PRO  81          2HG       PRO  81 -15.541  -8.835  -6.985
  630   2HG   PRO  81          3HG       PRO  81 -15.530  -8.345  -5.263
  631   1HD   PRO  81          2HD       PRO  81 -14.016  -7.233  -7.422
  632   2HD   PRO  81          3HD       PRO  81 -13.911  -6.810  -5.695
  633    H    ASP  82           H        ASP  82 -13.015  -8.816  -8.598
  634    HA   ASP  82           HA       ASP  82 -12.866 -11.290 -10.046
  635   1HB   ASP  82          2HB       ASP  82 -13.664  -8.690 -10.606
  636   2HB   ASP  82          3HB       ASP  82 -12.124  -8.761 -11.455
  637    H    ASP  83           H        ASP  83 -10.574  -8.712  -9.171
  638    HA   ASP  83           HA       ASP  83  -8.380  -9.682 -10.759
  639   1HB   ASP  83          2HB       ASP  83  -8.565  -7.346 -10.055
  640   2HB   ASP  83          3HB       ASP  83  -8.441  -7.839  -8.355
  641    H    ARG  84           H        ARG  84  -9.852 -10.567  -7.741
  642    HA   ARG  84           HA       ARG  84  -7.579 -11.591  -6.386
  643   1HB   ARG  84          2HB       ARG  84 -10.088 -11.234  -5.614
  644   2HB   ARG  84          3HB       ARG  84 -10.306 -12.895  -6.207
  645   1HG   ARG  84          2HG       ARG  84  -8.159 -13.391  -4.737
  646   2HG   ARG  84          3HG       ARG  84  -8.573 -11.865  -3.954
  647   1HD   ARG  84          2HD       ARG  84 -11.001 -13.430  -4.188
  648   2HD   ARG  84          3HD       ARG  84  -9.732 -14.502  -3.611
  649    HE   ARG  84           HE       ARG  84  -9.740 -13.429  -1.598
  650   1HH1  ARG  84          2HH       ARG  84 -11.278 -11.346  -3.980
  651   2HH1  ARG  84          1HH       ARG  84 -11.800 -10.144  -2.842
  652   1HH2  ARG  84          2HH       ARG  84 -10.396 -11.784  -0.040
  653   2HH2  ARG  84          1HH       ARG  84 -11.223 -10.369  -0.551
  654    H    SER  85           H        SER  85  -9.690 -12.954  -8.892
  655    HA   SER  85           HA       SER  85  -8.007 -15.423  -8.890
  656   1HB   SER  85          2HB       SER  85 -10.623 -15.463  -8.416
  657   2HB   SER  85          3HB       SER  85 -10.720 -15.342 -10.185
  658    HG   SER  85           HG       SER  85  -9.524 -17.211 -10.346
  659    H    LYS  86           H        LYS  86  -7.536 -12.724 -10.177
  660    HA   LYS  86           HA       LYS  86  -7.790 -13.491 -13.038
  661   1HB   LYS  86          2HB       LYS  86  -8.643 -11.259 -12.198
  662   2HB   LYS  86          3HB       LYS  86  -6.982 -10.794 -11.881
  663   1HG   LYS  86          2HG       LYS  86  -6.987 -10.028 -13.995
  664   2HG   LYS  86          3HG       LYS  86  -6.781 -11.714 -14.477
  665   1HD   LYS  86          2HD       LYS  86  -8.950 -11.924 -15.213
  666   2HD   LYS  86          3HD       LYS  86  -9.619 -10.832 -13.990
  667   1HE   LYS  86          2HE       LYS  86  -8.709  -8.880 -15.131
  668   2HE   LYS  86          3HE       LYS  86  -7.982  -9.914 -16.374
  669   1HZ   LYS  86          1HZ       LYS  86 -10.062  -9.088 -17.158
  670   2HZ   LYS  86          2HZ       LYS  86 -10.269 -10.693 -16.854
  671   3HZ   LYS  86          3HZ       LYS  86 -10.863  -9.580 -15.802
  672    H    LEU  87           H        LEU  87  -5.391 -11.666 -11.067
  673    HA   LEU  87           HA       LEU  87  -3.198 -12.259 -12.712
  674   1HB   LEU  87          2HB       LEU  87  -1.821 -11.839 -10.618
  675   2HB   LEU  87          3HB       LEU  87  -2.881 -10.568 -11.186
  676    HG   LEU  87           HG       LEU  87  -4.423 -12.084  -9.281
  677   1HD1  LEU  87          1HD       LEU  87  -1.657 -11.468  -8.218
  678   2HD1  LEU  87          2HD       LEU  87  -3.079 -11.981  -7.274
  679   3HD1  LEU  87          3HD       LEU  87  -2.372 -13.089  -8.459
  680   1HD2  LEU  87          1HD       LEU  87  -3.765  -9.834  -7.914
  681   2HD2  LEU  87          2HD       LEU  87  -3.316  -9.311  -9.548
  682   3HD2  LEU  87          3HD       LEU  87  -4.929  -9.915  -9.218
  683    H    SER  88           H        SER  88  -1.941 -13.968 -13.016
  684    HA   SER  88           HA       SER  88  -1.134 -16.087 -12.942
  685   1HB   SER  88          2HB       SER  88  -0.318 -15.555 -10.713
  686   2HB   SER  88          3HB       SER  88  -1.891 -15.941  -9.996
  687    HG   SER  88           HG       SER  88  -1.676 -18.040 -10.688
  688    H    LYS  89           H        LYS  89  -2.868 -16.693 -14.442
  689    HA   LYS  89           HA       LYS  89  -4.359 -18.853 -13.304
  690   1HB   LYS  89          2HB       LYS  89  -6.572 -18.070 -13.495
  691   2HB   LYS  89          3HB       LYS  89  -5.736 -16.701 -12.815
  692   1HG   LYS  89          2HG       LYS  89  -6.738 -15.522 -14.480
  693   2HG   LYS  89          3HG       LYS  89  -5.432 -16.122 -15.484
  694   1HD   LYS  89          2HD       LYS  89  -7.217 -16.853 -16.758
  695   2HD   LYS  89          3HD       LYS  89  -7.176 -18.234 -15.671
  696   1HE   LYS  89          2HE       LYS  89  -9.411 -17.614 -15.554
  697   2HE   LYS  89          3HE       LYS  89  -8.735 -16.755 -14.153
  698   1HZ   LYS  89          1HZ       LYS  89  -9.206 -15.609 -16.831
  699   2HZ   LYS  89          2HZ       LYS  89 -10.111 -15.315 -15.487
  700   3HZ   LYS  89          3HZ       LYS  89  -8.546 -14.802 -15.550
  701    HA   PRO  90           HA       PRO  90  -3.834 -20.072 -17.536
  702   1HB   PRO  90          2HB       PRO  90  -5.831 -22.011 -17.807
  703   2HB   PRO  90          3HB       PRO  90  -4.272 -22.228 -16.983
  704   1HG   PRO  90          2HG       PRO  90  -6.975 -21.897 -15.787
  705   2HG   PRO  90          3HG       PRO  90  -5.504 -22.643 -15.096
  706   1HD   PRO  90          2HD       PRO  90  -6.552 -20.044 -14.571
  707   2HD   PRO  90          3HD       PRO  90  -5.006 -20.723 -14.001
  708    H    MET  91           H        MET  91  -4.619 -17.748 -17.963
  709    HA   MET  91           HA       MET  91  -7.347 -17.410 -18.860
  710   1HB   MET  91          2HB       MET  91  -5.506 -15.666 -17.974
  711   2HB   MET  91          3HB       MET  91  -5.090 -15.579 -19.689
  712   1HG   MET  91          2HG       MET  91  -7.601 -15.213 -20.120
  713   2HG   MET  91          3HG       MET  91  -7.763 -14.997 -18.375
  714   1HE   MET  91          1HE       MET  91  -5.126 -13.409 -17.501
  715   2HE   MET  91          2HE       MET  91  -5.841 -11.784 -17.581
  716   3HE   MET  91          3HE       MET  91  -6.813 -13.153 -16.993
  717    H    GLU  92           H        GLU  92  -8.144 -18.170 -20.743
  718    HA   GLU  92           HA       GLU  92  -6.226 -18.819 -22.882
  719   1HB   GLU  92          2HB       GLU  92  -8.612 -20.034 -21.849
  720   2HB   GLU  92          3HB       GLU  92  -8.978 -19.521 -23.497
  721   1HG   GLU  92          2HG       GLU  92  -7.440 -20.943 -24.456
  722   2HG   GLU  92          3HG       GLU  92  -6.319 -20.861 -23.096
  723    H    THR  93           H        THR  93  -5.913 -17.462 -24.540
  724    HA   THR  93           HA       THR  93  -8.045 -15.507 -25.172
  725    HB   THR  93           HB       THR  93  -6.065 -14.036 -25.774
  726    HG1  THR  93          1HG       THR  93  -4.198 -15.009 -25.741
  727   1HG2  THR  93          1HG       THR  93  -6.079 -15.017 -22.879
  728   2HG2  THR  93          2HG       THR  93  -5.458 -13.467 -23.459
  729   3HG2  THR  93          3HG       THR  93  -7.202 -13.808 -23.545
  730    H    LEU  94           H        LEU  94  -7.469 -14.583 -27.479
  731    HA   LEU  94           HA       LEU  94  -7.739 -16.662 -29.435
  732   1HB   LEU  94          2HB       LEU  94  -8.533 -14.261 -29.695
  733   2HB   LEU  94          3HB       LEU  94  -6.839 -13.795 -29.673
  734    HG   LEU  94           HG       LEU  94  -6.899 -15.630 -31.828
  735   1HD1  LEU  94          1HD       LEU  94  -9.552 -14.311 -31.833
  736   2HD1  LEU  94          2HD       LEU  94  -8.732 -15.144 -33.190
  737   3HD1  LEU  94          3HD       LEU  94  -9.150 -16.051 -31.728
  738   1HD2  LEU  94          1HD       LEU  94  -6.263 -13.866 -33.058
  739   2HD2  LEU  94          2HD       LEU  94  -7.566 -12.808 -32.445
  740   3HD2  LEU  94          3HD       LEU  94  -6.080 -13.087 -31.502
  741    HHA  HEM  95          MHG       HEM  95  11.805  -1.011   8.668
  742    HHB  HEM  95          MHD       HEM  95   5.521  -0.261   9.516
  743    HHC  HEM  95          MHA       HEM  95   4.782  -0.607   3.168
  744    HHD  HEM  95          MHB       HEM  95  11.099  -0.417   2.353
  745   1HMA  HEM  95          1HM       HEM  95   7.963  -1.236  12.296
  746   2HMA  HEM  95          2HM       HEM  95   7.008   0.192  11.816
  747   3HMA  HEM  95          3HM       HEM  95   6.501  -1.420  11.369
  748   1HAA  HEM  95          1HP       HEM  95  10.099  -1.288  12.028
  749   2HAA  HEM  95          2HP       HEM  95  11.269  -0.473  11.025
  750   1HBA  HEM  95          3HP       HEM  95  10.708  -3.157   9.968
  751   2HBA  HEM  95          4HP       HEM  95  11.073  -3.263  11.679
  752   1HMB  HEM  95          1HM       HEM  95   2.168  -0.345   7.738
  753   2HMB  HEM  95          2HM       HEM  95   3.284  -1.256   8.744
  754   3HMB  HEM  95          3HM       HEM  95   3.350   0.484   8.826
  755    HAB  HEM  95          AHT       HEM  95   3.018  -1.150   3.945
  756   1HBB  HEM  95          CHV       HEM  95   2.057  -2.341   5.789
  757   2HBB  HEM  95          THV       HEM  95   0.935  -1.416   4.699
  758   1HMC  HEM  95          1HM       HEM  95   5.057  -0.969   1.214
  759   2HMC  HEM  95          2HM       HEM  95   5.939   0.033   0.140
  760   3HMC  HEM  95          3HM       HEM  95   6.247  -1.745   0.204
  761    HAC  HEM  95          AHT       HEM  95  10.280  -0.208   0.453
  762   1HBC  HEM  95          THV       HEM  95   9.403   0.420  -1.502
  763   2HBC  HEM  95          CHV       HEM  95   7.700   0.353  -0.842
  764   1HMD  HEM  95          1HM       HEM  95  13.946  -1.190   3.442
  765   2HMD  HEM  95          2HM       HEM  95  13.085   0.204   2.783
  766   3HMD  HEM  95          3HM       HEM  95  14.259   0.442   4.066
  767   1HAD  HEM  95          1HP       HEM  95  13.647  -0.363   7.938
  768   2HAD  HEM  95          2HP       HEM  95  14.368   0.425   6.575
  769   1HBD  HEM  95          3HP       HEM  95  14.403  -2.393   5.995
  770   2HBD  HEM  95          4HP       HEM  95  14.851  -2.218   7.690
  Start of MODEL   25
    1   1H    ASP   1           H1       ASP   1 -13.380  -2.803  12.315
    2   2H    ASP   1           H2       ASP   1 -14.945  -2.849  12.223
    3   3H    ASP   1           H3       ASP   1 -14.017  -3.406  13.594
    4    HA   ASP   1           HA       ASP   1 -14.939  -5.129  11.677
    5   1HB   ASP   1          2HB       ASP   1 -13.256  -6.640  12.474
    6   2HB   ASP   1          3HB       ASP   1 -12.082  -5.320  12.639
    7    H    LYS   2           H        LYS   2 -13.283  -6.085   9.856
    8    HA   LYS   2           HA       LYS   2 -11.701  -3.744   8.859
    9   1HB   LYS   2          2HB       LYS   2 -11.126  -6.493   9.151
   10   2HB   LYS   2          3HB       LYS   2 -11.307  -6.226   7.419
   11   1HG   LYS   2          2HG       LYS   2  -9.202  -5.412   7.434
   12   2HG   LYS   2          3HG       LYS   2  -9.817  -3.985   8.212
   13   1HD   LYS   2          2HD       LYS   2  -9.203  -6.339  10.015
   14   2HD   LYS   2          3HD       LYS   2  -7.847  -5.546   9.247
   15   1HE   LYS   2          2HE       LYS   2  -9.935  -4.223  11.039
   16   2HE   LYS   2          3HE       LYS   2  -8.252  -4.568  11.442
   17   1HZ   LYS   2          1HZ       LYS   2  -7.907  -2.464  10.698
   18   2HZ   LYS   2          2HZ       LYS   2  -8.005  -3.113   9.205
   19   3HZ   LYS   2          3HZ       LYS   2  -9.333  -2.422   9.869
   20    H    ASP   3           H        ASP   3 -12.181  -2.722   7.020
   21    HA   ASP   3           HA       ASP   3 -14.736  -3.499   5.760
   22   1HB   ASP   3          2HB       ASP   3 -13.289  -0.980   6.270
   23   2HB   ASP   3          3HB       ASP   3 -13.615  -1.154   4.555
   24    H    VAL   4           H        VAL   4 -14.834  -3.370   3.354
   25    HA   VAL   4           HA       VAL   4 -12.263  -3.926   2.025
   26    HB   VAL   4           HB       VAL   4 -14.618  -5.743   1.514
   27   1HG1  VAL   4          1HG       VAL   4 -13.096  -6.959   0.329
   28   2HG1  VAL   4          2HG       VAL   4 -12.246  -5.407   0.265
   29   3HG1  VAL   4          3HG       VAL   4 -11.780  -6.633   1.468
   30   1HG2  VAL   4          1HG       VAL   4 -12.500  -6.227   3.654
   31   2HG2  VAL   4          2HG       VAL   4 -14.222  -5.905   3.976
   32   3HG2  VAL   4          3HG       VAL   4 -13.761  -7.369   3.127
   33    H    LYS   5           H        LYS   5 -12.442  -1.966   0.965
   34    HA   LYS   5           HA       LYS   5 -14.923  -1.415  -0.551
   35   1HB   LYS   5          2HB       LYS   5 -12.464   0.173   0.208
   36   2HB   LYS   5          3HB       LYS   5 -13.418   0.642  -1.215
   37   1HG   LYS   5          2HG       LYS   5 -14.503   1.875   0.373
   38   2HG   LYS   5          3HG       LYS   5 -15.474   0.405   0.379
   39   1HD   LYS   5          2HD       LYS   5 -15.112   0.530   2.656
   40   2HD   LYS   5          3HD       LYS   5 -13.617  -0.307   2.242
   41   1HE   LYS   5          2HE       LYS   5 -12.727   1.447   3.445
   42   2HE   LYS   5          3HE       LYS   5 -12.698   2.155   1.827
   43   1HZ   LYS   5          1HZ       LYS   5 -14.921   3.100   2.390
   44   2HZ   LYS   5          2HZ       LYS   5 -14.734   2.552   3.933
   45   3HZ   LYS   5          3HZ       LYS   5 -13.700   3.692   3.326
   46    H    TYR   6           H        TYR   6 -14.494  -3.472  -1.728
   47    HA   TYR   6           HA       TYR   6 -12.605  -4.219  -3.419
   48   1HB   TYR   6          2HB       TYR   6 -15.562  -3.883  -4.040
   49   2HB   TYR   6          3HB       TYR   6 -14.476  -4.883  -4.993
   50    HD1  TYR   6           HD1      TYR   6 -13.487  -6.927  -4.027
   51    HD2  TYR   6           HD2      TYR   6 -16.442  -4.642  -1.905
   52    HE1  TYR   6           HE1      TYR   6 -13.925  -8.891  -2.531
   53    HE2  TYR   6           HE2      TYR   6 -16.877  -6.573  -0.409
   54    HH   TYR   6           HH       TYR   6 -15.477  -8.679   0.375
   55    H    TYR   7           H        TYR   7 -11.316  -2.428  -4.151
   56    HA   TYR   7           HA       TYR   7 -12.372  -0.460  -5.921
   57   1HB   TYR   7          2HB       TYR   7  -9.657  -1.113  -4.656
   58   2HB   TYR   7          3HB       TYR   7  -9.838   0.133  -5.804
   59    HD1  TYR   7           HD1      TYR   7 -11.869   1.886  -5.276
   60    HD2  TYR   7           HD2      TYR   7  -9.809  -0.528  -2.385
   61    HE1  TYR   7           HE1      TYR   7 -12.563   3.470  -3.504
   62    HE2  TYR   7           HE2      TYR   7 -10.563   1.005  -0.599
   63    HH   TYR   7           HH       TYR   7 -12.870   3.553  -1.107
   64    H    THR   8           H        THR   8 -11.581  -0.141  -8.054
   65    HA   THR   8           HA       THR   8 -10.896  -2.686  -9.390
   66    HB   THR   8           HB       THR   8 -11.344  -1.007 -11.410
   67    HG1  THR   8          1HG       THR   8 -11.797   0.960 -10.688
   68   1HG2  THR   8          1HG       THR   8 -13.922  -1.115 -10.650
   69   2HG2  THR   8          2HG       THR   8 -13.043  -2.601 -11.105
   70   3HG2  THR   8          3HG       THR   8 -13.237  -2.144  -9.398
   71    H    LEU   9           H        LEU   9  -9.142  -2.827 -10.851
   72    HA   LEU   9           HA       LEU   9  -6.696  -1.952  -9.975
   73   1HB   LEU   9          2HB       LEU   9  -7.359  -2.396 -12.884
   74   2HB   LEU   9          3HB       LEU   9  -5.764  -2.410 -12.143
   75    HG   LEU   9           HG       LEU   9  -6.176  -4.661 -12.216
   76   1HD1  LEU   9          1HD       LEU   9  -6.779  -5.517  -9.997
   77   2HD1  LEU   9          2HD       LEU   9  -5.725  -4.091  -9.858
   78   3HD1  LEU   9          3HD       LEU   9  -7.469  -3.974  -9.535
   79   1HD2  LEU   9          1HD       LEU   9  -8.152  -5.376 -12.894
   80   2HD2  LEU   9          2HD       LEU   9  -8.811  -5.117 -11.257
   81   3HD2  LEU   9          3HD       LEU   9  -8.927  -3.849 -12.484
   82    H    GLU  10           H        GLU  10  -8.919  -0.257 -12.126
   83    HA   GLU  10           HA       GLU  10  -7.267   1.916 -12.869
   84   1HB   GLU  10          2HB       GLU  10 -10.201   1.386 -12.787
   85   2HB   GLU  10          3HB       GLU  10  -9.683   3.074 -12.899
   86   1HG   GLU  10          2HG       GLU  10  -8.497   0.973 -14.740
   87   2HG   GLU  10          3HG       GLU  10 -10.033   1.773 -15.111
   88    H    GLU  11           H        GLU  11  -9.351   1.436  -9.995
   89    HA   GLU  11           HA       GLU  11  -9.028   4.047  -8.960
   90   1HB   GLU  11          2HB       GLU  11  -9.956   1.389  -7.898
   91   2HB   GLU  11          3HB       GLU  11  -9.415   2.561  -6.732
   92   1HG   GLU  11          2HG       GLU  11 -11.550   2.921  -8.857
   93   2HG   GLU  11          3HG       GLU  11 -11.805   2.788  -7.118
   94    H    ILE  12           H        ILE  12  -7.275   0.972  -8.293
   95    HA   ILE  12           HA       ILE  12  -5.497   2.098  -6.407
   96    HB   ILE  12           HB       ILE  12  -5.034  -0.132  -8.411
   97   1HG1  ILE  12          2HG       ILE  12  -5.446  -0.968  -5.677
   98   2HG1  ILE  12          3HG       ILE  12  -6.760   0.100  -6.115
   99   1HG2  ILE  12          1HG       ILE  12  -3.569   0.221  -5.767
  100   2HG2  ILE  12          2HG       ILE  12  -3.184  -0.856  -7.143
  101   3HG2  ILE  12          3HG       ILE  12  -2.950   0.850  -7.309
  102   1HD1  ILE  12          1HD       ILE  12  -7.173  -1.259  -8.100
  103   2HD1  ILE  12          2HD       ILE  12  -5.813  -2.302  -7.739
  104   3HD1  ILE  12          3HD       ILE  12  -7.249  -2.228  -6.664
  105    H    LYS  13           H        LYS  13  -5.310   1.967  -9.931
  106    HA   LYS  13           HA       LYS  13  -2.786   3.505  -9.931
  107   1HB   LYS  13          2HB       LYS  13  -2.768   3.150 -12.350
  108   2HB   LYS  13          3HB       LYS  13  -2.949   1.638 -11.452
  109   1HG   LYS  13          2HG       LYS  13  -5.541   2.381 -11.854
  110   2HG   LYS  13          3HG       LYS  13  -4.853   2.990 -13.328
  111   1HD   LYS  13          2HD       LYS  13  -4.235   0.157 -12.363
  112   2HD   LYS  13          3HD       LYS  13  -5.759   0.494 -13.165
  113   1HE   LYS  13          2HE       LYS  13  -3.693   1.759 -14.663
  114   2HE   LYS  13          3HE       LYS  13  -3.267   0.052 -14.394
  115   1HZ   LYS  13          1HZ       LYS  13  -5.314  -0.606 -15.338
  116   2HZ   LYS  13          2HZ       LYS  13  -5.928   0.929 -15.323
  117   3HZ   LYS  13          3HZ       LYS  13  -4.720   0.538 -16.369
  118    H    LYS  14           H        LYS  14  -5.318   4.622  -8.882
  119    HA   LYS  14           HA       LYS  14  -5.599   6.909 -10.744
  120   1HB   LYS  14          2HB       LYS  14  -7.584   5.319  -9.597
  121   2HB   LYS  14          3HB       LYS  14  -7.590   6.698  -8.555
  122   1HG   LYS  14          2HG       LYS  14  -8.996   7.509 -10.166
  123   2HG   LYS  14          3HG       LYS  14  -7.502   7.899 -11.035
  124   1HD   LYS  14          2HD       LYS  14  -7.636   5.873 -12.339
  125   2HD   LYS  14          3HD       LYS  14  -8.955   5.230 -11.330
  126   1HE   LYS  14          2HE       LYS  14 -10.570   6.372 -12.315
  127   2HE   LYS  14          3HE       LYS  14  -9.606   7.847 -12.429
  128   1HZ   LYS  14          1HZ       LYS  14 -10.045   5.851 -14.420
  129   2HZ   LYS  14          2HZ       LYS  14  -9.429   7.373 -14.576
  130   3HZ   LYS  14          3HZ       LYS  14  -8.452   6.098 -14.205
  131    H    HIS  15           H        HIS  15  -4.516   5.853  -7.541
  132    HA   HIS  15           HA       HIS  15  -4.524   8.598  -6.554
  133   1HB   HIS  15          2HB       HIS  15  -3.459   6.075  -5.267
  134   2HB   HIS  15          3HB       HIS  15  -3.793   7.619  -4.489
  135    HD1  HIS  15           HD1      HIS  15  -6.239   8.101  -3.781
  136    HD2  HIS  15           HD2      HIS  15  -5.693   4.562  -5.982
  137    HE1  HIS  15           HE1      HIS  15  -8.454   6.803  -3.694
  138    H    ASN  16           H        ASN  16  -1.868   7.352  -5.154
  139    HA   ASN  16           HA       ASN  16   0.315   7.883  -5.336
  140   1HB   ASN  16          2HB       ASN  16   1.427   6.879  -7.346
  141   2HB   ASN  16          3HB       ASN  16   0.361   5.761  -6.432
  142   1HD2  ASN  16          1HD       ASN  16  -1.714   5.226  -7.238
  143   2HD2  ASN  16          2HD       ASN  16  -2.038   5.389  -8.952
  144    H    HIS  17           H        HIS  17  -0.579  10.205  -5.467
  145    HA   HIS  17           HA       HIS  17   0.588  11.396  -7.965
  146   1HB   HIS  17          2HB       HIS  17  -1.238  13.114  -7.831
  147   2HB   HIS  17          3HB       HIS  17  -1.743  11.510  -8.365
  148    HD1  HIS  17           HD1      HIS  17  -1.840  13.696  -5.233
  149    HD2  HIS  17           HD2      HIS  17  -3.758  10.442  -7.037
  150    HE1  HIS  17           HE1      HIS  17  -3.859  13.104  -3.723
  151    H    SER  18           H        SER  18  -0.381  11.854  -4.561
  152    HA   SER  18           HA       SER  18   2.039  12.915  -3.704
  153   1HB   SER  18          2HB       SER  18   1.880  14.876  -5.055
  154   2HB   SER  18          3HB       SER  18   0.126  15.002  -4.810
  155    HG   SER  18           HG       SER  18   1.108  16.527  -3.544
  156    H    LYS  19           H        LYS  19  -1.391  13.985  -3.385
  157    HA   LYS  19           HA       LYS  19  -1.196  13.544  -0.478
  158   1HB   LYS  19          2HB       LYS  19  -2.851  15.301  -2.286
  159   2HB   LYS  19          3HB       LYS  19  -3.620  14.683  -0.834
  160   1HG   LYS  19          2HG       LYS  19  -1.501  15.432   0.438
  161   2HG   LYS  19          3HG       LYS  19  -1.133  16.397  -0.996
  162   1HD   LYS  19          2HD       LYS  19  -2.797  17.914  -0.522
  163   2HD   LYS  19          3HD       LYS  19  -3.948  16.669  -0.061
  164   1HE   LYS  19          2HE       LYS  19  -3.674  17.303   2.067
  165   2HE   LYS  19          3HE       LYS  19  -2.119  16.481   2.009
  166   1HZ   LYS  19          1HZ       LYS  19  -2.655  19.237   2.211
  167   2HZ   LYS  19          2HZ       LYS  19  -1.216  18.450   2.385
  168   3HZ   LYS  19          3HZ       LYS  19  -1.703  18.957   0.900
  169    H    SER  20           H        SER  20  -1.067  11.208  -1.787
  170    HA   SER  20           HA       SER  20  -3.039   9.647  -0.666
  171   1HB   SER  20          2HB       SER  20  -4.188  10.971  -2.885
  172   2HB   SER  20          3HB       SER  20  -3.872   9.354  -3.447
  173    HG   SER  20           HG       SER  20  -5.898   9.616  -2.414
  174    H    THR  21           H        THR  21  -1.470   8.139  -0.338
  175    HA   THR  21           HA       THR  21   0.067   7.154  -2.685
  176    HB   THR  21           HB       THR  21   0.795   7.106   0.263
  177    HG1  THR  21          1HG       THR  21   0.686   9.175  -0.876
  178   1HG2  THR  21          1HG       THR  21   1.863   5.313  -1.130
  179   2HG2  THR  21          2HG       THR  21   2.446   6.585  -2.235
  180   3HG2  THR  21          3HG       THR  21   3.005   6.543  -0.541
  181    H    TRP  22           H        TRP  22  -1.241   5.542  -3.440
  182    HA   TRP  22           HA       TRP  22  -2.301   3.624  -1.424
  183   1HB   TRP  22          2HB       TRP  22  -3.016   4.363  -4.234
  184   2HB   TRP  22          3HB       TRP  22  -3.392   2.765  -3.669
  185    HD1  TRP  22           HD1      TRP  22  -3.693   5.746  -1.226
  186    HE1  TRP  22           HE1      TRP  22  -6.110   6.026  -0.543
  187    HE3  TRP  22           HE3      TRP  22  -5.708   2.349  -4.409
  188    HZ2  TRP  22           HZ2      TRP  22  -8.709   4.944  -1.400
  189    HZ3  TRP  22           HZ3      TRP  22  -8.164   2.016  -4.532
  190    HH2  TRP  22           HH2      TRP  22  -9.639   3.343  -3.060
  191    H    LEU  23           H        LEU  23  -1.977   1.308  -1.870
  192    HA   LEU  23           HA       LEU  23  -0.071   0.482  -3.870
  193   1HB   LEU  23          2HB       LEU  23   1.679  -0.289  -2.218
  194   2HB   LEU  23          3HB       LEU  23   1.626   1.422  -2.566
  195    HG   LEU  23           HG       LEU  23   0.199   1.666  -0.384
  196   1HD1  LEU  23          1HD       LEU  23   0.624  -0.070   1.248
  197   2HD1  LEU  23          2HD       LEU  23  -0.248  -0.727  -0.152
  198   3HD1  LEU  23          3HD       LEU  23   1.474  -1.009  -0.017
  199   1HD2  LEU  23          1HD       LEU  23   2.164   2.577   0.122
  200   2HD2  LEU  23          2HD       LEU  23   2.674   0.995   0.780
  201   3HD2  LEU  23          3HD       LEU  23   3.085   1.460  -0.869
  202    H    ILE  24           H        ILE  24   0.251  -1.844  -3.755
  203    HA   ILE  24           HA       ILE  24  -2.031  -3.122  -2.415
  204    HB   ILE  24           HB       ILE  24  -0.519  -3.990  -4.927
  205   1HG1  ILE  24          2HG       ILE  24  -3.272  -2.841  -4.452
  206   2HG1  ILE  24          3HG       ILE  24  -1.914  -1.993  -5.260
  207   1HG2  ILE  24          1HG       ILE  24  -1.859  -5.878  -5.006
  208   2HG2  ILE  24          2HG       ILE  24  -1.716  -5.741  -3.259
  209   3HG2  ILE  24          3HG       ILE  24  -3.178  -5.139  -4.053
  210   1HD1  ILE  24          1HD       ILE  24  -3.622  -2.928  -6.865
  211   2HD1  ILE  24          2HD       ILE  24  -1.968  -3.543  -7.123
  212   3HD1  ILE  24          3HD       ILE  24  -3.181  -4.537  -6.316
  213    H    LEU  25           H        LEU  25  -1.307  -4.073  -0.583
  214    HA   LEU  25           HA       LEU  25   1.265  -5.562  -0.661
  215   1HB   LEU  25          2HB       LEU  25   0.094  -3.807   1.465
  216   2HB   LEU  25          3HB       LEU  25   1.205  -5.103   1.894
  217    HG   LEU  25           HG       LEU  25   1.893  -3.020  -0.196
  218   1HD1  LEU  25          1HD       LEU  25   1.334  -2.013   2.035
  219   2HD1  LEU  25          2HD       LEU  25   2.570  -3.057   2.765
  220   3HD1  LEU  25          3HD       LEU  25   3.032  -1.812   1.571
  221   1HD2  LEU  25          1HD       LEU  25   3.211  -4.880  -0.338
  222   2HD2  LEU  25          2HD       LEU  25   4.217  -3.681   0.487
  223   3HD2  LEU  25          3HD       LEU  25   3.492  -5.030   1.407
  224    H    HIS  26           H        HIS  26   0.112  -7.292  -1.427
  225    HA   HIS  26           HA       HIS  26  -0.681  -9.450  -1.015
  226   1HB   HIS  26          2HB       HIS  26  -1.439  -8.678   1.847
  227   2HB   HIS  26          3HB       HIS  26  -1.167 -10.253   1.175
  228    HD1  HIS  26           HD1      HIS  26   1.394 -10.940   0.702
  229    HD2  HIS  26           HD2      HIS  26   0.803  -7.246   2.636
  230    HE1  HIS  26           HE1      HIS  26   3.651 -10.224   1.661
  231    H    HIS  27           H        HIS  27  -2.308  -8.670  -2.613
  232    HA   HIS  27           HA       HIS  27  -4.389  -8.126  -3.298
  233   1HB   HIS  27          2HB       HIS  27  -6.134  -9.820  -2.516
  234   2HB   HIS  27          3HB       HIS  27  -4.685 -10.466  -3.260
  235    HD1  HIS  27           HD1      HIS  27  -2.739 -11.255  -1.359
  236    HD2  HIS  27           HD2      HIS  27  -6.776 -11.020  -0.213
  237    HE1  HIS  27           HE1      HIS  27  -2.965 -12.643   0.777
  238    H    LYS  28           H        LYS  28  -3.712  -6.190  -1.608
  239    HA   LYS  28           HA       LYS  28  -6.250  -5.527  -0.324
  240   1HB   LYS  28          2HB       LYS  28  -3.741  -6.205   1.187
  241   2HB   LYS  28          3HB       LYS  28  -4.581  -4.746   1.672
  242   1HG   LYS  28          2HG       LYS  28  -6.433  -5.846   2.435
  243   2HG   LYS  28          3HG       LYS  28  -6.371  -7.100   1.257
  244   1HD   LYS  28          2HD       LYS  28  -4.760  -8.385   2.367
  245   2HD   LYS  28          3HD       LYS  28  -4.256  -7.072   3.404
  246   1HE   LYS  28          2HE       LYS  28  -5.612  -8.058   4.928
  247   2HE   LYS  28          3HE       LYS  28  -6.897  -7.171   4.091
  248   1HZ   LYS  28          1HZ       LYS  28  -7.467  -9.037   2.856
  249   2HZ   LYS  28          2HZ       LYS  28  -6.094  -9.877   3.282
  250   3HZ   LYS  28          3HZ       LYS  28  -7.281  -9.598   4.393
  251    H    VAL  29           H        VAL  29  -6.281  -3.142   0.184
  252    HA   VAL  29           HA       VAL  29  -4.350  -1.653  -1.462
  253    HB   VAL  29           HB       VAL  29  -7.345  -1.568  -1.144
  254   1HG1  VAL  29          1HG       VAL  29  -6.362   0.676  -0.767
  255   2HG1  VAL  29          2HG       VAL  29  -5.653   0.626  -2.359
  256   3HG1  VAL  29          3HG       VAL  29  -7.434   0.556  -2.173
  257   1HG2  VAL  29          1HG       VAL  29  -7.472  -2.205  -3.254
  258   2HG2  VAL  29          2HG       VAL  29  -6.224  -1.059  -3.735
  259   3HG2  VAL  29          3HG       VAL  29  -5.757  -2.662  -3.101
  260    H    TYR  30           H        TYR  30  -3.066  -0.553  -0.051
  261    HA   TYR  30           HA       TYR  30  -4.232   0.425   2.485
  262   1HB   TYR  30          2HB       TYR  30  -1.483  -0.231   1.449
  263   2HB   TYR  30          3HB       TYR  30  -1.744   0.523   2.975
  264    HD1  TYR  30           HD1      TYR  30  -2.706  -0.774   4.826
  265    HD2  TYR  30           HD2      TYR  30  -1.925  -2.600   1.052
  266    HE1  TYR  30           HE1      TYR  30  -3.013  -3.063   5.862
  267    HE2  TYR  30           HE2      TYR  30  -2.181  -4.818   2.097
  268    HH   TYR  30           HH       TYR  30  -2.471  -6.008   3.996
  269    H    ASP  31           H        ASP  31  -3.377   2.509   3.228
  270    HA   ASP  31           HA       ASP  31  -2.766   4.322   0.948
  271   1HB   ASP  31          2HB       ASP  31  -5.089   4.415   2.070
  272   2HB   ASP  31          3HB       ASP  31  -4.273   5.218   3.415
  273    H    LEU  32           H        LEU  32  -0.526   4.249   1.324
  274    HA   LEU  32           HA       LEU  32   0.428   4.920   4.051
  275   1HB   LEU  32          2HB       LEU  32   1.975   4.251   1.525
  276   2HB   LEU  32          3HB       LEU  32   2.621   4.527   3.143
  277    HG   LEU  32           HG       LEU  32   1.273   2.123   2.069
  278   1HD1  LEU  32          1HD       LEU  32   3.745   2.698   3.069
  279   2HD1  LEU  32          2HD       LEU  32   2.951   1.978   4.489
  280   3HD1  LEU  32          3HD       LEU  32   3.079   1.073   2.992
  281   1HD2  LEU  32          1HD       LEU  32   0.708   3.016   4.890
  282   2HD2  LEU  32          2HD       LEU  32  -0.439   2.574   3.600
  283   3HD2  LEU  32          3HD       LEU  32   0.566   1.340   4.306
  284    H    THR  33           H        THR  33  -1.115   6.839   2.908
  285    HA   THR  33           HA       THR  33   0.665   8.921   1.801
  286    HB   THR  33           HB       THR  33  -2.130   8.407   1.712
  287    HG1  THR  33          1HG       THR  33  -0.581  10.637   0.860
  288   1HG2  THR  33          1HG       THR  33  -1.468  11.160   2.737
  289   2HG2  THR  33          2HG       THR  33  -3.043  10.642   2.063
  290   3HG2  THR  33          3HG       THR  33  -2.512   9.979   3.596
  291    H    LYS  34           H        LYS  34  -1.347   8.465   4.734
  292    HA   LYS  34           HA       LYS  34  -0.093  10.829   5.922
  293   1HB   LYS  34          2HB       LYS  34  -2.502   9.306   6.370
  294   2HB   LYS  34          3HB       LYS  34  -1.522   9.167   7.830
  295   1HG   LYS  34          2HG       LYS  34  -1.243  11.851   7.345
  296   2HG   LYS  34          3HG       LYS  34  -2.793  11.577   6.552
  297   1HD   LYS  34          2HD       LYS  34  -2.916  10.225   9.092
  298   2HD   LYS  34          3HD       LYS  34  -2.100  11.767   9.368
  299   1HE   LYS  34          2HE       LYS  34  -4.089  12.708   7.863
  300   2HE   LYS  34          3HE       LYS  34  -4.895  11.207   8.347
  301   1HZ   LYS  34          1HZ       LYS  34  -3.621  12.846  10.398
  302   2HZ   LYS  34          2HZ       LYS  34  -5.061  13.353   9.788
  303   3HZ   LYS  34          3HZ       LYS  34  -4.945  11.878  10.520
  304    H    PHE  35           H        PHE  35   0.997   7.794   5.288
  305    HA   PHE  35           HA       PHE  35   2.504   7.551   7.787
  306   1HB   PHE  35          2HB       PHE  35   1.110   5.640   6.727
  307   2HB   PHE  35          3HB       PHE  35   2.293   5.649   5.428
  308    HD1  PHE  35          1HD       PHE  35   2.918   6.070   9.131
  309    HD2  PHE  35          2HD       PHE  35   3.349   3.587   5.672
  310    HE1  PHE  35          1HE       PHE  35   4.332   4.536  10.436
  311    HE2  PHE  35          2HE       PHE  35   4.758   2.015   7.031
  312    HZ   PHE  35           HZ       PHE  35   5.318   2.538   9.357
  313    H    LEU  36           H        LEU  36   2.723   8.635   4.505
  314    HA   LEU  36           HA       LEU  36   5.326   7.997   3.752
  315   1HB   LEU  36          2HB       LEU  36   3.534  10.454   3.447
  316   2HB   LEU  36          3HB       LEU  36   5.206  10.544   2.925
  317    HG   LEU  36           HG       LEU  36   3.018   8.784   1.805
  318   1HD1  LEU  36          1HD       LEU  36   2.854  10.906   0.908
  319   2HD1  LEU  36          2HD       LEU  36   4.620  11.088   0.736
  320   3HD1  LEU  36          3HD       LEU  36   3.721   9.959  -0.310
  321   1HD2  LEU  36          1HD       LEU  36   6.002   8.632   1.432
  322   2HD2  LEU  36          2HD       LEU  36   4.824   7.359   1.750
  323   3HD2  LEU  36          3HD       LEU  36   4.895   8.112   0.154
  324    H    GLU  37           H        GLU  37   4.659  10.958   5.559
  325    HA   GLU  37           HA       GLU  37   7.496  10.837   6.382
  326   1HB   GLU  37          2HB       GLU  37   5.319  12.900   6.865
  327   2HB   GLU  37          3HB       GLU  37   7.020  13.066   7.365
  328   1HG   GLU  37          2HG       GLU  37   7.814  13.146   5.149
  329   2HG   GLU  37          3HG       GLU  37   6.306  12.522   4.463
  330    H    GLU  38           H        GLU  38   5.702   8.800   7.335
  331    HA   GLU  38           HA       GLU  38   6.133   9.159  10.209
  332   1HB   GLU  38          2HB       GLU  38   3.482   9.144   8.926
  333   2HB   GLU  38          3HB       GLU  38   3.643   7.821  10.071
  334   1HG   GLU  38          2HG       GLU  38   4.753   9.893  11.515
  335   2HG   GLU  38          3HG       GLU  38   3.529  10.732  10.562
  336    H    HIS  39           HN       HIS  39   7.116   7.491   7.710
  337    HA   HIS  39           HA       HIS  39   6.619   4.866   8.871
  338   1HB   HIS  39          2HB       HIS  39   6.035   4.957   6.585
  339   2HB   HIS  39          3HB       HIS  39   7.553   5.697   6.168
  340    HD1  HIS  39           HND      HIS  39   9.131   4.109   5.083
  341    HD2  HIS  39           HD       HIS  39   6.703   2.069   7.751
  342    HE1  HIS  39           HE       HIS  39   9.793   1.792   4.901
  343    HA   PRO  40           HA       PRO  40  10.759   5.222  10.462
  344   1HB   PRO  40          2HB       PRO  40  10.950   2.647  11.511
  345   2HB   PRO  40          3HB       PRO  40  10.176   4.039  12.307
  346   1HG   PRO  40          2HG       PRO  40   8.912   1.713  11.014
  347   2HG   PRO  40          3HG       PRO  40   8.235   2.816  12.237
  348   1HD   PRO  40          2HD       PRO  40   7.756   2.788   9.446
  349   2HD   PRO  40          3HD       PRO  40   7.197   4.000  10.628
  350    H    GLY  41           H        GLY  41  11.758   5.457   8.413
  351   1HA   GLY  41          2HA       GLY  41  13.810   3.869   7.732
  352   2HA   GLY  41          3HA       GLY  41  12.480   3.002   6.935
  353    H    GLY  42           H        GLY  42  11.030   4.363   5.540
  354   1HA   GLY  42          2HA       GLY  42  12.302   6.753   4.379
  355   2HA   GLY  42          3HA       GLY  42  12.157   5.337   3.315
  356    H    GLU  43           H        GLU  43  10.920   7.485   2.546
  357    HA   GLU  43           HA       GLU  43   8.020   6.838   2.908
  358   1HB   GLU  43          2HB       GLU  43   7.495   9.125   2.846
  359   2HB   GLU  43          3HB       GLU  43   8.796   8.922   4.025
  360   1HG   GLU  43          2HG       GLU  43  10.401   9.648   2.216
  361   2HG   GLU  43          3HG       GLU  43   8.992  10.023   1.194
  362    H    GLU  44           H        GLU  44  10.540   8.175   0.752
  363    HA   GLU  44           HA       GLU  44   8.900   8.457  -1.512
  364   1HB   GLU  44          2HB       GLU  44  10.870   8.725  -2.742
  365   2HB   GLU  44          3HB       GLU  44  11.410   9.115  -1.097
  366   1HG   GLU  44          2HG       GLU  44  12.118   6.650  -0.898
  367   2HG   GLU  44          3HG       GLU  44  11.811   6.503  -2.646
  368    H    VAL  45           H        VAL  45  10.579   5.615  -0.208
  369    HA   VAL  45           HA       VAL  45  10.254   3.856  -2.354
  370    HB   VAL  45           HB       VAL  45  10.159   2.085  -0.586
  371   1HG1  VAL  45          1HG       VAL  45  12.440   2.579   0.280
  372   2HG1  VAL  45          2HG       VAL  45  12.276   2.796  -1.475
  373   3HG1  VAL  45          3HG       VAL  45  12.310   4.215  -0.406
  374   1HG2  VAL  45          1HG       VAL  45   8.979   3.538   1.122
  375   2HG2  VAL  45          2HG       VAL  45  10.335   2.614   1.731
  376   3HG2  VAL  45          3HG       VAL  45  10.502   4.360   1.404
  377    H    LEU  46           H        LEU  46   7.972   5.208  -0.183
  378    HA   LEU  46           HA       LEU  46   5.836   3.159  -0.671
  379   1HB   LEU  46          2HB       LEU  46   5.387   5.965   0.276
  380   2HB   LEU  46          3HB       LEU  46   4.384   4.544   0.586
  381    HG   LEU  46           HG       LEU  46   7.024   5.332   1.849
  382   1HD1  LEU  46          1HD       LEU  46   5.798   5.849   3.636
  383   2HD1  LEU  46          2HD       LEU  46   4.349   5.562   2.668
  384   3HD1  LEU  46          3HD       LEU  46   5.048   4.269   3.658
  385   1HD2  LEU  46          1HD       LEU  46   7.420   3.241   2.757
  386   2HD2  LEU  46          2HD       LEU  46   5.808   2.613   2.325
  387   3HD2  LEU  46          3HD       LEU  46   7.004   2.837   1.093
  388    H    ARG  47           H        ARG  47   7.016   5.988  -2.215
  389    HA   ARG  47           HA       ARG  47   4.739   6.197  -4.011
  390   1HB   ARG  47          2HB       ARG  47   6.632   8.014  -3.089
  391   2HB   ARG  47          3HB       ARG  47   7.137   7.649  -4.755
  392   1HG   ARG  47          2HG       ARG  47   4.802   8.157  -5.530
  393   2HG   ARG  47          3HG       ARG  47   4.368   8.566  -3.860
  394   1HD   ARG  47          2HD       ARG  47   4.849  10.598  -5.159
  395   2HD   ARG  47          3HD       ARG  47   6.011  10.407  -3.854
  396    HE   ARG  47           HE       ARG  47   6.478  10.171  -6.750
  397   1HH1  ARG  47          2HH       ARG  47   7.797   9.628  -3.524
  398   2HH1  ARG  47          1HH       ARG  47   9.441   9.485  -4.029
  399   1HH2  ARG  47          2HH       ARG  47   8.701  10.015  -7.460
  400   2HH2  ARG  47          1HH       ARG  47   9.954   9.725  -6.306
  401    H    GLU  48           H        GLU  48   7.894   4.663  -3.857
  402    HA   GLU  48           HA       GLU  48   8.261   4.398  -6.728
  403   1HB   GLU  48          2HB       GLU  48   9.629   3.562  -4.242
  404   2HB   GLU  48          3HB       GLU  48   9.710   2.333  -5.474
  405   1HG   GLU  48          2HG       GLU  48  10.242   5.004  -6.605
  406   2HG   GLU  48          3HG       GLU  48  11.311   4.657  -5.255
  407    H    GLN  49           H        GLN  49   6.272   2.853  -4.395
  408    HA   GLN  49           HA       GLN  49   5.656   0.719  -6.409
  409   1HB   GLN  49          2HB       GLN  49   5.403   0.627  -3.392
  410   2HB   GLN  49          3HB       GLN  49   5.034  -0.682  -4.520
  411   1HG   GLN  49          2HG       GLN  49   7.825   0.543  -4.527
  412   2HG   GLN  49          3HG       GLN  49   7.421  -0.590  -3.280
  413   1HE2  GLN  49          1HE       GLN  49   9.439  -1.182  -4.989
  414   2HE2  GLN  49          2HE       GLN  49   8.941  -2.512  -6.004
  415    H    ALA  50           H        ALA  50   4.599   3.597  -5.288
  416    HA   ALA  50           HA       ALA  50   2.100   3.419  -4.317
  417   1HB   ALA  50          1HB       ALA  50   1.905   5.598  -4.998
  418   2HB   ALA  50          2HB       ALA  50   3.610   5.409  -5.385
  419   3HB   ALA  50          3HB       ALA  50   2.486   5.192  -6.672
  420    H    GLY  51           H        GLY  51   0.020   3.085  -5.192
  421   1HA   GLY  51          2HA       GLY  51  -1.486   1.854  -6.314
  422   2HA   GLY  51          3HA       GLY  51  -0.984   2.836  -7.707
  423    H    GLY  52           H        GLY  52   1.076   0.455  -5.925
  424   1HA   GLY  52          2HA       GLY  52   0.928  -1.477  -8.133
  425   2HA   GLY  52          3HA       GLY  52   2.459  -0.635  -7.763
  426    H    ASP  53           H        ASP  53   2.488  -3.307  -7.574
  427    HA   ASP  53           HA       ASP  53   1.745  -4.205  -4.899
  428   1HB   ASP  53          2HB       ASP  53   2.142  -5.488  -7.364
  429   2HB   ASP  53          3HB       ASP  53   3.555  -5.964  -6.451
  430    H    ALA  54           H        ALA  54   2.947  -3.261  -3.331
  431    HA   ALA  54           HA       ALA  54   5.884  -3.012  -3.717
  432   1HB   ALA  54          1HB       ALA  54   4.023  -1.325  -2.539
  433   2HB   ALA  54          2HB       ALA  54   4.673  -2.117  -1.118
  434   3HB   ALA  54          3HB       ALA  54   5.754  -1.264  -2.180
  435    H    THR  55           H        THR  55   3.708  -5.376  -2.698
  436    HA   THR  55           HA       THR  55   4.585  -6.371  -0.367
  437    HB   THR  55           HB       THR  55   3.929  -7.953  -2.907
  438    HG1  THR  55          1HG       THR  55   2.106  -6.854  -2.745
  439   1HG2  THR  55          1HG       THR  55   4.200  -9.684  -1.444
  440   2HG2  THR  55          2HG       THR  55   4.195  -8.591  -0.041
  441   3HG2  THR  55          3HG       THR  55   2.657  -9.102  -0.794
  442    H    GLU  56           H        GLU  56   6.028  -7.143  -3.587
  443    HA   GLU  56           HA       GLU  56   8.053  -8.826  -2.816
  444   1HB   GLU  56          2HB       GLU  56   8.167  -6.493  -4.776
  445   2HB   GLU  56          3HB       GLU  56   9.452  -7.703  -4.597
  446   1HG   GLU  56          2HG       GLU  56   7.628  -9.482  -4.973
  447   2HG   GLU  56          3HG       GLU  56   6.587  -8.151  -5.499
  448    H    ASN  57           H        ASN  57   8.207  -5.219  -2.635
  449    HA   ASN  57           HA       ASN  57  10.818  -5.114  -1.507
  450   1HB   ASN  57          2HB       ASN  57   8.428  -3.240  -1.517
  451   2HB   ASN  57          3HB       ASN  57   9.785  -2.933  -0.461
  452   1HD2  ASN  57          1HD       ASN  57  11.136  -1.508  -1.301
  453   2HD2  ASN  57          2HD       ASN  57  11.582  -1.406  -3.000
  454    H    PHE  58           H        PHE  58   7.627  -4.712  -0.017
  455    HA   PHE  58           HA       PHE  58   8.348  -4.680   2.689
  456   1HB   PHE  58          2HB       PHE  58   6.037  -4.560   1.633
  457   2HB   PHE  58          3HB       PHE  58   6.041  -6.320   1.604
  458    HD1  PHE  58          1HD       PHE  58   6.312  -7.589   3.843
  459    HD2  PHE  58          2HD       PHE  58   5.307  -3.407   3.551
  460    HE1  PHE  58          1HE       PHE  58   5.462  -7.636   6.151
  461    HE2  PHE  58          2HE       PHE  58   4.429  -3.463   5.879
  462    HZ   PHE  58           HZ       PHE  58   4.493  -5.559   7.176
  463    H    GLU  59           H        GLU  59   8.291  -7.508   0.603
  464    HA   GLU  59           HA       GLU  59   8.776  -9.382   2.809
  465   1HB   GLU  59          2HB       GLU  59   8.045  -9.500  -0.089
  466   2HB   GLU  59          3HB       GLU  59   9.163 -10.752   0.415
  467   1HG   GLU  59          2HG       GLU  59   6.868 -10.247   2.281
  468   2HG   GLU  59          3HG       GLU  59   6.450 -10.919   0.707
  469    H    ASP  60           H        ASP  60  10.523  -7.843   0.156
  470    HA   ASP  60           HA       ASP  60  12.882  -9.302   0.043
  471   1HB   ASP  60          2HB       ASP  60  12.089  -6.478  -0.575
  472   2HB   ASP  60          3HB       ASP  60  13.775  -6.672  -0.200
  473    H    VAL  61           H        VAL  61  12.203  -6.251   1.866
  474    HA   VAL  61           HA       VAL  61  14.637  -6.599   3.310
  475    HB   VAL  61           HB       VAL  61  13.647  -4.384   2.992
  476   1HG1  VAL  61          1HG       VAL  61  11.553  -3.723   3.818
  477   2HG1  VAL  61          2HG       VAL  61  11.233  -5.353   3.239
  478   3HG1  VAL  61          3HG       VAL  61  11.451  -5.088   4.961
  479   1HG2  VAL  61          1HG       VAL  61  14.382  -5.330   5.701
  480   2HG2  VAL  61          2HG       VAL  61  14.885  -3.895   4.822
  481   3HG2  VAL  61          3HG       VAL  61  13.348  -3.902   5.713
  482    H    GLY  62           H        GLY  62  11.220  -7.648   3.706
  483   1HA   GLY  62          2HA       GLY  62  11.103  -9.842   4.833
  484   2HA   GLY  62          3HA       GLY  62  12.201  -9.242   6.074
  485    H    HIS  63           HN       HIS  63  11.451  -6.851   6.775
  486    HA   HIS  63           HA       HIS  63  10.203  -5.853   8.289
  487   1HB   HIS  63          2HB       HIS  63   7.946  -6.795   6.505
  488   2HB   HIS  63          3HB       HIS  63   7.576  -5.993   8.007
  489    HD1  HIS  63           HND      HIS  63   8.791  -5.362   4.574
  490    HD2  HIS  63           HD       HIS  63   7.991  -3.263   8.003
  491    HE1  HIS  63           HE       HIS  63   8.693  -2.945   3.893
  492    H    SER  64           H        SER  64   9.120  -6.127  10.225
  493    HA   SER  64           HA       SER  64   8.784  -8.940  11.051
  494   1HB   SER  64          2HB       SER  64   8.749  -6.400  12.719
  495   2HB   SER  64          3HB       SER  64   8.882  -8.075  13.306
  496    HG   SER  64           HG       SER  64  10.893  -6.742  13.024
  497    H    THR  65           H        THR  65   6.967  -8.883  13.039
  498    HA   THR  65           HA       THR  65   4.487  -8.655  11.609
  499    HB   THR  65           HB       THR  65   5.339  -9.422  14.412
  500    HG1  THR  65          1HG       THR  65   5.718 -10.799  12.545
  501   1HG2  THR  65          1HG       THR  65   3.203  -9.749  15.116
  502   2HG2  THR  65          2HG       THR  65   2.797  -8.452  14.010
  503   3HG2  THR  65          3HG       THR  65   2.600 -10.120  13.476
  504    H    ASP  66           H        ASP  66   6.114  -6.822  14.277
  505    HA   ASP  66           HA       ASP  66   4.126  -5.123  15.048
  506   1HB   ASP  66          2HB       ASP  66   7.045  -5.060  14.934
  507   2HB   ASP  66          3HB       ASP  66   6.415  -3.465  14.571
  508    H    ALA  67           H        ALA  67   5.825  -5.140  11.983
  509    HA   ALA  67           HA       ALA  67   4.848  -2.501  11.098
  510   1HB   ALA  67          1HB       ALA  67   7.472  -3.917  10.874
  511   2HB   ALA  67          2HB       ALA  67   6.981  -4.288   9.674
  512   3HB   ALA  67          3HB       ALA  67   7.976  -2.599   9.742
  513    H    ARG  68           H        ARG  68   4.251  -6.135  10.559
  514    HA   ARG  68           HA       ARG  68   2.350  -5.868   8.506
  515   1HB   ARG  68          2HB       ARG  68   2.700  -7.980  10.687
  516   2HB   ARG  68          3HB       ARG  68   1.398  -8.113   9.545
  517   1HG   ARG  68          2HG       ARG  68   4.304  -7.787   8.723
  518   2HG   ARG  68          3HG       ARG  68   3.461  -9.340   8.845
  519   1HD   ARG  68          2HD       ARG  68   1.761  -7.602   7.298
  520   2HD   ARG  68          3HD       ARG  68   3.359  -7.379   6.697
  521    HE   ARG  68           HE       ARG  68   3.482  -9.544   5.931
  522   1HH1  ARG  68          2HH       ARG  68   0.551  -9.001   7.811
  523   2HH1  ARG  68          1HH       ARG  68  -0.233 -10.469   7.342
  524   1HH2  ARG  68          2HH       ARG  68   2.465 -11.535   5.289
  525   2HH2  ARG  68          1HH       ARG  68   0.892 -11.947   5.869
  526    H    GLU  69           H        GLU  69   2.144  -5.111  11.932
  527    HA   GLU  69           HA       GLU  69  -0.749  -5.331  12.203
  528   1HB   GLU  69          2HB       GLU  69   1.586  -4.723  13.955
  529   2HB   GLU  69          3HB       GLU  69   0.160  -3.731  14.287
  530   1HG   GLU  69          2HG       GLU  69  -1.194  -5.917  14.203
  531   2HG   GLU  69          3HG       GLU  69   0.362  -6.750  14.334
  532    H    LEU  70           H        LEU  70   1.672  -2.536  12.041
  533    HA   LEU  70           HA       LEU  70  -0.172  -0.511  12.163
  534   1HB   LEU  70          2HB       LEU  70   2.485  -0.976  10.877
  535   2HB   LEU  70          3HB       LEU  70   1.590   0.442  10.396
  536    HG   LEU  70           HG       LEU  70   2.037  -0.129  13.308
  537   1HD1  LEU  70          1HD       LEU  70   4.246  -0.423  12.397
  538   2HD1  LEU  70          2HD       LEU  70   4.089   1.025  11.364
  539   3HD1  LEU  70          3HD       LEU  70   4.178   1.186  13.134
  540   1HD2  LEU  70          1HD       LEU  70   2.125   2.389  13.304
  541   2HD2  LEU  70          2HD       LEU  70   1.733   2.328  11.566
  542   3HD2  LEU  70          3HD       LEU  70   0.595   1.667  12.764
  543    H    SER  71           H        SER  71   0.634  -2.722   9.405
  544    HA   SER  71           HA       SER  71  -0.746  -1.346   7.447
  545   1HB   SER  71          2HB       SER  71  -1.080  -4.308   7.740
  546   2HB   SER  71          3HB       SER  71  -0.839  -3.357   6.254
  547    HG   SER  71           HG       SER  71   0.990  -4.575   7.534
  548    H    LYS  72           H        LYS  72  -2.102  -3.175  10.030
  549    HA   LYS  72           HA       LYS  72  -4.780  -3.305   9.105
  550   1HB   LYS  72          2HB       LYS  72  -3.498  -4.456  11.147
  551   2HB   LYS  72          3HB       LYS  72  -4.132  -3.091  12.067
  552   1HG   LYS  72          2HG       LYS  72  -6.266  -3.890  11.998
  553   2HG   LYS  72          3HG       LYS  72  -6.148  -4.361  10.296
  554   1HD   LYS  72          2HD       LYS  72  -4.718  -5.942  12.438
  555   2HD   LYS  72          3HD       LYS  72  -6.420  -6.250  12.053
  556   1HE   LYS  72          2HE       LYS  72  -5.973  -6.960   9.869
  557   2HE   LYS  72          3HE       LYS  72  -4.407  -6.139   9.794
  558   1HZ   LYS  72          1HZ       LYS  72  -4.351  -8.613  10.089
  559   2HZ   LYS  72          2HZ       LYS  72  -3.455  -7.746  11.165
  560   3HZ   LYS  72          3HZ       LYS  72  -4.898  -8.387  11.626
  561    H    THR  73           H        THR  73  -2.971  -0.663  10.165
  562    HA   THR  73           HA       THR  73  -5.323   1.044  10.588
  563    HB   THR  73           HB       THR  73  -3.575   0.839  12.421
  564    HG1  THR  73          1HG       THR  73  -4.052   3.351  11.240
  565   1HG2  THR  73          1HG       THR  73  -1.418   1.253  11.853
  566   2HG2  THR  73          2HG       THR  73  -1.839   1.989  10.298
  567   3HG2  THR  73          3HG       THR  73  -1.886   2.956  11.749
  568    H    PHE  74           H        PHE  74  -4.057   0.087   8.040
  569    HA   PHE  74           HA       PHE  74  -3.777   2.749   6.724
  570   1HB   PHE  74          2HB       PHE  74  -2.002   0.290   6.450
  571   2HB   PHE  74          3HB       PHE  74  -1.982   1.628   5.288
  572    HD1  PHE  74          1HD       PHE  74   0.313   0.420   6.953
  573    HD2  PHE  74          2HD       PHE  74  -2.280   3.842   7.499
  574    HE1  PHE  74          1HE       PHE  74   2.024   1.602   8.342
  575    HE2  PHE  74          2HE       PHE  74  -0.597   4.897   8.927
  576    HZ   PHE  74           HZ       PHE  74   1.516   3.700   9.386
  577    H    ILE  75           H        ILE  75  -4.418  -0.750   6.314
  578    HA   ILE  75           HA       ILE  75  -5.197  -0.767   3.742
  579    HB   ILE  75           HB       ILE  75  -5.321  -2.476   5.911
  580   1HG1  ILE  75          2HG       ILE  75  -6.451  -3.105   3.158
  581   2HG1  ILE  75          3HG       ILE  75  -4.762  -2.858   3.421
  582   1HG2  ILE  75          1HG       ILE  75  -7.620  -1.830   6.425
  583   2HG2  ILE  75          2HG       ILE  75  -8.117  -2.229   4.755
  584   3HG2  ILE  75          3HG       ILE  75  -7.555  -3.500   5.854
  585   1HD1  ILE  75          1HD       ILE  75  -5.104  -4.603   5.452
  586   2HD1  ILE  75          2HD       ILE  75  -6.503  -5.074   4.464
  587   3HD1  ILE  75          3HD       ILE  75  -4.865  -5.110   3.799
  588    H    ILE  76           H        ILE  76  -6.613   0.322   2.609
  589    HA   ILE  76           HA       ILE  76  -8.922   1.587   3.972
  590    HB   ILE  76           HB       ILE  76  -8.928   3.205   2.157
  591   1HG1  ILE  76          2HG       ILE  76  -6.786   3.283   0.664
  592   2HG1  ILE  76          3HG       ILE  76  -6.500   1.634   1.134
  593   1HG2  ILE  76          1HG       ILE  76  -7.155   4.477   2.906
  594   2HG2  ILE  76          2HG       ILE  76  -7.528   3.404   4.283
  595   3HG2  ILE  76          3HG       ILE  76  -6.154   3.047   3.220
  596   1HD1  ILE  76          1HD       ILE  76  -8.449   0.904  -0.003
  597   2HD1  ILE  76          2HD       ILE  76  -9.207   2.540   0.142
  598   3HD1  ILE  76          3HD       ILE  76  -7.889   2.238  -0.973
  599    H    GLY  77           H        GLY  77  -8.326  -1.238   2.517
  600   1HA   GLY  77          2HA       GLY  77 -10.639  -2.301   2.107
  601   2HA   GLY  77          3HA       GLY  77 -10.675  -1.161   0.720
  602    H    GLU  78           H        GLU  78 -10.817  -3.272  -0.545
  603    HA   GLU  78           HA       GLU  78  -8.066  -4.215  -1.115
  604   1HB   GLU  78          2HB       GLU  78 -10.550  -5.985  -0.963
  605   2HB   GLU  78          3HB       GLU  78  -8.935  -6.464  -1.497
  606   1HG   GLU  78          2HG       GLU  78  -8.124  -5.600   0.801
  607   2HG   GLU  78          3HG       GLU  78  -9.807  -5.590   1.284
  608    H    LEU  79           H        LEU  79  -8.338  -5.599  -3.314
  609    HA   LEU  79           HA       LEU  79  -9.884  -3.827  -5.102
  610   1HB   LEU  79          2HB       LEU  79  -8.301  -4.032  -6.730
  611   2HB   LEU  79          3HB       LEU  79  -7.359  -3.810  -5.231
  612    HG   LEU  79           HG       LEU  79  -7.797  -6.362  -6.838
  613   1HD1  LEU  79          1HD       LEU  79  -6.091  -4.424  -7.401
  614   2HD1  LEU  79          2HD       LEU  79  -5.155  -5.199  -6.113
  615   3HD1  LEU  79          3HD       LEU  79  -5.634  -6.126  -7.556
  616   1HD2  LEU  79          1HD       LEU  79  -6.459  -5.914  -4.122
  617   2HD2  LEU  79          2HD       LEU  79  -7.728  -7.092  -4.533
  618   3HD2  LEU  79          3HD       LEU  79  -6.110  -7.325  -5.152
  619    H    HIS  80           H        HIS  80 -10.655  -4.923  -7.116
  620    HA   HIS  80           HA       HIS  80 -12.382  -7.004  -6.533
  621   1HB   HIS  80          2HB       HIS  80 -11.205  -6.186  -9.170
  622   2HB   HIS  80          3HB       HIS  80 -12.485  -7.391  -8.942
  623    HD1  HIS  80           HD1      HIS  80 -14.057  -5.750 -10.407
  624    HD2  HIS  80           HD2      HIS  80 -12.776  -4.327  -6.657
  625    HE1  HIS  80           HE1      HIS  80 -15.602  -3.764  -9.765
  626    HA   PRO  81           HA       PRO  81  -9.232 -10.114  -6.323
  627   1HB   PRO  81          2HB       PRO  81 -10.816 -11.989  -4.851
  628   2HB   PRO  81          3HB       PRO  81  -9.801 -10.704  -4.157
  629   1HG   PRO  81          2HG       PRO  81 -12.750 -10.873  -4.489
  630   2HG   PRO  81          3HG       PRO  81 -11.782  -9.872  -3.362
  631   1HD   PRO  81          2HD       PRO  81 -13.045  -9.051  -5.804
  632   2HD   PRO  81          3HD       PRO  81 -11.965  -8.114  -4.753
  633    H    ASP  82           H        ASP  82  -9.484 -10.291  -8.593
  634    HA   ASP  82           HA       ASP  82  -9.807 -12.748  -9.705
  635   1HB   ASP  82          2HB       ASP  82 -12.507 -11.547  -9.190
  636   2HB   ASP  82          3HB       ASP  82 -12.265 -12.001 -10.844
  637    H    ASP  83           H        ASP  83 -10.462  -9.276 -10.006
  638    HA   ASP  83           HA       ASP  83 -10.337  -9.208 -12.877
  639   1HB   ASP  83          2HB       ASP  83  -9.949  -7.131 -10.689
  640   2HB   ASP  83          3HB       ASP  83  -9.819  -6.759 -12.409
  641    H    ARG  84           H        ARG  84  -8.034  -9.262 -10.252
  642    HA   ARG  84           HA       ARG  84  -5.802  -8.441 -12.014
  643   1HB   ARG  84          2HB       ARG  84  -6.048  -7.761  -9.540
  644   2HB   ARG  84          3HB       ARG  84  -5.687  -9.430  -9.136
  645   1HG   ARG  84          2HG       ARG  84  -3.499  -8.711  -9.131
  646   2HG   ARG  84          3HG       ARG  84  -3.588  -8.867 -10.881
  647   1HD   ARG  84          2HD       ARG  84  -4.155  -6.562 -11.168
  648   2HD   ARG  84          3HD       ARG  84  -4.252  -6.317  -9.408
  649    HE   ARG  84           HE       ARG  84  -1.741  -7.317  -9.727
  650   1HH1  ARG  84          2HH       ARG  84  -3.460  -4.626 -11.199
  651   2HH1  ARG  84          1HH       ARG  84  -2.055  -3.647 -11.456
  652   1HH2  ARG  84          2HH       ARG  84   0.171  -6.036 -10.051
  653   2HH2  ARG  84          1HH       ARG  84   0.058  -4.483 -10.790
  654    H    SER  85           H        SER  85  -7.518 -11.303 -11.174
  655    HA   SER  85           HA       SER  85  -7.066 -13.511 -11.414
  656   1HB   SER  85          2HB       SER  85  -5.334 -12.205 -13.526
  657   2HB   SER  85          3HB       SER  85  -5.158 -13.932 -13.245
  658    HG   SER  85           HG       SER  85  -7.714 -13.621 -13.339
  659    H    LYS  86           H        LYS  86  -5.597 -11.968  -9.342
  660    HA   LYS  86           HA       LYS  86  -3.121 -13.598  -9.113
  661   1HB   LYS  86          2HB       LYS  86  -3.908 -10.866  -8.334
  662   2HB   LYS  86          3HB       LYS  86  -3.149 -11.716  -7.009
  663   1HG   LYS  86          2HG       LYS  86  -1.869 -11.926  -9.743
  664   2HG   LYS  86          3HG       LYS  86  -1.690 -10.427  -8.823
  665   1HD   LYS  86          2HD       LYS  86  -0.935 -11.879  -6.835
  666   2HD   LYS  86          3HD       LYS  86  -0.867 -13.229  -7.980
  667   1HE   LYS  86          2HE       LYS  86   0.538 -11.247  -9.328
  668   2HE   LYS  86          3HE       LYS  86   0.895 -10.840  -7.645
  669   1HZ   LYS  86          1HZ       LYS  86   1.298 -13.449  -7.612
  670   2HZ   LYS  86          2HZ       LYS  86   1.685 -13.154  -9.184
  671   3HZ   LYS  86          3HZ       LYS  86   2.487 -12.372  -7.975
  672    H    LEU  87           H        LEU  87  -5.568 -14.907  -8.881
  673    HA   LEU  87           HA       LEU  87  -5.429 -15.730  -6.030
  674   1HB   LEU  87          2HB       LEU  87  -8.056 -15.162  -7.500
  675   2HB   LEU  87          3HB       LEU  87  -7.857 -15.914  -5.917
  676    HG   LEU  87           HG       LEU  87  -6.676 -13.790  -5.155
  677   1HD1  LEU  87          1HD       LEU  87  -7.935 -11.929  -6.940
  678   2HD1  LEU  87          2HD       LEU  87  -6.218 -12.180  -6.685
  679   3HD1  LEU  87          3HD       LEU  87  -7.107 -13.074  -7.961
  680   1HD2  LEU  87          1HD       LEU  87  -9.198 -14.500  -4.875
  681   2HD2  LEU  87          2HD       LEU  87  -8.675 -12.862  -4.462
  682   3HD2  LEU  87          3HD       LEU  87  -9.487 -13.212  -6.022
  683    H    SER  88           H        SER  88  -7.296 -16.502  -9.007
  684    HA   SER  88           HA       SER  88  -5.999 -19.171  -9.008
  685   1HB   SER  88          2HB       SER  88  -8.416 -18.977  -7.811
  686   2HB   SER  88          3HB       SER  88  -8.963 -19.113  -9.492
  687    HG   SER  88           HG       SER  88  -8.139 -21.040  -7.901
  688    H    LYS  89           H        LYS  89  -8.521 -17.191 -10.654
  689    HA   LYS  89           HA       LYS  89  -8.829 -16.637 -12.825
  690   1HB   LYS  89          2HB       LYS  89  -6.664 -15.650 -12.749
  691   2HB   LYS  89          3HB       LYS  89  -5.862 -17.183 -13.016
  692   1HG   LYS  89          2HG       LYS  89  -7.714 -16.918 -15.184
  693   2HG   LYS  89          3HG       LYS  89  -6.954 -15.360 -15.000
  694   1HD   LYS  89          2HD       LYS  89  -4.701 -16.699 -14.844
  695   2HD   LYS  89          3HD       LYS  89  -5.674 -18.035 -15.506
  696   1HE   LYS  89          2HE       LYS  89  -6.422 -16.252 -17.284
  697   2HE   LYS  89          3HE       LYS  89  -5.024 -15.322 -16.724
  698   1HZ   LYS  89          1HZ       LYS  89  -4.412 -18.057 -17.246
  699   2HZ   LYS  89          2HZ       LYS  89  -4.990 -17.291 -18.580
  700   3HZ   LYS  89          3HZ       LYS  89  -3.661 -16.699 -17.800
  701    HA   PRO  90           HA       PRO  90  -9.493 -20.979 -13.907
  702   1HB   PRO  90          2HB       PRO  90 -12.171 -20.628 -14.669
  703   2HB   PRO  90          3HB       PRO  90 -11.600 -21.041 -13.034
  704   1HG   PRO  90          2HG       PRO  90 -12.636 -18.455 -14.068
  705   2HG   PRO  90          3HG       PRO  90 -12.552 -19.056 -12.385
  706   1HD   PRO  90          2HD       PRO  90 -10.793 -17.200 -13.686
  707   2HD   PRO  90          3HD       PRO  90 -10.626 -17.876 -12.041
  708    H    MET  91           H        MET  91 -10.920 -21.726 -16.020
  709    HA   MET  91           HA       MET  91  -9.338 -20.600 -18.195
  710   1HB   MET  91          2HB       MET  91 -10.519 -23.162 -17.571
  711   2HB   MET  91          3HB       MET  91 -11.325 -22.573 -19.019
  712   1HG   MET  91          2HG       MET  91  -8.625 -21.966 -19.483
  713   2HG   MET  91          3HG       MET  91  -8.580 -23.536 -18.679
  714   1HE   MET  91          1HE       MET  91  -7.543 -24.478 -21.377
  715   2HE   MET  91          2HE       MET  91  -8.302 -23.613 -22.739
  716   3HE   MET  91          3HE       MET  91  -7.573 -22.695 -21.401
  717    H    GLU  92           H        GLU  92 -10.053 -19.015 -19.531
  718    HA   GLU  92           HA       GLU  92 -12.665 -19.010 -20.591
  719   1HB   GLU  92          2HB       GLU  92 -12.946 -18.098 -18.122
  720   2HB   GLU  92          3HB       GLU  92 -12.238 -16.624 -18.749
  721   1HG   GLU  92          2HG       GLU  92 -14.025 -16.300 -20.295
  722   2HG   GLU  92          3HG       GLU  92 -14.551 -17.983 -20.191
  723    H    THR  93           H        THR  93 -12.545 -17.901 -22.516
  724    HA   THR  93           HA       THR  93 -10.193 -16.120 -22.875
  725    HB   THR  93           HB       THR  93 -10.172 -18.299 -24.143
  726    HG1  THR  93          1HG       THR  93  -9.206 -16.245 -24.827
  727   1HG2  THR  93          1HG       THR  93 -11.678 -18.781 -25.892
  728   2HG2  THR  93          2HG       THR  93 -12.777 -18.126 -24.667
  729   3HG2  THR  93          3HG       THR  93 -12.227 -17.102 -26.007
  730    H    LEU  94           H        LEU  94 -10.641 -14.070 -23.313
  731    HA   LEU  94           HA       LEU  94 -11.864 -12.160 -23.558
  732   1HB   LEU  94          2HB       LEU  94 -11.488 -13.094 -25.905
  733   2HB   LEU  94          3HB       LEU  94 -13.108 -13.740 -25.794
  734    HG   LEU  94           HG       LEU  94 -13.513 -11.014 -25.188
  735   1HD1  LEU  94          1HD       LEU  94 -11.618  -9.992 -25.672
  736   2HD1  LEU  94          2HD       LEU  94 -11.056 -11.218 -26.827
  737   3HD1  LEU  94          3HD       LEU  94 -12.273 -10.027 -27.306
  738   1HD2  LEU  94          1HD       LEU  94 -15.089 -11.651 -26.625
  739   2HD2  LEU  94          2HD       LEU  94 -13.982 -11.152 -27.913
  740   3HD2  LEU  94          3HD       LEU  94 -14.072 -12.847 -27.436
  741    HHA  HEM  95          MHG       HEM  95  11.848  -0.922   8.748
  742    HHB  HEM  95          MHD       HEM  95   5.528  -0.318   9.737
  743    HHC  HEM  95          MHA       HEM  95   4.712  -0.750   3.370
  744    HHD  HEM  95          MHB       HEM  95  10.959  -0.247   2.467
  745   1HMA  HEM  95          1HM       HEM  95   8.078  -1.055  12.510
  746   2HMA  HEM  95          2HM       HEM  95   6.871   0.118  11.927
  747   3HMA  HEM  95          3HM       HEM  95   6.691  -1.580  11.612
  748   1HAA  HEM  95          1HP       HEM  95  11.006  -2.112  10.969
  749   2HAA  HEM  95          2HP       HEM  95  10.206  -1.133  12.185
  750   1HBA  HEM  95          3HP       HEM  95  11.707   0.528  12.045
  751   2HBA  HEM  95          4HP       HEM  95  11.554   0.591  10.315
  752   1HMB  HEM  95          1HM       HEM  95   2.149  -0.514   8.000
  753   2HMB  HEM  95          2HM       HEM  95   3.269  -1.476   8.952
  754   3HMB  HEM  95          3HM       HEM  95   3.377   0.260   9.096
  755    HAB  HEM  95          AHT       HEM  95   3.018  -1.299   4.202
  756   1HBB  HEM  95          CHV       HEM  95   2.304  -2.862   5.697
  757   2HBB  HEM  95          THV       HEM  95   1.030  -1.949   4.818
  758   1HMC  HEM  95          1HM       HEM  95   5.077  -1.466   1.455
  759   2HMC  HEM  95          2HM       HEM  95   5.541   0.029   0.627
  760   3HMC  HEM  95          3HM       HEM  95   6.279  -1.566   0.218
  761    HAC  HEM  95          AHT       HEM  95  10.088  -0.137   0.558
  762   1HBC  HEM  95          THV       HEM  95   9.058   0.362  -1.399
  763   2HBC  HEM  95          CHV       HEM  95   7.398  -0.017  -0.716
  764   1HMD  HEM  95          1HM       HEM  95  13.521   1.052   3.615
  765   2HMD  HEM  95          2HM       HEM  95  14.282  -0.532   3.974
  766   3HMD  HEM  95          3HM       HEM  95  13.023  -0.412   2.772
  767   1HAD  HEM  95          1HP       HEM  95  14.267  -1.229   6.938
  768   2HAD  HEM  95          2HP       HEM  95  13.577   0.004   7.976
  769   1HBD  HEM  95          3HP       HEM  95  14.607   1.759   7.014
  770   2HBD  HEM  95          4HP       HEM  95  14.769   1.010   5.438
  Start of MODEL   26
    1   1H    ASP   1           H1       ASP   1 -18.354  -9.352   9.340
    2   2H    ASP   1           H2       ASP   1 -16.953  -8.851   8.661
    3   3H    ASP   1           H3       ASP   1 -17.496  -8.114  10.043
    4    HA   ASP   1           HA       ASP   1 -17.889  -6.725   8.136
    5   1HB   ASP   1          2HB       ASP   1 -20.259  -6.317   8.437
    6   2HB   ASP   1          3HB       ASP   1 -20.498  -7.935   9.128
    7    H    LYS   2           H        LYS   2 -19.431  -6.568   6.082
    8    HA   LYS   2           HA       LYS   2 -19.303  -9.203   4.713
    9   1HB   LYS   2          2HB       LYS   2 -21.634  -8.861   5.655
   10   2HB   LYS   2          3HB       LYS   2 -21.762  -7.402   4.670
   11   1HG   LYS   2          2HG       LYS   2 -21.080  -8.999   2.679
   12   2HG   LYS   2          3HG       LYS   2 -21.536 -10.305   3.773
   13   1HD   LYS   2          2HD       LYS   2 -23.452  -8.002   3.322
   14   2HD   LYS   2          3HD       LYS   2 -23.250  -9.213   2.051
   15   1HE   LYS   2          2HE       LYS   2 -23.930 -11.009   3.477
   16   2HE   LYS   2          3HE       LYS   2 -23.903  -9.978   4.918
   17   1HZ   LYS   2          1HZ       LYS   2 -25.725  -8.730   4.020
   18   2HZ   LYS   2          2HZ       LYS   2 -25.717  -9.592   2.618
   19   3HZ   LYS   2          3HZ       LYS   2 -26.140 -10.323   4.030
   20    H    ASP   3           H        ASP   3 -20.525  -5.863   4.008
   21    HA   ASP   3           HA       ASP   3 -18.888  -5.731   1.592
   22   1HB   ASP   3          2HB       ASP   3 -19.788  -3.437   1.452
   23   2HB   ASP   3          3HB       ASP   3 -21.064  -4.646   1.572
   24    H    VAL   4           H        VAL   4 -17.188  -4.068   1.386
   25    HA   VAL   4           HA       VAL   4 -16.073  -2.883   3.740
   26    HB   VAL   4           HB       VAL   4 -14.292  -4.562   1.937
   27   1HG1  VAL   4          1HG       VAL   4 -13.702  -3.839   4.799
   28   2HG1  VAL   4          2HG       VAL   4 -12.593  -4.024   3.424
   29   3HG1  VAL   4          3HG       VAL   4 -13.586  -2.556   3.610
   30   1HG2  VAL   4          1HG       VAL   4 -15.437  -5.436   4.624
   31   2HG2  VAL   4          2HG       VAL   4 -15.694  -6.233   3.060
   32   3HG2  VAL   4          3HG       VAL   4 -14.082  -6.219   3.777
   33    H    LYS   5           H        LYS   5 -13.741  -2.516   1.671
   34    HA   LYS   5           HA       LYS   5 -15.059  -0.182   0.438
   35   1HB   LYS   5          2HB       LYS   5 -12.718  -0.245   1.644
   36   2HB   LYS   5          3HB       LYS   5 -12.184  -0.760   0.030
   37   1HG   LYS   5          2HG       LYS   5 -11.929   1.523  -0.042
   38   2HG   LYS   5          3HG       LYS   5 -13.439   1.255  -0.906
   39   1HD   LYS   5          2HD       LYS   5 -14.477   2.677   0.485
   40   2HD   LYS   5          3HD       LYS   5 -14.122   1.634   1.862
   41   1HE   LYS   5          2HE       LYS   5 -11.786   3.227   0.952
   42   2HE   LYS   5          3HE       LYS   5 -13.163   4.233   1.420
   43   1HZ   LYS   5          1HZ       LYS   5 -11.797   3.829   3.298
   44   2HZ   LYS   5          2HZ       LYS   5 -13.186   2.976   3.527
   45   3HZ   LYS   5          3HZ       LYS   5 -11.799   2.197   3.050
   46    H    TYR   6           H        TYR   6 -13.114  -2.937  -0.586
   47    HA   TYR   6           HA       TYR   6 -12.372  -3.698  -2.538
   48   1HB   TYR   6          2HB       TYR   6 -15.350  -3.654  -3.033
   49   2HB   TYR   6          3HB       TYR   6 -14.160  -4.675  -3.850
   50    HD1  TYR   6           HD1      TYR   6 -12.514  -6.001  -2.250
   51    HD2  TYR   6           HD2      TYR   6 -16.490  -4.702  -1.208
   52    HE1  TYR   6           HE1      TYR   6 -12.543  -7.617  -0.373
   53    HE2  TYR   6           HE2      TYR   6 -16.544  -6.392   0.644
   54    HH   TYR   6           HH       TYR   6 -13.575  -8.125   1.600
   55    H    TYR   7           H        TYR   7 -11.006  -2.494  -3.923
   56    HA   TYR   7           HA       TYR   7 -12.374  -0.621  -5.705
   57   1HB   TYR   7          2HB       TYR   7  -9.766  -0.631  -4.151
   58   2HB   TYR   7          3HB       TYR   7  -9.858   0.200  -5.640
   59    HD1  TYR   7           HD1      TYR   7  -9.746   0.987  -2.431
   60    HD2  TYR   7           HD2      TYR   7 -12.569   1.471  -5.663
   61    HE1  TYR   7           HE1      TYR   7 -10.720   2.971  -1.320
   62    HE2  TYR   7           HE2      TYR   7 -13.527   3.429  -4.551
   63    HH   TYR   7           HH       TYR   7 -12.136   4.842  -1.615
   64    H    THR   8           H        THR   8 -11.380  -0.367  -7.810
   65    HA   THR   8           HA       THR   8 -10.686  -3.000  -8.931
   66    HB   THR   8           HB       THR   8 -11.308  -1.733 -11.051
   67    HG1  THR   8          1HG       THR   8 -12.354   0.296 -10.661
   68   1HG2  THR   8          1HG       THR   8 -13.003  -3.085  -9.804
   69   2HG2  THR   8          2HG       THR   8 -13.423  -1.654  -8.838
   70   3HG2  THR   8          3HG       THR   8 -13.728  -1.666 -10.585
   71    H    LEU   9           H        LEU   9  -8.816  -3.137 -10.376
   72    HA   LEU   9           HA       LEU   9  -6.533  -1.946  -9.366
   73   1HB   LEU   9          2HB       LEU   9  -6.853  -2.901 -12.235
   74   2HB   LEU   9          3HB       LEU   9  -5.361  -2.722 -11.327
   75    HG   LEU   9           HG       LEU   9  -5.789  -5.001 -11.370
   76   1HD1  LEU   9          1HD       LEU   9  -6.820  -4.095  -8.651
   77   2HD1  LEU   9          2HD       LEU   9  -6.057  -5.649  -9.041
   78   3HD1  LEU   9          3HD       LEU   9  -5.108  -4.155  -9.138
   79   1HD2  LEU   9          1HD       LEU   9  -7.776  -6.123 -11.196
   80   2HD2  LEU   9          2HD       LEU   9  -8.498  -4.976 -10.083
   81   3HD2  LEU   9          3HD       LEU   9  -8.383  -4.608 -11.837
   82    H    GLU  10           H        GLU  10  -8.588  -0.720 -11.998
   83    HA   GLU  10           HA       GLU  10  -6.847   1.371 -12.853
   84   1HB   GLU  10          2HB       GLU  10  -9.695   0.624 -13.208
   85   2HB   GLU  10          3HB       GLU  10  -9.432   2.373 -13.166
   86   1HG   GLU  10          2HG       GLU  10  -7.578   2.093 -14.847
   87   2HG   GLU  10          3HG       GLU  10  -8.036   0.389 -15.002
   88    H    GLU  11           H        GLU  11  -9.282   1.233 -10.201
   89    HA   GLU  11           HA       GLU  11  -9.166   4.006  -9.568
   90   1HB   GLU  11          2HB       GLU  11 -10.919   2.338  -8.775
   91   2HB   GLU  11          3HB       GLU  11  -9.696   1.656  -7.698
   92   1HG   GLU  11          2HG       GLU  11 -10.792   3.110  -6.298
   93   2HG   GLU  11          3HG       GLU  11  -9.420   4.068  -6.775
   94    H    ILE  12           H        ILE  12  -7.376   1.148  -8.157
   95    HA   ILE  12           HA       ILE  12  -5.854   2.631  -6.349
   96    HB   ILE  12           HB       ILE  12  -5.230   0.125  -7.944
   97   1HG1  ILE  12          2HG       ILE  12  -5.588  -0.129  -5.067
   98   2HG1  ILE  12          3HG       ILE  12  -6.935   0.719  -5.745
   99   1HG2  ILE  12          1HG       ILE  12  -3.097   0.837  -7.268
  100   2HG2  ILE  12          2HG       ILE  12  -3.699   1.431  -5.677
  101   3HG2  ILE  12          3HG       ILE  12  -3.578  -0.313  -6.023
  102   1HD1  ILE  12          1HD       ILE  12  -5.885  -1.913  -6.906
  103   2HD1  ILE  12          2HD       ILE  12  -7.177  -1.855  -5.694
  104   3HD1  ILE  12          3HD       ILE  12  -7.424  -1.114  -7.251
  105    H    LYS  13           H        LYS  13  -5.294   2.083  -9.814
  106    HA   LYS  13           HA       LYS  13  -2.725   3.473  -9.845
  107   1HB   LYS  13          2HB       LYS  13  -4.594   2.492 -12.028
  108   2HB   LYS  13          3HB       LYS  13  -2.965   3.115 -12.332
  109   1HG   LYS  13          2HG       LYS  13  -1.898   1.288 -11.291
  110   2HG   LYS  13          3HG       LYS  13  -3.292   0.883 -10.308
  111   1HD   LYS  13          2HD       LYS  13  -3.503  -0.818 -11.766
  112   2HD   LYS  13          3HD       LYS  13  -4.429   0.371 -12.667
  113   1HE   LYS  13          2HE       LYS  13  -3.062  -0.178 -14.380
  114   2HE   LYS  13          3HE       LYS  13  -1.926   0.936 -13.601
  115   1HZ   LYS  13          1HZ       LYS  13  -0.903  -1.191 -14.072
  116   2HZ   LYS  13          2HZ       LYS  13  -0.992  -0.982 -12.437
  117   3HZ   LYS  13          3HZ       LYS  13  -2.042  -1.992 -13.201
  118    H    LYS  14           H        LYS  14  -5.451   4.872  -9.062
  119    HA   LYS  14           HA       LYS  14  -4.847   7.405 -10.483
  120   1HB   LYS  14          2HB       LYS  14  -7.489   6.017 -10.040
  121   2HB   LYS  14          3HB       LYS  14  -7.452   7.745  -9.751
  122   1HG   LYS  14          2HG       LYS  14  -8.055   7.642 -11.979
  123   2HG   LYS  14          3HG       LYS  14  -6.326   7.992 -12.044
  124   1HD   LYS  14          2HD       LYS  14  -6.082   5.373 -12.224
  125   2HD   LYS  14          3HD       LYS  14  -7.785   5.397 -12.656
  126   1HE   LYS  14          2HE       LYS  14  -5.589   7.029 -14.012
  127   2HE   LYS  14          3HE       LYS  14  -6.143   5.452 -14.591
  128   1HZ   LYS  14          1HZ       LYS  14  -7.883   7.815 -14.314
  129   2HZ   LYS  14          2HZ       LYS  14  -7.215   7.299 -15.730
  130   3HZ   LYS  14          3HZ       LYS  14  -8.307   6.351 -14.947
  131    H    HIS  15           H        HIS  15  -4.184   5.945  -7.676
  132    HA   HIS  15           HA       HIS  15  -4.662   8.456  -6.124
  133   1HB   HIS  15          2HB       HIS  15  -4.923   5.604  -5.210
  134   2HB   HIS  15          3HB       HIS  15  -4.933   6.995  -4.117
  135    HD1  HIS  15           HD1      HIS  15  -7.003   8.909  -4.834
  136    HD2  HIS  15           HD2      HIS  15  -7.288   4.878  -5.994
  137    HE1  HIS  15           HE1      HIS  15  -9.471   8.462  -5.357
  138    H    ASN  16           H        ASN  16  -2.525   7.999  -7.656
  139    HA   ASN  16           HA       ASN  16  -0.266   7.678  -5.727
  140   1HB   ASN  16          2HB       ASN  16   1.068   7.253  -7.897
  141   2HB   ASN  16          3HB       ASN  16  -0.028   5.992  -7.334
  142   1HD2  ASN  16          1HD       ASN  16   0.102   8.739  -9.677
  143   2HD2  ASN  16          2HD       ASN  16  -1.000   7.950 -10.813
  144    H    HIS  17           H        HIS  17  -0.742   9.909  -5.058
  145    HA   HIS  17           HA       HIS  17   0.553  11.945  -6.746
  146   1HB   HIS  17          2HB       HIS  17  -2.115  12.332  -5.353
  147   2HB   HIS  17          3HB       HIS  17  -1.259  13.528  -6.328
  148    HD1  HIS  17           HD1      HIS  17  -1.111  12.878  -9.059
  149    HD2  HIS  17           HD2      HIS  17  -3.690  10.625  -6.607
  150    HE1  HIS  17           HE1      HIS  17  -2.657  11.570 -10.617
  151    H    SER  18           H        SER  18   0.768  14.045  -5.254
  152    HA   SER  18           HA       SER  18   2.332  13.276  -3.045
  153   1HB   SER  18          2HB       SER  18   2.309  15.441  -4.486
  154   2HB   SER  18          3HB       SER  18   1.085  16.023  -3.346
  155    HG   SER  18           HG       SER  18   3.698  15.116  -2.654
  156    H    LYS  19           H        LYS  19  -1.140  13.560  -3.138
  157    HA   LYS  19           HA       LYS  19  -1.235  13.645  -0.168
  158   1HB   LYS  19          2HB       LYS  19  -2.810  14.999  -2.337
  159   2HB   LYS  19          3HB       LYS  19  -3.740  14.352  -1.018
  160   1HG   LYS  19          2HG       LYS  19  -1.793  15.625   0.437
  161   2HG   LYS  19          3HG       LYS  19  -1.780  16.610  -1.034
  162   1HD   LYS  19          2HD       LYS  19  -3.385  17.608   0.455
  163   2HD   LYS  19          3HD       LYS  19  -4.331  16.756  -0.785
  164   1HE   LYS  19          2HE       LYS  19  -4.281  14.732   0.872
  165   2HE   LYS  19          3HE       LYS  19  -3.694  15.885   2.071
  166   1HZ   LYS  19          1HZ       LYS  19  -6.259  16.035   0.616
  167   2HZ   LYS  19          2HZ       LYS  19  -6.061  15.641   2.197
  168   3HZ   LYS  19          3HZ       LYS  19  -5.726  17.170   1.687
  169    H    SER  20           H        SER  20  -1.273  11.325  -2.447
  170    HA   SER  20           HA       SER  20  -2.887   9.571  -0.776
  171   1HB   SER  20          2HB       SER  20  -3.503  10.022  -3.737
  172   2HB   SER  20          3HB       SER  20  -3.994   8.581  -2.834
  173    HG   SER  20           HG       SER  20  -5.430   9.728  -1.728
  174    H    THR  21           H        THR  21  -1.376   7.888  -0.493
  175    HA   THR  21           HA       THR  21   0.189   7.108  -2.890
  176    HB   THR  21           HB       THR  21   1.158   7.605  -0.065
  177    HG1  THR  21          1HG       THR  21   2.794   8.620  -1.491
  178   1HG2  THR  21          1HG       THR  21   3.363   6.631  -1.080
  179   2HG2  THR  21          2HG       THR  21   2.164   5.563  -0.363
  180   3HG2  THR  21          3HG       THR  21   2.261   5.711  -2.141
  181    H    TRP  22           H        TRP  22  -1.713   5.798  -3.201
  182    HA   TRP  22           HA       TRP  22  -2.138   3.668  -1.216
  183   1HB   TRP  22          2HB       TRP  22  -3.177   4.133  -4.030
  184   2HB   TRP  22          3HB       TRP  22  -3.571   2.712  -3.063
  185    HD1  TRP  22           HD1      TRP  22  -3.536   5.762  -0.940
  186    HE1  TRP  22           HE1      TRP  22  -5.869   6.442  -0.323
  187    HE3  TRP  22           HE3      TRP  22  -6.018   2.728  -4.169
  188    HZ2  TRP  22           HZ2      TRP  22  -8.576   6.088  -1.531
  189    HZ3  TRP  22           HZ3      TRP  22  -8.448   2.939  -4.498
  190    HH2  TRP  22           HH2      TRP  22  -9.735   4.681  -3.243
  191    H    LEU  23           H        LEU  23  -1.889   1.391  -2.045
  192    HA   LEU  23           HA       LEU  23  -0.388   0.824  -4.383
  193   1HB   LEU  23          2HB       LEU  23   1.667  -0.096  -3.265
  194   2HB   LEU  23          3HB       LEU  23   1.552   1.636  -3.280
  195    HG   LEU  23           HG       LEU  23   0.531   1.375  -0.821
  196   1HD1  LEU  23          1HD       LEU  23   1.626  -0.555   0.305
  197   2HD1  LEU  23          2HD       LEU  23   0.340  -1.055  -0.804
  198   3HD1  LEU  23          3HD       LEU  23   2.040  -1.199  -1.306
  199   1HD2  LEU  23          1HD       LEU  23   2.924   1.317   0.010
  200   2HD2  LEU  23          2HD       LEU  23   3.446   0.973  -1.640
  201   3HD2  LEU  23          3HD       LEU  23   2.633   2.504  -1.273
  202    H    ILE  24           H        ILE  24   0.340  -1.625  -4.163
  203    HA   ILE  24           HA       ILE  24  -1.981  -3.043  -2.979
  204    HB   ILE  24           HB       ILE  24  -0.193  -3.721  -5.380
  205   1HG1  ILE  24          2HG       ILE  24  -3.141  -2.986  -5.341
  206   2HG1  ILE  24          3HG       ILE  24  -1.851  -1.854  -5.748
  207   1HG2  ILE  24          1HG       ILE  24  -1.272  -5.663  -3.899
  208   2HG2  ILE  24          2HG       ILE  24  -2.749  -5.209  -4.767
  209   3HG2  ILE  24          3HG       ILE  24  -1.299  -5.738  -5.654
  210   1HD1  ILE  24          1HD       ILE  24  -3.032  -2.941  -7.720
  211   2HD1  ILE  24          2HD       ILE  24  -1.258  -2.998  -7.726
  212   3HD1  ILE  24          3HD       ILE  24  -2.196  -4.444  -7.295
  213    H    LEU  25           H        LEU  25  -0.950  -3.498  -0.931
  214    HA   LEU  25           HA       LEU  25   1.493  -5.191  -1.113
  215   1HB   LEU  25          2HB       LEU  25   0.074  -3.841   1.189
  216   2HB   LEU  25          3HB       LEU  25   1.047  -5.274   1.485
  217    HG   LEU  25           HG       LEU  25   2.058  -2.799   0.079
  218   1HD1  LEU  25          1HD       LEU  25   1.443  -2.303   2.402
  219   2HD1  LEU  25          2HD       LEU  25   2.482  -3.661   2.943
  220   3HD1  LEU  25          3HD       LEU  25   3.204  -2.245   2.140
  221   1HD2  LEU  25          1HD       LEU  25   3.343  -4.660  -0.496
  222   2HD2  LEU  25          2HD       LEU  25   4.275  -3.699   0.624
  223   3HD2  LEU  25          3HD       LEU  25   3.494  -5.209   1.198
  224    H    HIS  26           H        HIS  26   1.249  -7.266  -1.151
  225    HA   HIS  26           HA       HIS  26   0.254  -9.247  -1.564
  226   1HB   HIS  26          2HB       HIS  26  -0.777  -8.707   1.232
  227   2HB   HIS  26          3HB       HIS  26  -0.464 -10.279   0.493
  228    HD1  HIS  26           HD1      HIS  26   2.121 -11.100   0.523
  229    HD2  HIS  26           HD2      HIS  26   1.313  -7.297   2.136
  230    HE1  HIS  26           HE1      HIS  26   4.147 -10.443   1.911
  231    H    HIS  27           H        HIS  27  -1.206  -8.297  -3.208
  232    HA   HIS  27           HA       HIS  27  -3.212  -7.695  -4.114
  233   1HB   HIS  27          2HB       HIS  27  -4.734  -9.709  -4.154
  234   2HB   HIS  27          3HB       HIS  27  -3.056  -9.980  -4.602
  235    HD1  HIS  27           HD1      HIS  27  -1.719 -11.750  -3.200
  236    HD2  HIS  27           HD2      HIS  27  -5.400 -10.580  -1.530
  237    HE1  HIS  27           HE1      HIS  27  -2.135 -13.283  -1.191
  238    H    LYS  28           H        LYS  28  -3.131  -6.263  -1.767
  239    HA   LYS  28           HA       LYS  28  -6.026  -5.928  -1.382
  240   1HB   LYS  28          2HB       LYS  28  -3.942  -6.371   0.738
  241   2HB   LYS  28          3HB       LYS  28  -5.081  -5.058   1.030
  242   1HG   LYS  28          2HG       LYS  28  -6.405  -6.613   1.904
  243   2HG   LYS  28          3HG       LYS  28  -6.804  -7.060   0.243
  244   1HD   LYS  28          2HD       LYS  28  -5.063  -8.816   0.297
  245   2HD   LYS  28          3HD       LYS  28  -4.587  -8.287   1.935
  246   1HE   LYS  28          2HE       LYS  28  -7.141  -8.575   2.482
  247   2HE   LYS  28          3HE       LYS  28  -7.208  -9.536   1.016
  248   1HZ   LYS  28          1HZ       LYS  28  -6.823 -10.888   2.934
  249   2HZ   LYS  28          2HZ       LYS  28  -5.469 -10.947   1.981
  250   3HZ   LYS  28          3HZ       LYS  28  -5.482 -10.033   3.358
  251    H    VAL  29           H        VAL  29  -6.151  -3.463  -0.179
  252    HA   VAL  29           HA       VAL  29  -4.344  -1.782  -1.812
  253    HB   VAL  29           HB       VAL  29  -7.262  -1.802  -1.175
  254   1HG1  VAL  29          1HG       VAL  29  -6.831   0.298  -0.601
  255   2HG1  VAL  29          2HG       VAL  29  -5.628   0.606  -1.886
  256   3HG1  VAL  29          3HG       VAL  29  -7.379   0.512  -2.247
  257   1HG2  VAL  29          1HG       VAL  29  -5.786  -1.964  -3.690
  258   2HG2  VAL  29          2HG       VAL  29  -7.317  -2.726  -3.124
  259   3HG2  VAL  29          3HG       VAL  29  -7.331  -1.055  -3.654
  260    H    TYR  30           H        TYR  30  -2.996  -0.655  -0.479
  261    HA   TYR  30           HA       TYR  30  -3.870  -0.029   2.262
  262   1HB   TYR  30          2HB       TYR  30  -1.256  -0.784   0.915
  263   2HB   TYR  30          3HB       TYR  30  -1.319   0.021   2.454
  264    HD1  TYR  30           HD1      TYR  30  -2.296  -3.113   0.657
  265    HD2  TYR  30           HD2      TYR  30  -1.945  -1.161   4.468
  266    HE1  TYR  30           HE1      TYR  30  -2.407  -5.308   1.790
  267    HE2  TYR  30           HE2      TYR  30  -2.217  -3.369   5.599
  268    HH   TYR  30           HH       TYR  30  -2.318  -6.437   3.837
  269    H    ASP  31           H        ASP  31  -3.220   2.106   2.997
  270    HA   ASP  31           HA       ASP  31  -2.442   4.013   0.860
  271   1HB   ASP  31          2HB       ASP  31  -4.874   4.142   1.488
  272   2HB   ASP  31          3HB       ASP  31  -4.393   4.600   3.118
  273    H    LEU  32           H        LEU  32  -0.455   4.587   1.383
  274    HA   LEU  32           HA       LEU  32   0.287   4.737   4.267
  275   1HB   LEU  32          2HB       LEU  32   2.187   4.672   1.914
  276   2HB   LEU  32          3HB       LEU  32   2.525   4.395   3.621
  277    HG   LEU  32           HG       LEU  32   1.077   2.561   1.670
  278   1HD1  LEU  32          1HD       LEU  32   2.891   1.030   2.313
  279   2HD1  LEU  32          2HD       LEU  32   3.568   2.587   1.770
  280   3HD1  LEU  32          3HD       LEU  32   3.492   2.200   3.501
  281   1HD2  LEU  32          1HD       LEU  32   0.788   0.972   3.559
  282   2HD2  LEU  32          2HD       LEU  32   1.315   2.257   4.689
  283   3HD2  LEU  32          3HD       LEU  32  -0.203   2.401   3.795
  284    H    THR  33           H        THR  33  -0.978   6.817   2.103
  285    HA   THR  33           HA       THR  33   0.863   8.919   1.834
  286    HB   THR  33           HB       THR  33  -1.809   8.553   1.242
  287    HG1  THR  33          1HG       THR  33  -0.036   9.687   0.098
  288   1HG2  THR  33          1HG       THR  33  -2.889  10.608   1.877
  289   2HG2  THR  33          2HG       THR  33  -2.571   9.563   3.266
  290   3HG2  THR  33          3HG       THR  33  -1.508  10.980   2.942
  291    H    LYS  34           H        LYS  34  -1.314   8.293   4.590
  292    HA   LYS  34           HA       LYS  34  -0.342  10.649   5.996
  293   1HB   LYS  34          2HB       LYS  34  -2.643   9.068   6.090
  294   2HB   LYS  34          3HB       LYS  34  -1.832   8.628   7.588
  295   1HG   LYS  34          2HG       LYS  34  -2.317  11.516   6.712
  296   2HG   LYS  34          3HG       LYS  34  -3.491  10.580   7.642
  297   1HD   LYS  34          2HD       LYS  34  -1.784  10.208   9.422
  298   2HD   LYS  34          3HD       LYS  34  -0.662  11.266   8.537
  299   1HE   LYS  34          2HE       LYS  34  -2.206  13.144   8.724
  300   2HE   LYS  34          3HE       LYS  34  -3.415  12.116   9.512
  301   1HZ   LYS  34          1HZ       LYS  34  -0.719  12.656  10.603
  302   2HZ   LYS  34          2HZ       LYS  34  -2.104  13.411  11.100
  303   3HZ   LYS  34          3HZ       LYS  34  -1.893  11.792  11.335
  304    H    PHE  35           H        PHE  35   1.109   7.744   5.414
  305    HA   PHE  35           HA       PHE  35   2.511   7.598   8.006
  306   1HB   PHE  35          2HB       PHE  35   1.147   5.683   7.225
  307   2HB   PHE  35          3HB       PHE  35   2.113   5.578   5.777
  308    HD1  PHE  35          1HD       PHE  35   3.035   5.932   9.444
  309    HD2  PHE  35          2HD       PHE  35   3.433   3.688   5.779
  310    HE1  PHE  35          1HE       PHE  35   4.639   4.413  10.545
  311    HE2  PHE  35          2HE       PHE  35   5.003   2.159   6.880
  312    HZ   PHE  35           HZ       PHE  35   5.661   2.526   9.266
  313    H    LEU  36           H        LEU  36   2.806   8.550   4.766
  314    HA   LEU  36           HA       LEU  36   5.508   8.033   4.092
  315   1HB   LEU  36          2HB       LEU  36   3.704  10.479   3.659
  316   2HB   LEU  36          3HB       LEU  36   5.318  10.374   2.938
  317    HG   LEU  36           HG       LEU  36   3.018   8.475   2.422
  318   1HD1  LEU  36          1HD       LEU  36   2.538  10.789   1.688
  319   2HD1  LEU  36          2HD       LEU  36   4.038  10.790   0.745
  320   3HD1  LEU  36          3HD       LEU  36   2.713   9.685   0.322
  321   1HD2  LEU  36          1HD       LEU  36   5.296   8.810   0.499
  322   2HD2  LEU  36          2HD       LEU  36   5.567   7.823   1.933
  323   3HD2  LEU  36          3HD       LEU  36   4.244   7.413   0.829
  324    H    GLU  37           H        GLU  37   4.649  11.114   5.690
  325    HA   GLU  37           HA       GLU  37   7.440  11.300   6.475
  326   1HB   GLU  37          2HB       GLU  37   5.012  13.009   7.126
  327   2HB   GLU  37          3HB       GLU  37   6.691  13.416   7.548
  328   1HG   GLU  37          2HG       GLU  37   7.325  13.334   5.150
  329   2HG   GLU  37          3HG       GLU  37   5.658  12.962   4.708
  330    H    GLU  38           H        GLU  38   5.707   8.970   7.563
  331    HA   GLU  38           HA       GLU  38   6.435   9.298  10.404
  332   1HB   GLU  38          2HB       GLU  38   3.715   8.869   9.251
  333   2HB   GLU  38          3HB       GLU  38   4.141   7.830  10.608
  334   1HG   GLU  38          2HG       GLU  38   4.842   9.934  11.866
  335   2HG   GLU  38          3HG       GLU  38   4.101  10.869  10.563
  336    H    HIS  39           HN       HIS  39   6.983   7.435   7.615
  337    HA   HIS  39           HA       HIS  39   6.873   4.877   8.956
  338   1HB   HIS  39          2HB       HIS  39   6.221   4.935   6.649
  339   2HB   HIS  39          3HB       HIS  39   7.664   5.804   6.195
  340    HD1  HIS  39           HND      HIS  39   9.037   4.378   4.754
  341    HD2  HIS  39           HD       HIS  39   7.167   2.147   7.756
  342    HE1  HIS  39           HE       HIS  39   9.690   2.002   4.353
  343    HA   PRO  40           HA       PRO  40  11.152   5.449  10.212
  344   1HB   PRO  40          2HB       PRO  40  11.537   3.146  11.630
  345   2HB   PRO  40          3HB       PRO  40  10.483   4.466  12.229
  346   1HG   PRO  40          2HG       PRO  40   9.658   1.966  10.737
  347   2HG   PRO  40          3HG       PRO  40   8.959   2.619  12.253
  348   1HD   PRO  40          2HD       PRO  40   7.866   3.083   9.795
  349   2HD   PRO  40          3HD       PRO  40   7.823   4.325  11.084
  350    H    GLY  41           H        GLY  41  11.837   5.442   8.044
  351   1HA   GLY  41          2HA       GLY  41  13.838   3.685   7.404
  352   2HA   GLY  41          3HA       GLY  41  12.407   2.985   6.613
  353    H    GLY  42           H        GLY  42  11.100   4.564   5.238
  354   1HA   GLY  42          2HA       GLY  42  12.416   6.957   4.340
  355   2HA   GLY  42          3HA       GLY  42  12.576   5.671   3.131
  356    H    GLU  43           H        GLU  43  10.827   8.314   3.506
  357    HA   GLU  43           HA       GLU  43   8.221   7.230   2.857
  358   1HB   GLU  43          2HB       GLU  43   7.643   9.476   2.264
  359   2HB   GLU  43          3HB       GLU  43   8.508   9.441   3.796
  360   1HG   GLU  43          2HG       GLU  43  10.342   9.924   1.537
  361   2HG   GLU  43          3HG       GLU  43   9.045  11.109   1.601
  362    H    GLU  44           H        GLU  44  11.034   8.026   0.918
  363    HA   GLU  44           HA       GLU  44   9.394   8.361  -1.504
  364   1HB   GLU  44          2HB       GLU  44  11.591   9.483  -1.342
  365   2HB   GLU  44          3HB       GLU  44  12.391   7.912  -1.466
  366   1HG   GLU  44          2HG       GLU  44  12.466   8.873  -3.643
  367   2HG   GLU  44          3HG       GLU  44  11.280   7.598  -3.739
  368    H    VAL  45           H        VAL  45  11.343   5.632  -0.182
  369    HA   VAL  45           HA       VAL  45  10.796   3.882  -2.353
  370    HB   VAL  45           HB       VAL  45  11.066   2.084  -0.777
  371   1HG1  VAL  45          1HG       VAL  45  13.257   2.589   0.085
  372   2HG1  VAL  45          2HG       VAL  45  13.063   3.361  -1.499
  373   3HG1  VAL  45          3HG       VAL  45  12.957   4.333  -0.010
  374   1HG2  VAL  45          1HG       VAL  45  10.742   4.175   1.389
  375   2HG2  VAL  45          2HG       VAL  45   9.763   2.719   1.125
  376   3HG2  VAL  45          3HG       VAL  45  11.421   2.559   1.678
  377    H    LEU  46           H        LEU  46   8.602   5.417  -0.179
  378    HA   LEU  46           HA       LEU  46   6.540   3.213  -0.546
  379   1HB   LEU  46          2HB       LEU  46   6.033   6.015   0.485
  380   2HB   LEU  46          3HB       LEU  46   4.953   4.618   0.582
  381    HG   LEU  46           HG       LEU  46   7.489   5.201   2.098
  382   1HD1  LEU  46          1HD       LEU  46   5.027   5.809   2.840
  383   2HD1  LEU  46          2HD       LEU  46   4.915   4.082   3.221
  384   3HD1  LEU  46          3HD       LEU  46   6.140   5.079   4.011
  385   1HD2  LEU  46          1HD       LEU  46   7.651   2.833   1.308
  386   2HD2  LEU  46          2HD       LEU  46   7.514   2.997   3.050
  387   3HD2  LEU  46          3HD       LEU  46   6.101   2.487   2.093
  388    H    ARG  47           H        ARG  47   7.437   6.243  -2.172
  389    HA   ARG  47           HA       ARG  47   4.932   6.171  -3.683
  390   1HB   ARG  47          2HB       ARG  47   6.076   8.294  -2.957
  391   2HB   ARG  47          3HB       ARG  47   7.376   7.909  -4.105
  392   1HG   ARG  47          2HG       ARG  47   5.725   7.918  -5.960
  393   2HG   ARG  47          3HG       ARG  47   4.428   8.319  -4.817
  394   1HD   ARG  47          2HD       ARG  47   5.195  10.484  -4.517
  395   2HD   ARG  47          3HD       ARG  47   6.890  10.045  -4.834
  396    HE   ARG  47           HE       ARG  47   5.593   9.592  -7.223
  397   1HH1  ARG  47          2HH       ARG  47   6.217  12.327  -5.126
  398   2HH1  ARG  47          1HH       ARG  47   6.289  13.522  -6.377
  399   1HH2  ARG  47          2HH       ARG  47   5.768  11.110  -8.961
  400   2HH2  ARG  47          1HH       ARG  47   6.045  12.784  -8.644
  401    H    GLU  48           H        GLU  48   8.231   4.945  -4.071
  402    HA   GLU  48           HA       GLU  48   8.330   4.750  -6.893
  403   1HB   GLU  48          2HB       GLU  48   9.627   3.435  -4.527
  404   2HB   GLU  48          3HB       GLU  48   9.756   2.584  -6.050
  405   1HG   GLU  48          2HG       GLU  48  10.335   5.467  -6.352
  406   2HG   GLU  48          3HG       GLU  48  11.384   4.689  -5.172
  407    H    GLN  49           H        GLN  49   6.378   2.958  -4.645
  408    HA   GLN  49           HA       GLN  49   5.643   0.995  -6.784
  409   1HB   GLN  49          2HB       GLN  49   5.677   0.860  -3.768
  410   2HB   GLN  49          3HB       GLN  49   5.045  -0.440  -4.810
  411   1HG   GLN  49          2HG       GLN  49   7.923   0.565  -4.998
  412   2HG   GLN  49          3HG       GLN  49   7.405  -0.704  -3.913
  413   1HE2  GLN  49          1HE       GLN  49   9.047  -1.952  -5.186
  414   2HE2  GLN  49          2HE       GLN  49   8.572  -2.749  -6.645
  415    H    ALA  50           H        ALA  50   4.613   3.781  -5.693
  416    HA   ALA  50           HA       ALA  50   2.050   3.486  -4.622
  417   1HB   ALA  50          1HB       ALA  50   2.927   5.588  -6.639
  418   2HB   ALA  50          2HB       ALA  50   1.561   5.711  -5.499
  419   3HB   ALA  50          3HB       ALA  50   3.221   5.652  -4.886
  420    H    GLY  51           H        GLY  51   0.024   3.058  -5.420
  421   1HA   GLY  51          2HA       GLY  51  -1.568   2.099  -6.765
  422   2HA   GLY  51          3HA       GLY  51  -0.845   3.024  -8.088
  423    H    GLY  52           H        GLY  52   1.300   0.731  -6.447
  424   1HA   GLY  52          2HA       GLY  52   1.095  -1.292  -8.580
  425   2HA   GLY  52          3HA       GLY  52   2.595  -0.374  -8.304
  426    H    ASP  53           H        ASP  53   3.237  -2.839  -7.927
  427    HA   ASP  53           HA       ASP  53   2.097  -3.935  -5.458
  428   1HB   ASP  53          2HB       ASP  53   2.985  -5.035  -7.920
  429   2HB   ASP  53          3HB       ASP  53   4.017  -5.707  -6.661
  430    H    ALA  54           H        ALA  54   3.083  -2.505  -3.909
  431    HA   ALA  54           HA       ALA  54   5.977  -2.531  -3.677
  432   1HB   ALA  54          1HB       ALA  54   5.710  -1.229  -1.794
  433   2HB   ALA  54          2HB       ALA  54   4.236  -0.840  -2.693
  434   3HB   ALA  54          3HB       ALA  54   4.170  -1.970  -1.325
  435    H    THR  55           H        THR  55   3.780  -5.039  -3.260
  436    HA   THR  55           HA       THR  55   4.578  -6.226  -0.834
  437    HB   THR  55           HB       THR  55   2.684  -6.727  -2.669
  438    HG1  THR  55          1HG       THR  55   3.813  -8.440  -0.716
  439   1HG2  THR  55          1HG       THR  55   4.618  -9.047  -2.918
  440   2HG2  THR  55          2HG       THR  55   2.988  -8.911  -3.624
  441   3HG2  THR  55          3HG       THR  55   4.292  -7.852  -4.207
  442    H    GLU  56           H        GLU  56   6.244  -6.190  -3.951
  443    HA   GLU  56           HA       GLU  56   8.005  -8.367  -3.303
  444   1HB   GLU  56          2HB       GLU  56   9.396  -7.463  -5.147
  445   2HB   GLU  56          3HB       GLU  56   7.704  -7.657  -5.568
  446   1HG   GLU  56          2HG       GLU  56   7.764  -5.593  -6.388
  447   2HG   GLU  56          3HG       GLU  56   7.731  -5.006  -4.731
  448    H    ASN  57           H        ASN  57   8.208  -4.806  -2.703
  449    HA   ASN  57           HA       ASN  57  10.819  -5.014  -1.529
  450   1HB   ASN  57          2HB       ASN  57   8.579  -2.943  -1.358
  451   2HB   ASN  57          3HB       ASN  57  10.074  -2.809  -0.441
  452   1HD2  ASN  57          1HD       ASN  57  12.174  -3.254  -1.952
  453   2HD2  ASN  57          2HD       ASN  57  12.077  -2.370  -3.462
  454    H    PHE  58           H        PHE  58   7.514  -4.793  -0.178
  455    HA   PHE  58           HA       PHE  58   8.249  -4.875   2.579
  456   1HB   PHE  58          2HB       PHE  58   5.998  -4.441   1.679
  457   2HB   PHE  58          3HB       PHE  58   5.788  -6.169   1.375
  458    HD1  PHE  58          1HD       PHE  58   5.992  -7.765   3.455
  459    HD2  PHE  58          2HD       PHE  58   5.462  -3.493   3.775
  460    HE1  PHE  58          1HE       PHE  58   5.288  -8.028   5.792
  461    HE2  PHE  58          2HE       PHE  58   4.705  -3.767   6.116
  462    HZ   PHE  58           HZ       PHE  58   4.617  -6.030   7.141
  463    H    GLU  59           H        GLU  59   7.866  -7.717   0.323
  464    HA   GLU  59           HA       GLU  59   8.306  -9.518   2.537
  465   1HB   GLU  59          2HB       GLU  59   7.982  -9.709  -0.483
  466   2HB   GLU  59          3HB       GLU  59   8.570 -11.104   0.377
  467   1HG   GLU  59          2HG       GLU  59   6.129  -9.765   1.478
  468   2HG   GLU  59          3HG       GLU  59   5.943 -10.636  -0.045
  469    H    ASP  60           H        ASP  60  10.317  -8.090  -0.076
  470    HA   ASP  60           HA       ASP  60  12.499  -9.890   0.109
  471   1HB   ASP  60          2HB       ASP  60  12.260  -8.324  -1.734
  472   2HB   ASP  60          3HB       ASP  60  12.385  -6.940  -0.636
  473    H    VAL  61           H        VAL  61  11.779  -6.869   1.890
  474    HA   VAL  61           HA       VAL  61  14.100  -7.361   3.650
  475    HB   VAL  61           HB       VAL  61  13.540  -5.354   4.775
  476   1HG1  VAL  61          1HG       VAL  61  14.498  -5.214   2.431
  477   2HG1  VAL  61          2HG       VAL  61  12.863  -4.855   1.845
  478   3HG1  VAL  61          3HG       VAL  61  13.655  -3.751   2.985
  479   1HG2  VAL  61          1HG       VAL  61  11.144  -5.524   5.072
  480   2HG2  VAL  61          2HG       VAL  61  11.502  -4.016   4.223
  481   3HG2  VAL  61          3HG       VAL  61  10.862  -5.406   3.321
  482    H    GLY  62           H        GLY  62  10.578  -7.917   3.671
  483   1HA   GLY  62          2HA       GLY  62   9.680  -9.830   4.655
  484   2HA   GLY  62          3HA       GLY  62  11.020  -9.899   5.807
  485    H    HIS  63           HN       HIS  63  10.911  -7.107   6.573
  486    HA   HIS  63           HA       HIS  63  10.101  -5.810   8.127
  487   1HB   HIS  63          2HB       HIS  63   7.598  -6.548   6.633
  488   2HB   HIS  63          3HB       HIS  63   7.392  -5.632   8.085
  489    HD1  HIS  63           HND      HIS  63   8.748  -5.275   4.597
  490    HD2  HIS  63           HD       HIS  63   8.068  -3.052   8.094
  491    HE1  HIS  63           HE       HIS  63   8.927  -2.852   3.926
  492    H    SER  64           H        SER  64   8.572  -5.646  10.184
  493    HA   SER  64           HA       SER  64   8.722  -8.269  11.585
  494   1HB   SER  64          2HB       SER  64   8.658  -5.416  12.645
  495   2HB   SER  64          3HB       SER  64   8.914  -6.889  13.604
  496    HG   SER  64           HG       SER  64  10.815  -5.569  12.744
  497    H    THR  65           H        THR  65   6.872  -8.750  13.165
  498    HA   THR  65           HA       THR  65   4.415  -8.403  12.016
  499    HB   THR  65           HB       THR  65   5.083  -8.911  14.939
  500    HG1  THR  65          1HG       THR  65   5.133 -11.084  14.148
  501   1HG2  THR  65          1HG       THR  65   2.726  -9.688  13.171
  502   2HG2  THR  65          2HG       THR  65   3.030 -10.351  14.797
  503   3HG2  THR  65          3HG       THR  65   2.683  -8.624  14.595
  504    H    ASP  66           H        ASP  66   5.994  -6.255  14.415
  505    HA   ASP  66           HA       ASP  66   3.785  -4.639  15.095
  506   1HB   ASP  66          2HB       ASP  66   6.764  -4.378  15.035
  507   2HB   ASP  66          3HB       ASP  66   5.883  -2.854  14.971
  508    H    ALA  67           H        ALA  67   5.948  -4.498  12.266
  509    HA   ALA  67           HA       ALA  67   4.785  -2.096  11.117
  510   1HB   ALA  67          1HB       ALA  67   6.247  -4.440   9.788
  511   2HB   ALA  67          2HB       ALA  67   5.893  -2.892   9.041
  512   3HB   ALA  67          3HB       ALA  67   7.029  -2.983  10.417
  513    H    ARG  68           H        ARG  68   4.397  -5.600  10.730
  514    HA   ARG  68           HA       ARG  68   2.675  -5.496   8.584
  515   1HB   ARG  68          2HB       ARG  68   3.910  -7.429   9.995
  516   2HB   ARG  68          3HB       ARG  68   2.282  -7.724  10.591
  517   1HG   ARG  68          2HG       ARG  68   1.598  -8.590   8.579
  518   2HG   ARG  68          3HG       ARG  68   2.502  -7.405   7.615
  519   1HD   ARG  68          2HD       ARG  68   4.578  -8.523   7.925
  520   2HD   ARG  68          3HD       ARG  68   3.959  -9.537   9.215
  521    HE   ARG  68           HE       ARG  68   3.704  -9.947   6.345
  522   1HH1  ARG  68          2HH       ARG  68   2.389 -10.752   9.514
  523   2HH1  ARG  68          1HH       ARG  68   1.836 -12.331   9.087
  524   1HH2  ARG  68          2HH       ARG  68   2.992 -12.067   5.721
  525   2HH2  ARG  68          1HH       ARG  68   2.156 -13.079   6.843
  526    H    GLU  69           H        GLU  69   2.138  -4.905  12.077
  527    HA   GLU  69           HA       GLU  69  -0.759  -5.243  12.127
  528   1HB   GLU  69          2HB       GLU  69   1.426  -4.605  14.087
  529   2HB   GLU  69          3HB       GLU  69  -0.084  -3.760  14.378
  530   1HG   GLU  69          2HG       GLU  69  -0.909  -6.371  13.827
  531   2HG   GLU  69          3HG       GLU  69   0.557  -6.597  14.777
  532    H    LEU  70           H        LEU  70   1.479  -2.364  12.102
  533    HA   LEU  70           HA       LEU  70  -0.544  -0.396  11.978
  534   1HB   LEU  70          2HB       LEU  70   2.253  -0.760  10.867
  535   2HB   LEU  70          3HB       LEU  70   1.331   0.668  10.500
  536    HG   LEU  70           HG       LEU  70   1.455  -0.128  13.361
  537   1HD1  LEU  70          1HD       LEU  70   3.703   0.938  13.640
  538   2HD1  LEU  70          2HD       LEU  70   3.784  -0.552  12.691
  539   3HD1  LEU  70          3HD       LEU  70   3.860   1.026  11.867
  540   1HD2  LEU  70          1HD       LEU  70   1.795   2.482  11.870
  541   2HD2  LEU  70          2HD       LEU  70   0.273   1.848  12.547
  542   3HD2  LEU  70          3HD       LEU  70   1.610   2.302  13.636
  543    H    SER  71           H        SER  71   0.622  -2.797   9.615
  544    HA   SER  71           HA       SER  71  -0.560  -1.697   7.357
  545   1HB   SER  71          2HB       SER  71  -0.624  -4.656   7.737
  546   2HB   SER  71          3HB       SER  71  -0.261  -3.703   6.295
  547    HG   SER  71           HG       SER  71   1.614  -2.927   7.720
  548    H    LYS  72           H        LYS  72  -2.093  -3.480  10.003
  549    HA   LYS  72           HA       LYS  72  -4.608  -3.871   8.775
  550   1HB   LYS  72          2HB       LYS  72  -3.614  -4.876  10.931
  551   2HB   LYS  72          3HB       LYS  72  -4.167  -3.424  11.767
  552   1HG   LYS  72          2HG       LYS  72  -6.079  -5.008  10.035
  553   2HG   LYS  72          3HG       LYS  72  -5.658  -5.623  11.630
  554   1HD   LYS  72          2HD       LYS  72  -6.830  -3.999  12.763
  555   2HD   LYS  72          3HD       LYS  72  -6.525  -2.758  11.554
  556   1HE   LYS  72          2HE       LYS  72  -8.849  -3.261  11.376
  557   2HE   LYS  72          3HE       LYS  72  -8.047  -3.959   9.964
  558   1HZ   LYS  72          1HZ       LYS  72  -9.009  -5.376  12.363
  559   2HZ   LYS  72          2HZ       LYS  72  -9.509  -5.576  10.808
  560   3HZ   LYS  72          3HZ       LYS  72  -8.010  -6.083  11.264
  561    H    THR  73           H        THR  73  -3.248  -0.938  10.299
  562    HA   THR  73           HA       THR  73  -5.885   0.384  10.205
  563    HB   THR  73           HB       THR  73  -4.556   2.302  11.164
  564    HG1  THR  73          1HG       THR  73  -2.429   1.228  10.318
  565   1HG2  THR  73          1HG       THR  73  -5.741   0.607  12.550
  566   2HG2  THR  73          2HG       THR  73  -4.277  -0.407  12.532
  567   3HG2  THR  73          3HG       THR  73  -4.249   1.173  13.339
  568    H    PHE  74           H        PHE  74  -3.413  -0.207   8.028
  569    HA   PHE  74           HA       PHE  74  -3.743   2.344   6.487
  570   1HB   PHE  74          2HB       PHE  74  -1.875  -0.012   6.250
  571   2HB   PHE  74          3HB       PHE  74  -1.856   1.413   5.201
  572    HD1  PHE  74          1HD       PHE  74   0.508   0.617   6.182
  573    HD2  PHE  74          2HD       PHE  74  -2.471   2.931   8.259
  574    HE1  PHE  74          1HE       PHE  74   2.269   1.708   7.492
  575    HE2  PHE  74          2HE       PHE  74  -0.709   3.881   9.718
  576    HZ   PHE  74           HZ       PHE  74   1.660   3.248   9.336
  577    H    ILE  75           H        ILE  75  -4.799  -1.044   6.402
  578    HA   ILE  75           HA       ILE  75  -5.277  -1.091   3.589
  579    HB   ILE  75           HB       ILE  75  -5.609  -2.827   5.798
  580   1HG1  ILE  75          2HG       ILE  75  -6.334  -3.306   2.896
  581   2HG1  ILE  75          3HG       ILE  75  -4.683  -3.145   3.476
  582   1HG2  ILE  75          1HG       ILE  75  -7.803  -3.867   5.456
  583   2HG2  ILE  75          2HG       ILE  75  -7.984  -2.221   6.043
  584   3HG2  ILE  75          3HG       ILE  75  -8.262  -2.588   4.317
  585   1HD1  ILE  75          1HD       ILE  75  -5.170  -5.019   5.138
  586   2HD1  ILE  75          2HD       ILE  75  -6.656  -5.329   4.200
  587   3HD1  ILE  75          3HD       ILE  75  -5.065  -5.477   3.432
  588    H    ILE  76           H        ILE  76  -6.559   0.193   2.441
  589    HA   ILE  76           HA       ILE  76  -8.874   1.459   3.858
  590    HB   ILE  76           HB       ILE  76  -8.913   3.164   2.158
  591   1HG1  ILE  76          2HG       ILE  76  -6.681   3.302   0.690
  592   2HG1  ILE  76          3HG       ILE  76  -6.646   1.597   0.914
  593   1HG2  ILE  76          1HG       ILE  76  -6.953   4.362   2.819
  594   2HG2  ILE  76          2HG       ILE  76  -7.533   3.415   4.207
  595   3HG2  ILE  76          3HG       ILE  76  -6.120   2.861   3.283
  596   1HD1  ILE  76          1HD       ILE  76  -7.806   2.477  -1.171
  597   2HD1  ILE  76          2HD       ILE  76  -8.953   1.550  -0.184
  598   3HD1  ILE  76          3HD       ILE  76  -8.938   3.336  -0.125
  599    H    GLY  77           H        GLY  77  -8.099  -1.088   1.699
  600   1HA   GLY  77          2HA       GLY  77 -10.808  -1.805   1.242
  601   2HA   GLY  77          3HA       GLY  77 -10.110  -1.021  -0.197
  602    H    GLU  78           H        GLU  78 -10.534  -3.358  -1.062
  603    HA   GLU  78           HA       GLU  78  -8.014  -4.848  -0.866
  604   1HB   GLU  78          2HB       GLU  78 -10.761  -6.141  -0.726
  605   2HB   GLU  78          3HB       GLU  78  -9.219  -6.991  -0.854
  606   1HG   GLU  78          2HG       GLU  78  -8.578  -5.977   1.377
  607   2HG   GLU  78          3HG       GLU  78 -10.219  -5.342   1.511
  608    H    LEU  79           H        LEU  79  -7.909  -6.379  -2.911
  609    HA   LEU  79           HA       LEU  79  -8.770  -4.877  -5.224
  610   1HB   LEU  79          2HB       LEU  79  -7.224  -7.417  -4.648
  611   2HB   LEU  79          3HB       LEU  79  -7.941  -7.223  -6.247
  612    HG   LEU  79           HG       LEU  79  -6.819  -5.120  -6.597
  613   1HD1  LEU  79          1HD       LEU  79  -5.539  -5.515  -3.876
  614   2HD1  LEU  79          2HD       LEU  79  -5.067  -4.287  -5.074
  615   3HD1  LEU  79          3HD       LEU  79  -6.673  -4.239  -4.368
  616   1HD2  LEU  79          1HD       LEU  79  -4.540  -5.946  -6.840
  617   2HD2  LEU  79          2HD       LEU  79  -4.811  -7.173  -5.585
  618   3HD2  LEU  79          3HD       LEU  79  -5.653  -7.292  -7.133
  619    H    HIS  80           H        HIS  80 -10.434  -5.278  -6.612
  620    HA   HIS  80           HA       HIS  80 -12.668  -6.864  -5.797
  621   1HB   HIS  80          2HB       HIS  80 -11.889  -5.264  -8.182
  622   2HB   HIS  80          3HB       HIS  80 -12.939  -6.614  -8.564
  623    HD1  HIS  80           HD1      HIS  80 -15.500  -6.240  -8.096
  624    HD2  HIS  80           HD2      HIS  80 -12.911  -3.596  -6.102
  625    HE1  HIS  80           HE1      HIS  80 -16.974  -4.564  -6.850
  626    HA   PRO  81           HA       PRO  81 -11.754 -10.927  -7.391
  627   1HB   PRO  81          2HB       PRO  81 -14.220 -11.826  -8.218
  628   2HB   PRO  81          3HB       PRO  81 -13.802 -11.575  -6.516
  629   1HG   PRO  81          2HG       PRO  81 -15.291  -9.678  -8.334
  630   2HG   PRO  81          3HG       PRO  81 -15.723 -10.187  -6.669
  631   1HD   PRO  81          2HD       PRO  81 -14.422  -7.856  -7.197
  632   2HD   PRO  81          3HD       PRO  81 -14.081  -8.794  -5.717
  633    H    ASP  82           H        ASP  82 -10.491  -9.793  -9.047
  634    HA   ASP  82           HA       ASP  82 -11.338 -10.920 -11.619
  635   1HB   ASP  82          2HB       ASP  82 -12.143  -8.474 -11.565
  636   2HB   ASP  82          3HB       ASP  82 -10.440  -8.010 -11.576
  637    H    ASP  83           H        ASP  83  -8.817  -8.942  -9.874
  638    HA   ASP  83           HA       ASP  83  -6.741  -9.896 -11.694
  639   1HB   ASP  83          2HB       ASP  83  -6.351  -7.755 -10.821
  640   2HB   ASP  83          3HB       ASP  83  -6.808  -8.191  -9.179
  641    H    ARG  84           H        ARG  84  -7.765 -10.576  -8.308
  642    HA   ARG  84           HA       ARG  84  -5.716 -12.653  -8.178
  643   1HB   ARG  84          2HB       ARG  84  -6.518 -10.995  -6.327
  644   2HB   ARG  84          3HB       ARG  84  -7.910 -12.057  -6.162
  645   1HG   ARG  84          2HG       ARG  84  -6.321 -12.817  -4.512
  646   2HG   ARG  84          3HG       ARG  84  -6.193 -13.987  -5.833
  647   1HD   ARG  84          2HD       ARG  84  -4.267 -12.577  -6.730
  648   2HD   ARG  84          3HD       ARG  84  -4.269 -11.793  -5.147
  649    HE   ARG  84           HE       ARG  84  -4.276 -14.439  -4.507
  650   1HH1  ARG  84          2HH       ARG  84  -2.218 -12.464  -6.579
  651   2HH1  ARG  84          1HH       ARG  84  -0.850 -13.513  -6.523
  652   1HH2  ARG  84          2HH       ARG  84  -2.479 -15.921  -4.451
  653   2HH2  ARG  84          1HH       ARG  84  -1.007 -15.531  -5.259
  654    H    SER  85           H        SER  85  -8.886 -12.476  -9.393
  655    HA   SER  85           HA       SER  85 -10.659 -13.899  -9.581
  656   1HB   SER  85          2HB       SER  85  -8.889 -14.491 -11.296
  657   2HB   SER  85          3HB       SER  85  -8.476 -15.886 -10.278
  658    HG   SER  85           HG       SER  85 -10.668 -16.560 -10.483
  659    H    LYS  86           H        LYS  86  -9.844 -13.771  -6.863
  660    HA   LYS  86           HA       LYS  86 -10.113 -16.616  -5.972
  661   1HB   LYS  86          2HB       LYS  86  -8.069 -14.795  -5.584
  662   2HB   LYS  86          3HB       LYS  86  -8.889 -14.727  -4.048
  663   1HG   LYS  86          2HG       LYS  86  -7.828 -17.258  -5.401
  664   2HG   LYS  86          3HG       LYS  86  -7.009 -16.333  -4.141
  665   1HD   LYS  86          2HD       LYS  86  -7.981 -17.842  -2.745
  666   2HD   LYS  86          3HD       LYS  86  -9.347 -16.729  -2.857
  667   1HE   LYS  86          2HE       LYS  86  -9.834 -18.302  -5.042
  668   2HE   LYS  86          3HE       LYS  86  -8.930 -19.455  -4.056
  669   1HZ   LYS  86          1HZ       LYS  86 -10.542 -18.983  -2.266
  670   2HZ   LYS  86          2HZ       LYS  86 -11.378 -17.993  -3.292
  671   3HZ   LYS  86          3HZ       LYS  86 -11.270 -19.602  -3.610
  672    H    LEU  87           H        LEU  87 -11.200 -13.299  -5.220
  673    HA   LEU  87           HA       LEU  87 -12.795 -14.135  -2.928
  674   1HB   LEU  87          2HB       LEU  87 -12.857 -11.623  -4.665
  675   2HB   LEU  87          3HB       LEU  87 -13.931 -11.919  -3.312
  676    HG   LEU  87           HG       LEU  87 -11.597 -12.256  -2.016
  677   1HD1  LEU  87          1HD       LEU  87 -10.152 -11.847  -4.000
  678   2HD1  LEU  87          2HD       LEU  87 -10.958 -10.280  -4.270
  679   3HD1  LEU  87          3HD       LEU  87  -9.977 -10.536  -2.825
  680   1HD2  LEU  87          1HD       LEU  87 -13.378 -10.650  -1.436
  681   2HD2  LEU  87          2HD       LEU  87 -11.793  -9.868  -1.362
  682   3HD2  LEU  87          3HD       LEU  87 -12.859  -9.573  -2.753
  683    H    SER  88           H        SER  88 -13.195 -13.966  -6.439
  684    HA   SER  88           HA       SER  88 -15.524 -15.632  -6.343
  685   1HB   SER  88          2HB       SER  88 -15.923 -12.770  -6.512
  686   2HB   SER  88          3HB       SER  88 -16.273 -13.464  -8.104
  687    HG   SER  88           HG       SER  88 -17.983 -13.420  -6.369
  688    H    LYS  89           H        LYS  89 -16.166 -15.977  -8.727
  689    HA   LYS  89           HA       LYS  89 -15.689 -16.641 -10.839
  690   1HB   LYS  89          2HB       LYS  89 -14.122 -14.315 -10.645
  691   2HB   LYS  89          3HB       LYS  89 -12.992 -15.526 -11.216
  692   1HG   LYS  89          2HG       LYS  89 -15.705 -14.970 -12.503
  693   2HG   LYS  89          3HG       LYS  89 -14.240 -14.091 -12.900
  694   1HD   LYS  89          2HD       LYS  89 -13.337 -16.662 -13.267
  695   2HD   LYS  89          3HD       LYS  89 -15.053 -16.839 -13.673
  696   1HE   LYS  89          2HE       LYS  89 -14.009 -16.289 -15.720
  697   2HE   LYS  89          3HE       LYS  89 -14.817 -14.807 -15.183
  698   1HZ   LYS  89          1HZ       LYS  89 -12.653 -14.055 -14.336
  699   2HZ   LYS  89          2HZ       LYS  89 -11.945 -15.434 -14.889
  700   3HZ   LYS  89          3HZ       LYS  89 -12.594 -14.362 -15.950
  701    HA   PRO  90           HA       PRO  90 -13.260 -20.123  -9.362
  702   1HB   PRO  90          2HB       PRO  90 -13.687 -21.902 -11.420
  703   2HB   PRO  90          3HB       PRO  90 -14.919 -21.515 -10.183
  704   1HG   PRO  90          2HG       PRO  90 -14.629 -20.333 -12.958
  705   2HG   PRO  90          3HG       PRO  90 -16.110 -20.979 -12.178
  706   1HD   PRO  90          2HD       PRO  90 -15.543 -18.319 -12.219
  707   2HD   PRO  90          3HD       PRO  90 -16.324 -19.072 -10.799
  708    H    MET  91           H        MET  91 -11.554 -21.685 -10.683
  709    HA   MET  91           HA       MET  91  -9.895 -19.953 -12.401
  710   1HB   MET  91          2HB       MET  91  -9.216 -19.918  -9.924
  711   2HB   MET  91          3HB       MET  91  -8.772 -21.617 -10.100
  712   1HG   MET  91          2HG       MET  91  -7.685 -19.602 -12.066
  713   2HG   MET  91          3HG       MET  91  -7.056 -19.586 -10.424
  714   1HE   MET  91          1HE       MET  91  -5.359 -19.857 -12.985
  715   2HE   MET  91          2HE       MET  91  -4.539 -19.967 -11.408
  716   3HE   MET  91          3HE       MET  91  -4.232 -21.194 -12.660
  717    H    GLU  92           H        GLU  92  -8.177 -21.414 -13.435
  718    HA   GLU  92           HA       GLU  92  -7.571 -23.092 -14.752
  719   1HB   GLU  92          2HB       GLU  92  -8.333 -24.525 -12.610
  720   2HB   GLU  92          3HB       GLU  92  -9.560 -25.093 -13.762
  721   1HG   GLU  92          2HG       GLU  92  -7.556 -25.401 -15.404
  722   2HG   GLU  92          3HG       GLU  92  -6.530 -25.220 -13.976
  723    H    THR  93           H        THR  93 -11.134 -23.281 -14.315
  724    HA   THR  93           HA       THR  93 -11.697 -23.737 -17.120
  725    HB   THR  93           HB       THR  93 -13.395 -22.657 -14.825
  726    HG1  THR  93          1HG       THR  93 -12.421 -24.860 -14.763
  727   1HG2  THR  93          1HG       THR  93 -14.248 -23.858 -17.501
  728   2HG2  THR  93          2HG       THR  93 -15.329 -23.431 -16.158
  729   3HG2  THR  93          3HG       THR  93 -14.450 -22.156 -17.018
  730    H    LEU  94           H        LEU  94 -11.890 -22.224 -18.716
  731    HA   LEU  94           HA       LEU  94 -10.912 -19.522 -18.253
  732   1HB   LEU  94          2HB       LEU  94 -12.113 -20.848 -20.734
  733   2HB   LEU  94          3HB       LEU  94 -11.364 -19.258 -20.675
  734    HG   LEU  94           HG       LEU  94  -9.417 -20.937 -19.516
  735   1HD1  LEU  94          1HD       LEU  94 -10.565 -22.274 -22.010
  736   2HD1  LEU  94          2HD       LEU  94  -9.081 -22.736 -21.150
  737   3HD1  LEU  94          3HD       LEU  94 -10.649 -22.930 -20.359
  738   1HD2  LEU  94          1HD       LEU  94  -8.136 -20.482 -21.551
  739   2HD2  LEU  94          2HD       LEU  94  -9.618 -19.976 -22.398
  740   3HD2  LEU  94          3HD       LEU  94  -9.005 -19.033 -21.019
  741    HHA  HEM  95          MHG       HEM  95  11.980  -0.643   8.981
  742    HHB  HEM  95          MHD       HEM  95   5.637  -0.246   9.724
  743    HHC  HEM  95          MHA       HEM  95   4.836  -0.745   3.364
  744    HHD  HEM  95          MHB       HEM  95  11.236  -0.238   2.564
  745   1HMA  HEM  95          1HM       HEM  95   7.009  -1.272  11.983
  746   2HMA  HEM  95          2HM       HEM  95   8.160  -0.057  12.562
  747   3HMA  HEM  95          3HM       HEM  95   6.732   0.453  11.668
  748   1HAA  HEM  95          1HP       HEM  95  10.151  -0.889  12.323
  749   2HAA  HEM  95          2HP       HEM  95  11.488  -0.486  11.256
  750   1HBA  HEM  95          3HP       HEM  95  11.486  -2.743  10.321
  751   2HBA  HEM  95          4HP       HEM  95   9.985  -3.138  11.170
  752   1HMB  HEM  95          1HM       HEM  95   2.311  -0.682   8.049
  753   2HMB  HEM  95          2HM       HEM  95   3.616  -1.128   9.170
  754   3HMB  HEM  95          3HM       HEM  95   3.291   0.556   8.914
  755    HAB  HEM  95          AHT       HEM  95   2.500   0.223   4.835
  756   1HBB  HEM  95          CHV       HEM  95   2.514  -2.735   5.595
  757   2HBB  HEM  95          THV       HEM  95   1.099  -1.753   4.883
  758   1HMC  HEM  95          1HM       HEM  95   5.407  -1.533   1.338
  759   2HMC  HEM  95          2HM       HEM  95   5.832  -0.022   0.505
  760   3HMC  HEM  95          3HM       HEM  95   6.724  -1.536   0.175
  761    HAC  HEM  95          AHT       HEM  95  10.331  -0.788   0.524
  762   1HBC  HEM  95          THV       HEM  95   9.394   0.144  -1.482
  763   2HBC  HEM  95          CHV       HEM  95   7.859   0.653  -0.561
  764   1HMD  HEM  95          1HM       HEM  95  13.790   0.716   3.575
  765   2HMD  HEM  95          2HM       HEM  95  14.567  -0.696   4.332
  766   3HMD  HEM  95          3HM       HEM  95  13.364  -0.935   3.070
  767   1HAD  HEM  95          1HP       HEM  95  14.570  -1.266   6.796
  768   2HAD  HEM  95          2HP       HEM  95  13.908  -0.332   8.121
  769   1HBD  HEM  95          3HP       HEM  95  15.029   1.512   7.562
  770   2HBD  HEM  95          4HP       HEM  95  14.462   1.460   5.897
  Start of MODEL   27
    1   1H    ASP   1           H1       ASP   1 -21.128 -10.193   5.169
    2   2H    ASP   1           H2       ASP   1 -21.826  -8.876   5.637
    3   3H    ASP   1           H3       ASP   1 -22.685 -10.259   5.888
    4    HA   ASP   1           HA       ASP   1 -23.324 -10.179   3.538
    5   1HB   ASP   1          2HB       ASP   1 -23.489  -8.133   5.484
    6   2HB   ASP   1          3HB       ASP   1 -22.969  -7.256   4.067
    7    H    LYS   2           H        LYS   2 -21.852 -10.396   1.444
    8    HA   LYS   2           HA       LYS   2 -19.055  -9.865   2.033
    9   1HB   LYS   2          2HB       LYS   2 -18.599 -10.554  -0.252
   10   2HB   LYS   2          3HB       LYS   2 -19.656 -11.676   0.587
   11   1HG   LYS   2          2HG       LYS   2 -21.491  -9.934  -0.607
   12   2HG   LYS   2          3HG       LYS   2 -20.185  -9.928  -1.782
   13   1HD   LYS   2          2HD       LYS   2 -20.786 -12.660  -0.882
   14   2HD   LYS   2          3HD       LYS   2 -22.237 -11.843  -1.470
   15   1HE   LYS   2          2HE       LYS   2 -21.442 -11.598  -3.608
   16   2HE   LYS   2          3HE       LYS   2 -19.749 -11.495  -3.104
   17   1HZ   LYS   2          1HZ       LYS   2 -20.875 -14.034  -2.519
   18   2HZ   LYS   2          2HZ       LYS   2 -20.951 -13.696  -4.128
   19   3HZ   LYS   2          3HZ       LYS   2 -19.501 -13.658  -3.342
   20    H    ASP   3           H        ASP   3 -19.513  -7.523   2.760
   21    HA   ASP   3           HA       ASP   3 -19.671  -5.655   0.515
   22   1HB   ASP   3          2HB       ASP   3 -21.777  -5.947   2.137
   23   2HB   ASP   3          3HB       ASP   3 -20.787  -5.058   3.286
   24    H    VAL   4           H        VAL   4 -17.436  -5.335   0.448
   25    HA   VAL   4           HA       VAL   4 -16.207  -4.341   2.963
   26    HB   VAL   4           HB       VAL   4 -14.673  -5.839   0.834
   27   1HG1  VAL   4          1HG       VAL   4 -13.712  -4.316   2.829
   28   2HG1  VAL   4          2HG       VAL   4 -14.055  -5.749   3.788
   29   3HG1  VAL   4          3HG       VAL   4 -12.949  -5.859   2.400
   30   1HG2  VAL   4          1HG       VAL   4 -14.802  -7.724   2.745
   31   2HG2  VAL   4          2HG       VAL   4 -16.427  -7.052   2.927
   32   3HG2  VAL   4          3HG       VAL   4 -15.887  -7.677   1.353
   33    H    LYS   5           H        LYS   5 -13.928  -4.033   0.803
   34    HA   LYS   5           HA       LYS   5 -14.991  -1.580  -0.477
   35   1HB   LYS   5          2HB       LYS   5 -12.817  -1.826   1.549
   36   2HB   LYS   5          3HB       LYS   5 -12.527  -0.729   0.190
   37   1HG   LYS   5          2HG       LYS   5 -15.051  -0.589   1.853
   38   2HG   LYS   5          3HG       LYS   5 -13.574   0.319   2.208
   39   1HD   LYS   5          2HD       LYS   5 -14.549   1.886   0.881
   40   2HD   LYS   5          3HD       LYS   5 -13.769   0.969  -0.398
   41   1HE   LYS   5          2HE       LYS   5 -15.699   0.385  -1.338
   42   2HE   LYS   5          3HE       LYS   5 -16.356  -0.223   0.193
   43   1HZ   LYS   5          1HZ       LYS   5 -16.262   2.642  -0.463
   44   2HZ   LYS   5          2HZ       LYS   5 -17.557   1.685  -0.829
   45   3HZ   LYS   5          3HZ       LYS   5 -17.111   1.898   0.742
   46    H    TYR   6           H        TYR   6 -15.119  -3.240  -2.216
   47    HA   TYR   6           HA       TYR   6 -12.610  -4.180  -3.342
   48   1HB   TYR   6          2HB       TYR   6 -15.534  -4.301  -4.183
   49   2HB   TYR   6          3HB       TYR   6 -14.228  -5.013  -5.113
   50    HD1  TYR   6           HD1      TYR   6 -16.363  -5.413  -2.177
   51    HD2  TYR   6           HD2      TYR   6 -12.891  -6.909  -4.253
   52    HE1  TYR   6           HE1      TYR   6 -16.535  -7.534  -0.918
   53    HE2  TYR   6           HE2      TYR   6 -13.046  -9.038  -2.978
   54    HH   TYR   6           HH       TYR   6 -15.815  -9.845  -0.994
   55    H    TYR   7           H        TYR   7 -11.507  -2.149  -3.817
   56    HA   TYR   7           HA       TYR   7 -12.627  -0.122  -5.497
   57   1HB   TYR   7          2HB       TYR   7  -9.888  -0.873  -4.356
   58   2HB   TYR   7          3HB       TYR   7 -10.097   0.462  -5.403
   59    HD1  TYR   7           HD1      TYR   7 -10.221  -0.534  -2.004
   60    HD2  TYR   7           HD2      TYR   7 -11.955   2.197  -4.843
   61    HE1  TYR   7           HE1      TYR   7 -10.924   0.966  -0.147
   62    HE2  TYR   7           HE2      TYR   7 -12.630   3.717  -3.002
   63    HH   TYR   7           HH       TYR   7 -11.437   3.323   0.236
   64    H    THR   8           H        THR   8 -11.876   0.337  -7.682
   65    HA   THR   8           HA       THR   8 -11.160  -2.151  -9.137
   66    HB   THR   8           HB       THR   8 -11.922  -0.625 -11.068
   67    HG1  THR   8          1HG       THR   8 -12.368   1.375 -10.544
   68   1HG2  THR   8          1HG       THR   8 -14.359  -0.551  -9.607
   69   2HG2  THR   8          2HG       THR   8 -13.787  -1.871 -10.658
   70   3HG2  THR   8          3HG       THR   8 -13.461  -1.904  -8.919
   71    H    LEU   9           H        LEU   9  -9.305  -2.198 -10.516
   72    HA   LEU   9           HA       LEU   9  -7.041  -0.886  -9.752
   73   1HB   LEU   9          2HB       LEU   9  -7.662  -1.548 -12.661
   74   2HB   LEU   9          3HB       LEU   9  -6.073  -1.298 -11.950
   75    HG   LEU   9           HG       LEU   9  -6.206  -3.570 -12.039
   76   1HD1  LEU   9          1HD       LEU   9  -5.544  -2.960  -9.787
   77   2HD1  LEU   9          2HD       LEU   9  -7.246  -2.854  -9.235
   78   3HD1  LEU   9          3HD       LEU   9  -6.615  -4.376  -9.665
   79   1HD2  LEU   9          1HD       LEU   9  -8.969  -3.264 -12.252
   80   2HD2  LEU   9          2HD       LEU   9  -8.098  -4.782 -12.231
   81   3HD2  LEU   9          3HD       LEU   9  -8.772  -4.156 -10.717
   82    H    GLU  10           H        GLU  10  -9.213   0.333 -12.335
   83    HA   GLU  10           HA       GLU  10  -7.835   2.616 -13.027
   84   1HB   GLU  10          2HB       GLU  10 -10.582   1.688 -13.129
   85   2HB   GLU  10          3HB       GLU  10 -10.583   3.383 -12.635
   86   1HG   GLU  10          2HG       GLU  10  -8.927   3.792 -14.572
   87   2HG   GLU  10          3HG       GLU  10  -9.356   2.167 -15.132
   88    H    GLU  11           H        GLU  11  -9.749   2.155 -10.070
   89    HA   GLU  11           HA       GLU  11  -9.342   4.829  -9.124
   90   1HB   GLU  11          2HB       GLU  11 -11.285   3.491  -8.369
   91   2HB   GLU  11          3HB       GLU  11 -10.204   2.304  -7.633
   92   1HG   GLU  11          2HG       GLU  11 -11.110   3.818  -5.969
   93   2HG   GLU  11          3HG       GLU  11  -9.376   3.849  -6.054
   94    H    ILE  12           H        ILE  12  -7.850   1.608  -8.117
   95    HA   ILE  12           HA       ILE  12  -6.076   2.692  -6.267
   96    HB   ILE  12           HB       ILE  12  -5.884   0.320  -8.139
   97   1HG1  ILE  12          2HG       ILE  12  -6.064  -0.513  -5.496
   98   2HG1  ILE  12          3HG       ILE  12  -7.027   0.963  -5.499
   99   1HG2  ILE  12          1HG       ILE  12  -3.665   0.362  -7.761
  100   2HG2  ILE  12          2HG       ILE  12  -3.798   1.468  -6.358
  101   3HG2  ILE  12          3HG       ILE  12  -4.063  -0.238  -6.162
  102   1HD1  ILE  12          1HD       ILE  12  -7.426  -1.236  -7.525
  103   2HD1  ILE  12          2HD       ILE  12  -8.246  -1.207  -5.940
  104   3HD1  ILE  12          3HD       ILE  12  -8.508   0.105  -7.038
  105    H    LYS  13           H        LYS  13  -5.507   2.269  -9.715
  106    HA   LYS  13           HA       LYS  13  -2.899   3.437  -9.805
  107   1HB   LYS  13          2HB       LYS  13  -5.032   3.198 -11.990
  108   2HB   LYS  13          3HB       LYS  13  -3.310   3.465 -12.257
  109   1HG   LYS  13          2HG       LYS  13  -4.463   0.965 -10.900
  110   2HG   LYS  13          3HG       LYS  13  -4.080   1.068 -12.604
  111   1HD   LYS  13          2HD       LYS  13  -2.056   1.636 -10.400
  112   2HD   LYS  13          3HD       LYS  13  -2.315   0.022 -11.040
  113   1HE   LYS  13          2HE       LYS  13  -1.620   2.425 -12.784
  114   2HE   LYS  13          3HE       LYS  13  -0.406   1.347 -12.075
  115   1HZ   LYS  13          1HZ       LYS  13  -2.565   0.520 -13.911
  116   2HZ   LYS  13          2HZ       LYS  13  -0.968   0.649 -14.294
  117   3HZ   LYS  13          3HZ       LYS  13  -1.470  -0.491 -13.216
  118    H    LYS  14           H        LYS  14  -6.017   4.803  -9.463
  119    HA   LYS  14           HA       LYS  14  -5.030   7.529 -10.079
  120   1HB   LYS  14          2HB       LYS  14  -7.260   6.632 -10.992
  121   2HB   LYS  14          3HB       LYS  14  -7.829   6.619  -9.317
  122   1HG   LYS  14          2HG       LYS  14  -6.918   9.181  -9.477
  123   2HG   LYS  14          3HG       LYS  14  -7.176   8.893 -11.177
  124   1HD   LYS  14          2HD       LYS  14  -9.424   8.973 -10.978
  125   2HD   LYS  14          3HD       LYS  14  -9.474   7.991  -9.502
  126   1HE   LYS  14          2HE       LYS  14  -9.235   9.760  -8.073
  127   2HE   LYS  14          3HE       LYS  14  -8.266  10.699  -9.215
  128   1HZ   LYS  14          1HZ       LYS  14 -10.529  10.705 -10.501
  129   2HZ   LYS  14          2HZ       LYS  14 -11.147  10.539  -8.984
  130   3HZ   LYS  14          3HZ       LYS  14 -10.184  11.831  -9.352
  131    H    HIS  15           H        HIS  15  -4.199   5.798  -7.712
  132    HA   HIS  15           HA       HIS  15  -4.790   7.871  -5.660
  133   1HB   HIS  15          2HB       HIS  15  -4.730   4.870  -5.397
  134   2HB   HIS  15          3HB       HIS  15  -4.412   5.944  -4.025
  135    HD1  HIS  15           HD1      HIS  15  -6.397   7.735  -3.417
  136    HD2  HIS  15           HD2      HIS  15  -7.270   4.331  -5.686
  137    HE1  HIS  15           HE1      HIS  15  -8.948   7.379  -3.296
  138    H    ASN  16           H        ASN  16  -2.700   7.616  -7.724
  139    HA   ASN  16           HA       ASN  16  -0.313   7.544  -5.921
  140   1HB   ASN  16          2HB       ASN  16   0.081   5.839  -7.508
  141   2HB   ASN  16          3HB       ASN  16  -0.701   6.732  -8.810
  142   1HD2  ASN  16          1HD       ASN  16   0.511   7.940 -10.122
  143   2HD2  ASN  16          2HD       ASN  16   2.206   8.350  -9.869
  144    H    HIS  17           H        HIS  17  -0.802   9.727  -5.269
  145    HA   HIS  17           HA       HIS  17   0.124  11.633  -7.320
  146   1HB   HIS  17          2HB       HIS  17  -2.350  12.237  -5.677
  147   2HB   HIS  17          3HB       HIS  17  -1.632  13.220  -6.958
  148    HD1  HIS  17           HD1      HIS  17  -1.959  12.313  -9.511
  149    HD2  HIS  17           HD2      HIS  17  -3.984  10.216  -6.470
  150    HE1  HIS  17           HE1      HIS  17  -3.711  10.857 -10.660
  151    H    SER  18           H        SER  18   0.017  13.966  -5.907
  152    HA   SER  18           HA       SER  18   1.946  13.454  -3.738
  153   1HB   SER  18          2HB       SER  18   2.274  15.176  -5.554
  154   2HB   SER  18          3HB       SER  18   0.939  16.104  -4.836
  155    HG   SER  18           HG       SER  18   2.774  16.863  -3.892
  156    H    LYS  19           H        LYS  19  -1.005  12.764  -3.504
  157    HA   LYS  19           HA       LYS  19  -1.298  13.753  -0.834
  158   1HB   LYS  19          2HB       LYS  19  -2.198  15.613  -2.530
  159   2HB   LYS  19          3HB       LYS  19  -3.603  14.561  -2.628
  160   1HG   LYS  19          2HG       LYS  19  -4.071  16.110  -0.869
  161   2HG   LYS  19          3HG       LYS  19  -3.632  14.616  -0.044
  162   1HD   LYS  19          2HD       LYS  19  -2.515  16.336   1.109
  163   2HD   LYS  19          3HD       LYS  19  -1.235  15.578   0.157
  164   1HE   LYS  19          2HE       LYS  19  -1.124  17.352  -1.386
  165   2HE   LYS  19          3HE       LYS  19  -2.769  17.897  -1.004
  166   1HZ   LYS  19          1HZ       LYS  19  -1.742  18.342   1.301
  167   2HZ   LYS  19          2HZ       LYS  19  -0.311  18.376   0.490
  168   3HZ   LYS  19          3HZ       LYS  19  -1.517  19.426   0.090
  169    H    SER  20           H        SER  20  -1.133  11.203  -2.285
  170    HA   SER  20           HA       SER  20  -3.071   9.657  -0.920
  171   1HB   SER  20          2HB       SER  20  -3.814  10.538  -3.679
  172   2HB   SER  20          3HB       SER  20  -4.007   8.812  -3.293
  173    HG   SER  20           HG       SER  20  -5.706  10.624  -2.685
  174    H    THR  21           H        THR  21  -1.795   7.911  -0.565
  175    HA   THR  21           HA       THR  21  -0.077   6.908  -2.775
  176    HB   THR  21           HB       THR  21   0.629   7.080   0.188
  177    HG1  THR  21          1HG       THR  21   0.587   9.068  -0.877
  178   1HG2  THR  21          1HG       THR  21   1.706   5.175  -0.925
  179   2HG2  THR  21          2HG       THR  21   2.248   6.242  -2.242
  180   3HG2  THR  21          3HG       THR  21   2.873   6.467  -0.589
  181    H    TRP  22           H        TRP  22  -1.406   5.244  -3.357
  182    HA   TRP  22           HA       TRP  22  -2.279   3.386  -1.177
  183   1HB   TRP  22          2HB       TRP  22  -3.265   4.040  -3.934
  184   2HB   TRP  22          3HB       TRP  22  -3.594   2.453  -3.276
  185    HD1  TRP  22           HD1      TRP  22  -3.602   5.192  -0.692
  186    HE1  TRP  22           HE1      TRP  22  -5.922   5.633   0.134
  187    HE3  TRP  22           HE3      TRP  22  -6.060   2.422  -4.124
  188    HZ2  TRP  22           HZ2      TRP  22  -8.679   5.006  -0.769
  189    HZ3  TRP  22           HZ3      TRP  22  -8.552   2.331  -4.156
  190    HH2  TRP  22           HH2      TRP  22  -9.838   3.673  -2.509
  191    H    LEU  23           H        LEU  23  -2.135   1.034  -1.829
  192    HA   LEU  23           HA       LEU  23  -0.327   0.265  -3.911
  193   1HB   LEU  23          2HB       LEU  23   1.469  -0.620  -2.366
  194   2HB   LEU  23          3HB       LEU  23   1.460   1.108  -2.622
  195    HG   LEU  23           HG       LEU  23   0.122   1.278  -0.361
  196   1HD1  LEU  23          1HD       LEU  23   0.616  -0.605   1.152
  197   2HD1  LEU  23          2HD       LEU  23  -0.402  -1.134  -0.196
  198   3HD1  LEU  23          3HD       LEU  23   1.304  -1.464  -0.257
  199   1HD2  LEU  23          1HD       LEU  23   2.239   2.116  -0.148
  200   2HD2  LEU  23          2HD       LEU  23   2.481   0.617   0.785
  201   3HD2  LEU  23          3HD       LEU  23   3.019   0.707  -0.886
  202    H    ILE  24           H        ILE  24   0.026  -2.127  -3.827
  203    HA   ILE  24           HA       ILE  24  -2.306  -3.346  -2.474
  204    HB   ILE  24           HB       ILE  24  -0.794  -4.235  -5.001
  205   1HG1  ILE  24          2HG       ILE  24  -1.946  -2.280  -5.579
  206   2HG1  ILE  24          3HG       ILE  24  -2.927  -3.653  -6.069
  207   1HG2  ILE  24          1HG       ILE  24  -2.760  -5.760  -5.297
  208   2HG2  ILE  24          2HG       ILE  24  -1.771  -6.170  -3.895
  209   3HG2  ILE  24          3HG       ILE  24  -3.313  -5.319  -3.665
  210   1HD1  ILE  24          1HD       ILE  24  -4.367  -1.918  -5.028
  211   2HD1  ILE  24          2HD       ILE  24  -4.319  -3.320  -3.962
  212   3HD1  ILE  24          3HD       ILE  24  -3.389  -1.868  -3.617
  213    H    LEU  25           H        LEU  25  -1.439  -4.080  -0.607
  214    HA   LEU  25           HA       LEU  25   0.980  -5.785  -0.798
  215   1HB   LEU  25          2HB       LEU  25  -0.045  -3.875   1.279
  216   2HB   LEU  25          3HB       LEU  25   0.908  -5.261   1.819
  217    HG   LEU  25           HG       LEU  25   1.857  -3.408  -0.384
  218   1HD1  LEU  25          1HD       LEU  25   2.826  -2.013   1.166
  219   2HD1  LEU  25          2HD       LEU  25   1.452  -2.520   2.148
  220   3HD1  LEU  25          3HD       LEU  25   3.033  -3.306   2.374
  221   1HD2  LEU  25          1HD       LEU  25   2.970  -5.377  -0.509
  222   2HD2  LEU  25          2HD       LEU  25   4.078  -4.320   0.363
  223   3HD2  LEU  25          3HD       LEU  25   3.162  -5.576   1.249
  224    H    HIS  26           H        HIS  26   0.020  -7.682  -1.297
  225    HA   HIS  26           HA       HIS  26  -0.862  -9.728  -0.709
  226   1HB   HIS  26          2HB       HIS  26  -1.607  -8.583   2.035
  227   2HB   HIS  26          3HB       HIS  26  -1.599 -10.240   1.539
  228    HD1  HIS  26           HD1      HIS  26   0.395 -11.407   2.582
  229    HD2  HIS  26           HD2      HIS  26   1.243  -7.457   1.410
  230    HE1  HIS  26           HE1      HIS  26   2.880 -10.982   3.059
  231    H    HIS  27           H        HIS  27  -2.405  -8.701  -2.493
  232    HA   HIS  27           HA       HIS  27  -4.484  -8.283  -3.240
  233   1HB   HIS  27          2HB       HIS  27  -6.195 -10.024  -2.563
  234   2HB   HIS  27          3HB       HIS  27  -4.714 -10.635  -3.254
  235    HD1  HIS  27           HD1      HIS  27  -6.953 -11.312  -0.479
  236    HD2  HIS  27           HD2      HIS  27  -2.805 -11.469  -1.152
  237    HE1  HIS  27           HE1      HIS  27  -5.957 -12.922   1.280
  238    H    LYS  28           H        LYS  28  -3.934  -6.367  -1.469
  239    HA   LYS  28           HA       LYS  28  -6.546  -5.733  -0.364
  240   1HB   LYS  28          2HB       LYS  28  -4.156  -6.445   1.285
  241   2HB   LYS  28          3HB       LYS  28  -5.016  -4.959   1.753
  242   1HG   LYS  28          2HG       LYS  28  -6.799  -6.081   2.566
  243   2HG   LYS  28          3HG       LYS  28  -6.802  -7.221   1.230
  244   1HD   LYS  28          2HD       LYS  28  -5.047  -8.528   2.161
  245   2HD   LYS  28          3HD       LYS  28  -4.868  -7.480   3.562
  246   1HE   LYS  28          2HE       LYS  28  -6.966  -8.153   4.439
  247   2HE   LYS  28          3HE       LYS  28  -7.580  -8.584   2.837
  248   1HZ   LYS  28          1HZ       LYS  28  -5.546 -10.263   3.080
  249   2HZ   LYS  28          2HZ       LYS  28  -6.054 -10.196   4.650
  250   3HZ   LYS  28          3HZ       LYS  28  -7.107 -10.624   3.446
  251    H    VAL  29           H        VAL  29  -6.491  -3.322   0.313
  252    HA   VAL  29           HA       VAL  29  -4.551  -1.850  -1.352
  253    HB   VAL  29           HB       VAL  29  -7.536  -1.731  -0.964
  254   1HG1  VAL  29          1HG       VAL  29  -6.667   0.463  -0.426
  255   2HG1  VAL  29          2HG       VAL  29  -5.831   0.554  -1.979
  256   3HG1  VAL  29          3HG       VAL  29  -7.622   0.471  -1.917
  257   1HG2  VAL  29          1HG       VAL  29  -5.755  -1.501  -3.331
  258   2HG2  VAL  29          2HG       VAL  29  -6.750  -2.897  -2.866
  259   3HG2  VAL  29          3HG       VAL  29  -7.525  -1.360  -3.372
  260    H    TYR  30           H        TYR  30  -3.229  -0.745  -0.018
  261    HA   TYR  30           HA       TYR  30  -4.220   0.087   2.648
  262   1HB   TYR  30          2HB       TYR  30  -1.554  -0.445   1.365
  263   2HB   TYR  30          3HB       TYR  30  -1.699   0.260   2.928
  264    HD1  TYR  30           HD1      TYR  30  -1.647  -1.141   4.801
  265    HD2  TYR  30           HD2      TYR  30  -2.762  -2.827   1.009
  266    HE1  TYR  30           HE1      TYR  30  -1.789  -3.393   5.827
  267    HE2  TYR  30           HE2      TYR  30  -2.851  -5.041   2.063
  268    HH   TYR  30           HH       TYR  30  -2.121  -5.587   5.513
  269    H    ASP  31           H        ASP  31  -3.113   2.143   3.379
  270    HA   ASP  31           HA       ASP  31  -2.770   4.107   1.184
  271   1HB   ASP  31          2HB       ASP  31  -5.052   4.209   2.175
  272   2HB   ASP  31          3HB       ASP  31  -4.335   4.511   3.759
  273    H    LEU  32           H        LEU  32  -0.579   4.272   1.425
  274    HA   LEU  32           HA       LEU  32   0.434   4.746   4.167
  275   1HB   LEU  32          2HB       LEU  32   2.038   4.382   1.624
  276   2HB   LEU  32          3HB       LEU  32   2.567   4.483   3.309
  277    HG   LEU  32           HG       LEU  32   1.273   2.216   1.859
  278   1HD1  LEU  32          1HD       LEU  32   3.014   0.945   2.831
  279   2HD1  LEU  32          2HD       LEU  32   3.696   2.505   2.549
  280   3HD1  LEU  32          3HD       LEU  32   3.166   2.043   4.204
  281   1HD2  LEU  32          1HD       LEU  32   0.816   1.094   4.038
  282   2HD2  LEU  32          2HD       LEU  32   0.813   2.727   4.789
  283   3HD2  LEU  32          3HD       LEU  32  -0.364   2.268   3.532
  284    H    THR  33           H        THR  33  -1.180   6.595   2.374
  285    HA   THR  33           HA       THR  33   0.498   8.833   1.691
  286    HB   THR  33           HB       THR  33  -2.230   8.177   1.464
  287    HG1  THR  33          1HG       THR  33  -1.721  10.523   0.501
  288   1HG2  THR  33          1HG       THR  33  -2.823   9.544   3.405
  289   2HG2  THR  33          2HG       THR  33  -1.812  10.870   2.737
  290   3HG2  THR  33          3HG       THR  33  -3.306  10.326   1.913
  291    H    LYS  34           H        LYS  34  -1.508   8.174   4.583
  292    HA   LYS  34           HA       LYS  34  -0.367  10.580   5.800
  293   1HB   LYS  34          2HB       LYS  34  -2.794   9.302   6.050
  294   2HB   LYS  34          3HB       LYS  34  -1.962   8.672   7.462
  295   1HG   LYS  34          2HG       LYS  34  -1.568  11.602   7.129
  296   2HG   LYS  34          3HG       LYS  34  -3.266  11.161   7.111
  297   1HD   LYS  34          2HD       LYS  34  -2.522   9.708   9.273
  298   2HD   LYS  34          3HD       LYS  34  -1.228  10.910   9.314
  299   1HE   LYS  34          2HE       LYS  34  -3.747  12.264   8.818
  300   2HE   LYS  34          3HE       LYS  34  -4.011  11.089  10.110
  301   1HZ   LYS  34          1HZ       LYS  34  -1.961  12.076  11.146
  302   2HZ   LYS  34          2HZ       LYS  34  -2.095  13.314  10.069
  303   3HZ   LYS  34          3HZ       LYS  34  -3.306  13.028  11.152
  304    H    PHE  35           H        PHE  35   0.926   7.689   5.160
  305    HA   PHE  35           HA       PHE  35   2.361   7.410   7.686
  306   1HB   PHE  35          2HB       PHE  35   1.035   5.508   6.812
  307   2HB   PHE  35          3HB       PHE  35   1.973   5.555   5.335
  308    HD1  PHE  35          1HD       PHE  35   2.675   5.373   9.012
  309    HD2  PHE  35          2HD       PHE  35   3.640   3.999   5.070
  310    HE1  PHE  35          1HE       PHE  35   4.412   3.898   9.960
  311    HE2  PHE  35          2HE       PHE  35   5.093   2.263   5.967
  312    HZ   PHE  35           HZ       PHE  35   5.573   2.284   8.514
  313    H    LEU  36           H        LEU  36   2.599   8.497   4.426
  314    HA   LEU  36           HA       LEU  36   5.265   7.858   3.754
  315   1HB   LEU  36          2HB       LEU  36   3.457  10.299   3.262
  316   2HB   LEU  36          3HB       LEU  36   5.126  10.311   2.698
  317    HG   LEU  36           HG       LEU  36   2.854   8.543   1.755
  318   1HD1  LEU  36          1HD       LEU  36   4.706  10.401   0.250
  319   2HD1  LEU  36          2HD       LEU  36   3.263   9.569  -0.354
  320   3HD1  LEU  36          3HD       LEU  36   3.085  10.838   0.871
  321   1HD2  LEU  36          1HD       LEU  36   5.818   8.122   1.576
  322   2HD2  LEU  36          2HD       LEU  36   4.466   6.963   1.674
  323   3HD2  LEU  36          3HD       LEU  36   4.839   7.797   0.138
  324    H    GLU  37           H        GLU  37   4.253  10.442   5.891
  325    HA   GLU  37           HA       GLU  37   7.134  10.807   6.487
  326   1HB   GLU  37          2HB       GLU  37   4.620  12.396   7.128
  327   2HB   GLU  37          3HB       GLU  37   6.197  12.785   7.850
  328   1HG   GLU  37          2HG       GLU  37   7.212  13.147   5.702
  329   2HG   GLU  37          3HG       GLU  37   5.757  12.617   4.845
  330    H    GLU  38           H        GLU  38   5.676   8.391   7.290
  331    HA   GLU  38           HA       GLU  38   6.012   8.609  10.243
  332   1HB   GLU  38          2HB       GLU  38   4.104   7.029   8.585
  333   2HB   GLU  38          3HB       GLU  38   4.430   6.615  10.251
  334   1HG   GLU  38          2HG       GLU  38   3.787   9.134  10.698
  335   2HG   GLU  38          3HG       GLU  38   2.977   9.011   9.133
  336    H    HIS  39           HN       HIS  39   6.592   6.683   7.354
  337    HA   HIS  39           HA       HIS  39   7.520   4.408   8.482
  338   1HB   HIS  39          2HB       HIS  39   7.499   5.530   5.930
  339   2HB   HIS  39          3HB       HIS  39   9.198   5.460   6.293
  340    HD1  HIS  39           HND      HIS  39   9.222   3.875   4.112
  341    HD2  HIS  39           HD       HIS  39   7.467   2.239   7.524
  342    HE1  HIS  39           HE       HIS  39   9.266   1.469   3.753
  343    HA   PRO  40           HA       PRO  40  11.128   5.383  10.729
  344   1HB   PRO  40          2HB       PRO  40  12.882   3.258  10.159
  345   2HB   PRO  40          3HB       PRO  40  11.478   3.189  11.267
  346   1HG   PRO  40          2HG       PRO  40  11.739   2.020   8.564
  347   2HG   PRO  40          3HG       PRO  40  10.589   1.670   9.892
  348   1HD   PRO  40          2HD       PRO  40  10.157   3.165   7.539
  349   2HD   PRO  40          3HD       PRO  40   9.016   2.858   8.906
  350    H    GLY  41           H        GLY  41  11.850   4.443   7.419
  351   1HA   GLY  41          2HA       GLY  41  13.416   6.812   6.922
  352   2HA   GLY  41          3HA       GLY  41  14.417   5.355   7.015
  353    H    GLY  42           H        GLY  42  11.018   4.793   5.760
  354   1HA   GLY  42          2HA       GLY  42  12.169   5.415   3.067
  355   2HA   GLY  42          3HA       GLY  42  11.154   4.018   3.387
  356    H    GLU  43           H        GLU  43  11.139   6.947   2.119
  357    HA   GLU  43           HA       GLU  43   8.131   7.098   2.440
  358   1HB   GLU  43          2HB       GLU  43   8.350   9.430   1.814
  359   2HB   GLU  43          3HB       GLU  43   9.038   8.991   3.378
  360   1HG   GLU  43          2HG       GLU  43  11.128   9.616   2.803
  361   2HG   GLU  43          3HG       GLU  43  11.066   8.866   1.233
  362    H    GLU  44           H        GLU  44  10.874   7.403   0.146
  363    HA   GLU  44           HA       GLU  44   9.179   7.825  -2.149
  364   1HB   GLU  44          2HB       GLU  44  11.147   7.651  -3.443
  365   2HB   GLU  44          3HB       GLU  44  11.634   8.372  -1.894
  366   1HG   GLU  44          2HG       GLU  44  12.084   5.752  -1.308
  367   2HG   GLU  44          3HG       GLU  44  12.311   5.685  -3.059
  368    H    VAL  45           H        VAL  45  10.598   4.982  -0.581
  369    HA   VAL  45           HA       VAL  45   9.950   3.075  -2.589
  370    HB   VAL  45           HB       VAL  45   9.695   1.512  -0.641
  371   1HG1  VAL  45          1HG       VAL  45  12.307   2.963  -0.341
  372   2HG1  VAL  45          2HG       VAL  45  11.966   1.228  -0.549
  373   3HG1  VAL  45          3HG       VAL  45  11.869   2.328  -1.929
  374   1HG2  VAL  45          1HG       VAL  45  10.902   3.467   1.242
  375   2HG2  VAL  45          2HG       VAL  45   9.194   3.715   0.927
  376   3HG2  VAL  45          3HG       VAL  45   9.748   2.148   1.532
  377    H    LEU  46           H        LEU  46   7.908   4.969  -0.540
  378    HA   LEU  46           HA       LEU  46   5.686   2.874  -0.780
  379   1HB   LEU  46          2HB       LEU  46   5.453   5.648   0.304
  380   2HB   LEU  46          3HB       LEU  46   4.364   4.267   0.559
  381    HG   LEU  46           HG       LEU  46   7.086   4.884   1.755
  382   1HD1  LEU  46          1HD       LEU  46   5.791   4.919   3.619
  383   2HD1  LEU  46          2HD       LEU  46   4.452   4.366   2.679
  384   3HD1  LEU  46          3HD       LEU  46   5.474   3.075   3.425
  385   1HD2  LEU  46          1HD       LEU  46   5.939   2.081   1.739
  386   2HD2  LEU  46          2HD       LEU  46   7.366   2.515   0.823
  387   3HD2  LEU  46          3HD       LEU  46   7.445   2.796   2.563
  388    H    ARG  47           H        ARG  47   6.963   5.553  -2.450
  389    HA   ARG  47           HA       ARG  47   4.605   5.937  -4.147
  390   1HB   ARG  47          2HB       ARG  47   6.953   7.506  -3.281
  391   2HB   ARG  47          3HB       ARG  47   6.758   7.538  -5.037
  392   1HG   ARG  47          2HG       ARG  47   4.554   8.374  -4.913
  393   2HG   ARG  47          3HG       ARG  47   4.406   8.032  -3.176
  394   1HD   ARG  47          2HD       ARG  47   5.422   9.944  -2.565
  395   2HD   ARG  47          3HD       ARG  47   6.721   9.742  -3.756
  396    HE   ARG  47           HE       ARG  47   4.267  10.471  -5.032
  397   1HH1  ARG  47          2HH       ARG  47   6.913  11.804  -3.108
  398   2HH1  ARG  47          1HH       ARG  47   6.802  13.405  -3.738
  399   1HH2  ARG  47          2HH       ARG  47   4.097  12.599  -5.925
  400   2HH2  ARG  47          1HH       ARG  47   5.136  13.872  -5.380
  401    H    GLU  48           H        GLU  48   7.744   4.306  -4.089
  402    HA   GLU  48           HA       GLU  48   7.997   4.177  -6.967
  403   1HB   GLU  48          2HB       GLU  48   9.509   3.317  -4.589
  404   2HB   GLU  48          3HB       GLU  48   9.452   2.047  -5.806
  405   1HG   GLU  48          2HG       GLU  48  10.098   3.922  -7.495
  406   2HG   GLU  48          3HG       GLU  48  10.548   4.862  -6.063
  407    H    GLN  49           H        GLN  49   6.269   2.447  -4.491
  408    HA   GLN  49           HA       GLN  49   5.419   0.431  -6.522
  409   1HB   GLN  49          2HB       GLN  49   5.377   0.307  -3.486
  410   2HB   GLN  49          3HB       GLN  49   4.884  -0.982  -4.613
  411   1HG   GLN  49          2HG       GLN  49   7.717   0.152  -4.545
  412   2HG   GLN  49          3HG       GLN  49   7.188  -1.213  -3.576
  413   1HE2  GLN  49          1HE       GLN  49   9.023  -2.268  -4.872
  414   2HE2  GLN  49          2HE       GLN  49   8.484  -3.010  -6.382
  415    H    ALA  50           H        ALA  50   4.473   3.298  -5.308
  416    HA   ALA  50           HA       ALA  50   1.928   3.077  -4.309
  417   1HB   ALA  50          1HB       ALA  50   2.358   5.300  -4.478
  418   2HB   ALA  50          2HB       ALA  50   3.385   5.081  -5.924
  419   3HB   ALA  50          3HB       ALA  50   1.647   5.157  -6.093
  420    H    GLY  51           H        GLY  51  -0.095   2.727  -5.133
  421   1HA   GLY  51          2HA       GLY  51  -1.637   1.622  -6.360
  422   2HA   GLY  51          3HA       GLY  51  -1.138   2.685  -7.691
  423    H    GLY  52           H        GLY  52   0.937   0.231  -6.095
  424   1HA   GLY  52          2HA       GLY  52   0.797  -1.568  -8.428
  425   2HA   GLY  52          3HA       GLY  52   2.318  -0.757  -7.963
  426    H    ASP  53           H        ASP  53   2.750  -3.305  -7.821
  427    HA   ASP  53           HA       ASP  53   1.810  -4.495  -5.358
  428   1HB   ASP  53          2HB       ASP  53   3.670  -6.193  -6.492
  429   2HB   ASP  53          3HB       ASP  53   1.924  -6.234  -6.735
  430    H    ALA  54           H        ALA  54   2.812  -3.909  -3.558
  431    HA   ALA  54           HA       ALA  54   5.771  -3.460  -3.725
  432   1HB   ALA  54          1HB       ALA  54   5.609  -2.012  -1.960
  433   2HB   ALA  54          2HB       ALA  54   4.070  -1.672  -2.772
  434   3HB   ALA  54          3HB       ALA  54   4.087  -2.714  -1.351
  435    H    THR  55           H        THR  55   3.549  -5.949  -2.997
  436    HA   THR  55           HA       THR  55   4.372  -6.898  -0.540
  437    HB   THR  55           HB       THR  55   3.491  -8.285  -3.124
  438    HG1  THR  55          1HG       THR  55   2.131  -7.531  -0.782
  439   1HG2  THR  55          1HG       THR  55   3.584  -9.244  -0.248
  440   2HG2  THR  55          2HG       THR  55   2.574  -9.999  -1.513
  441   3HG2  THR  55          3HG       THR  55   4.346 -10.001  -1.670
  442    H    GLU  56           H        GLU  56   5.851  -7.484  -3.760
  443    HA   GLU  56           HA       GLU  56   7.795  -9.347  -2.965
  444   1HB   GLU  56          2HB       GLU  56   9.142  -8.418  -4.830
  445   2HB   GLU  56          3HB       GLU  56   7.473  -8.766  -5.298
  446   1HG   GLU  56          2HG       GLU  56   6.863  -6.429  -5.249
  447   2HG   GLU  56          3HG       GLU  56   8.384  -5.961  -4.499
  448    H    ASN  57           H        ASN  57   7.624  -5.854  -2.467
  449    HA   ASN  57           HA       ASN  57  10.343  -5.623  -1.471
  450   1HB   ASN  57          2HB       ASN  57   8.160  -3.788  -2.099
  451   2HB   ASN  57          3HB       ASN  57   8.671  -3.523  -0.433
  452   1HD2  ASN  57          1HD       ASN  57  11.235  -3.673  -0.190
  453   2HD2  ASN  57          2HD       ASN  57  12.068  -2.695  -1.386
  454    H    PHE  58           H        PHE  58   7.122  -5.291  -0.069
  455    HA   PHE  58           HA       PHE  58   7.797  -5.181   2.693
  456   1HB   PHE  58          2HB       PHE  58   5.492  -5.440   1.570
  457   2HB   PHE  58          3HB       PHE  58   5.706  -7.170   1.797
  458    HD1  PHE  58          1HD       PHE  58   4.552  -8.022   3.646
  459    HD2  PHE  58          2HD       PHE  58   6.122  -4.010   3.841
  460    HE1  PHE  58          1HE       PHE  58   3.576  -7.746   5.902
  461    HE2  PHE  58          2HE       PHE  58   5.179  -3.746   6.114
  462    HZ   PHE  58           HZ       PHE  58   3.902  -5.611   7.150
  463    H    GLU  59           H        GLU  59   7.714  -8.220   0.855
  464    HA   GLU  59           HA       GLU  59   8.593  -9.887   3.069
  465   1HB   GLU  59          2HB       GLU  59   7.868 -10.187   0.194
  466   2HB   GLU  59          3HB       GLU  59   9.112 -11.301   0.733
  467   1HG   GLU  59          2HG       GLU  59   6.520 -10.848   2.271
  468   2HG   GLU  59          3HG       GLU  59   6.680 -12.077   1.011
  469    H    ASP  60           H        ASP  60  10.205  -8.707   0.047
  470    HA   ASP  60           HA       ASP  60  12.724  -9.783   0.353
  471   1HB   ASP  60          2HB       ASP  60  11.646  -7.303  -0.916
  472   2HB   ASP  60          3HB       ASP  60  13.305  -7.179  -0.447
  473    H    VAL  61           H        VAL  61  11.526  -6.756   1.686
  474    HA   VAL  61           HA       VAL  61  13.676  -5.858   2.949
  475    HB   VAL  61           HB       VAL  61  10.811  -5.530   3.783
  476   1HG1  VAL  61          1HG       VAL  61  12.025  -5.115   5.820
  477   2HG1  VAL  61          2HG       VAL  61  13.311  -4.245   4.958
  478   3HG1  VAL  61          3HG       VAL  61  11.688  -3.534   5.117
  479   1HG2  VAL  61          1HG       VAL  61  12.846  -3.884   2.221
  480   2HG2  VAL  61          2HG       VAL  61  11.259  -4.458   1.701
  481   3HG2  VAL  61          3HG       VAL  61  11.361  -3.180   2.893
  482    H    GLY  62           H        GLY  62  11.125  -7.960   4.262
  483   1HA   GLY  62          2HA       GLY  62  11.435  -9.825   5.647
  484   2HA   GLY  62          3HA       GLY  62  12.988  -9.181   6.207
  485    H    HIS  63           HN       HIS  63   9.847  -7.467   5.998
  486    HA   HIS  63           HA       HIS  63  10.344  -5.865   8.092
  487   1HB   HIS  63          2HB       HIS  63   7.759  -6.771   6.812
  488   2HB   HIS  63          3HB       HIS  63   7.628  -5.785   8.240
  489    HD1  HIS  63           HND      HIS  63   8.841  -5.565   4.688
  490    HD2  HIS  63           HD       HIS  63   8.018  -3.145   8.010
  491    HE1  HIS  63           HE       HIS  63   8.843  -3.209   3.831
  492    H    SER  64           H        SER  64   9.699  -5.560  10.217
  493    HA   SER  64           HA       SER  64   9.451  -7.889  11.883
  494   1HB   SER  64          2HB       SER  64  10.604  -5.779  12.543
  495   2HB   SER  64          3HB       SER  64   9.035  -4.942  12.509
  496    HG   SER  64           HG       SER  64   9.606  -5.619  14.592
  497    H    THR  65           H        THR  65   7.677  -7.885  13.621
  498    HA   THR  65           HA       THR  65   5.133  -8.185  12.267
  499    HB   THR  65           HB       THR  65   6.123  -8.569  15.126
  500    HG1  THR  65          1HG       THR  65   5.540 -10.275  12.941
  501   1HG2  THR  65          1HG       THR  65   3.969  -8.611  15.725
  502   2HG2  THR  65          2HG       THR  65   3.383  -8.577  14.050
  503   3HG2  THR  65          3HG       THR  65   3.840 -10.121  14.791
  504    H    ASP  66           H        ASP  66   6.526  -5.972  14.692
  505    HA   ASP  66           HA       ASP  66   4.184  -4.541  15.359
  506   1HB   ASP  66          2HB       ASP  66   7.018  -4.248  15.761
  507   2HB   ASP  66          3HB       ASP  66   6.481  -2.747  15.027
  508    H    ALA  67           H        ALA  67   6.104  -4.617  12.458
  509    HA   ALA  67           HA       ALA  67   5.093  -2.149  11.312
  510   1HB   ALA  67          1HB       ALA  67   6.697  -2.556   9.763
  511   2HB   ALA  67          2HB       ALA  67   7.263  -3.856  10.808
  512   3HB   ALA  67          3HB       ALA  67   6.156  -4.206   9.461
  513    H    ARG  68           H        ARG  68   4.489  -5.722  10.762
  514    HA   ARG  68           HA       ARG  68   2.552  -5.469   8.890
  515   1HB   ARG  68          2HB       ARG  68   3.356  -7.603   9.615
  516   2HB   ARG  68          3HB       ARG  68   2.790  -7.392  11.262
  517   1HG   ARG  68          2HG       ARG  68   0.660  -7.233   9.177
  518   2HG   ARG  68          3HG       ARG  68   1.429  -8.801   9.382
  519   1HD   ARG  68          2HD       ARG  68   1.005  -8.715  11.832
  520   2HD   ARG  68          3HD       ARG  68   0.148  -7.196  11.652
  521    HE   ARG  68           HE       ARG  68  -0.759  -9.870  10.951
  522   1HH1  ARG  68          2HH       ARG  68  -1.244  -6.402  10.312
  523   2HH1  ARG  68          1HH       ARG  68  -2.865  -6.571   9.768
  524   1HH2  ARG  68          2HH       ARG  68  -2.922 -10.123  10.158
  525   2HH2  ARG  68          1HH       ARG  68  -3.841  -8.752   9.659
  526    H    GLU  69           H        GLU  69   2.367  -4.902  12.471
  527    HA   GLU  69           HA       GLU  69  -0.491  -4.863  12.767
  528   1HB   GLU  69          2HB       GLU  69   1.811  -3.763  14.380
  529   2HB   GLU  69          3HB       GLU  69   0.201  -3.153  14.697
  530   1HG   GLU  69          2HG       GLU  69  -0.108  -5.962  14.530
  531   2HG   GLU  69          3HG       GLU  69   1.388  -5.713  15.432
  532    H    LEU  70           H        LEU  70   1.808  -2.015  12.295
  533    HA   LEU  70           HA       LEU  70  -0.215  -0.108  12.131
  534   1HB   LEU  70          2HB       LEU  70   2.469  -0.538  10.821
  535   2HB   LEU  70          3HB       LEU  70   1.531   0.898  10.562
  536    HG   LEU  70           HG       LEU  70   1.862   0.306  13.427
  537   1HD1  LEU  70          1HD       LEU  70   4.336   1.129  13.294
  538   2HD1  LEU  70          2HD       LEU  70   3.979  -0.556  12.986
  539   3HD1  LEU  70          3HD       LEU  70   4.293   0.526  11.618
  540   1HD2  LEU  70          1HD       LEU  70   2.746   2.710  13.300
  541   2HD2  LEU  70          2HD       LEU  70   2.334   2.662  11.582
  542   3HD2  LEU  70          3HD       LEU  70   1.064   2.428  12.808
  543    H    SER  71           H        SER  71   1.028  -2.461   9.648
  544    HA   SER  71           HA       SER  71  -0.339  -1.450   7.525
  545   1HB   SER  71          2HB       SER  71   0.175  -3.335   6.424
  546   2HB   SER  71          3HB       SER  71   1.092  -3.683   7.888
  547    HG   SER  71           HG       SER  71  -0.139  -5.418   7.315
  548    H    LYS  72           H        LYS  72  -1.731  -2.942  10.241
  549    HA   LYS  72           HA       LYS  72  -4.291  -3.639   9.180
  550   1HB   LYS  72          2HB       LYS  72  -3.131  -4.298  11.427
  551   2HB   LYS  72          3HB       LYS  72  -3.763  -2.753  12.042
  552   1HG   LYS  72          2HG       LYS  72  -6.063  -3.546  11.176
  553   2HG   LYS  72          3HG       LYS  72  -5.286  -5.126  10.925
  554   1HD   LYS  72          2HD       LYS  72  -4.474  -4.536  13.493
  555   2HD   LYS  72          3HD       LYS  72  -6.058  -3.733  13.452
  556   1HE   LYS  72          2HE       LYS  72  -7.111  -5.852  12.717
  557   2HE   LYS  72          3HE       LYS  72  -5.517  -6.620  12.633
  558   1HZ   LYS  72          1HZ       LYS  72  -6.454  -7.228  14.681
  559   2HZ   LYS  72          2HZ       LYS  72  -5.311  -6.098  15.044
  560   3HZ   LYS  72          3HZ       LYS  72  -6.903  -5.688  15.054
  561    H    THR  73           H        THR  73  -3.117  -0.663  10.868
  562    HA   THR  73           HA       THR  73  -5.705   0.651  10.462
  563    HB   THR  73           HB       THR  73  -4.181   0.979  12.467
  564    HG1  THR  73          1HG       THR  73  -5.914   2.349  12.089
  565   1HG2  THR  73          1HG       THR  73  -2.055   1.433  11.278
  566   2HG2  THR  73          2HG       THR  73  -2.788   2.921  10.613
  567   3HG2  THR  73          3HG       THR  73  -2.527   2.761  12.345
  568    H    PHE  74           H        PHE  74  -3.310  -0.184   8.331
  569    HA   PHE  74           HA       PHE  74  -3.345   2.377   6.824
  570   1HB   PHE  74          2HB       PHE  74  -1.807  -0.215   6.648
  571   2HB   PHE  74          3HB       PHE  74  -1.677   1.051   5.432
  572    HD1  PHE  74          1HD       PHE  74   0.721   0.616   6.040
  573    HD2  PHE  74          2HD       PHE  74  -2.080   2.501   8.674
  574    HE1  PHE  74          1HE       PHE  74   2.568   1.691   7.246
  575    HE2  PHE  74          2HE       PHE  74  -0.238   3.358  10.059
  576    HZ   PHE  74           HZ       PHE  74   2.061   2.901   9.377
  577    H    ILE  75           H        ILE  75  -4.469  -1.015   6.699
  578    HA   ILE  75           HA       ILE  75  -5.243  -1.004   3.992
  579    HB   ILE  75           HB       ILE  75  -5.406  -2.718   6.243
  580   1HG1  ILE  75          2HG       ILE  75  -6.456  -3.393   3.505
  581   2HG1  ILE  75          3HG       ILE  75  -4.749  -3.033   3.745
  582   1HG2  ILE  75          1HG       ILE  75  -7.725  -2.026   6.641
  583   2HG2  ILE  75          2HG       ILE  75  -8.144  -2.378   4.940
  584   3HG2  ILE  75          3HG       ILE  75  -7.680  -3.681   6.040
  585   1HD1  ILE  75          1HD       ILE  75  -4.511  -4.759   5.431
  586   2HD1  ILE  75          2HD       ILE  75  -6.236  -5.143   5.369
  587   3HD1  ILE  75          3HD       ILE  75  -5.203  -5.441   3.967
  588    H    ILE  76           H        ILE  76  -6.825  -0.109   2.944
  589    HA   ILE  76           HA       ILE  76  -8.995   1.297   4.428
  590    HB   ILE  76           HB       ILE  76  -9.000   2.977   2.641
  591   1HG1  ILE  76          2HG       ILE  76  -6.681   2.985   1.252
  592   2HG1  ILE  76          3HG       ILE  76  -6.749   1.277   1.525
  593   1HG2  ILE  76          1HG       ILE  76  -7.731   3.337   4.714
  594   2HG2  ILE  76          2HG       ILE  76  -6.277   2.698   3.918
  595   3HG2  ILE  76          3HG       ILE  76  -7.039   4.180   3.313
  596   1HD1  ILE  76          1HD       ILE  76  -8.863   1.138   0.370
  597   2HD1  ILE  76          2HD       ILE  76  -9.081   2.917   0.457
  598   3HD1  ILE  76          3HD       ILE  76  -7.833   2.195  -0.563
  599    H    GLY  77           H        GLY  77  -8.320  -1.395   2.552
  600   1HA   GLY  77          2HA       GLY  77 -10.781  -2.353   2.169
  601   2HA   GLY  77          3HA       GLY  77 -10.630  -1.220   0.799
  602    H    GLU  78           H        GLU  78 -10.559  -2.924  -0.770
  603    HA   GLU  78           HA       GLU  78  -7.977  -4.216  -1.082
  604   1HB   GLU  78          2HB       GLU  78 -10.618  -5.755  -1.145
  605   2HB   GLU  78          3HB       GLU  78  -8.999  -6.368  -1.556
  606   1HG   GLU  78          2HG       GLU  78  -8.355  -5.620   0.847
  607   2HG   GLU  78          3HG       GLU  78 -10.086  -5.508   1.158
  608    H    LEU  79           H        LEU  79  -7.682  -4.910  -3.360
  609    HA   LEU  79           HA       LEU  79  -9.430  -3.297  -5.120
  610   1HB   LEU  79          2HB       LEU  79  -7.749  -3.269  -6.695
  611   2HB   LEU  79          3HB       LEU  79  -6.950  -2.971  -5.154
  612    HG   LEU  79           HG       LEU  79  -6.977  -5.555  -6.764
  613   1HD1  LEU  79          1HD       LEU  79  -4.464  -4.925  -6.776
  614   2HD1  LEU  79          2HD       LEU  79  -5.563  -4.090  -7.836
  615   3HD1  LEU  79          3HD       LEU  79  -5.082  -3.278  -6.395
  616   1HD2  LEU  79          1HD       LEU  79  -5.726  -4.910  -4.049
  617   2HD2  LEU  79          2HD       LEU  79  -6.820  -6.253  -4.458
  618   3HD2  LEU  79          3HD       LEU  79  -5.185  -6.251  -5.083
  619    H    HIS  80           H        HIS  80 -10.316  -4.241  -7.003
  620    HA   HIS  80           HA       HIS  80 -11.569  -6.672  -6.699
  621   1HB   HIS  80          2HB       HIS  80 -10.870  -5.084  -9.192
  622   2HB   HIS  80          3HB       HIS  80 -11.727  -6.615  -9.299
  623    HD1  HIS  80           HD1      HIS  80 -14.049  -5.695 -10.084
  624    HD2  HIS  80           HD2      HIS  80 -12.553  -4.017  -6.529
  625    HE1  HIS  80           HE1      HIS  80 -15.946  -4.310  -9.054
  626    HA   PRO  81           HA       PRO  81  -8.470  -9.618  -7.542
  627   1HB   PRO  81          2HB       PRO  81 -10.009 -11.792  -8.369
  628   2HB   PRO  81          3HB       PRO  81  -9.801 -11.269  -6.673
  629   1HG   PRO  81          2HG       PRO  81 -12.158 -10.916  -8.466
  630   2HG   PRO  81          3HG       PRO  81 -12.080 -10.946  -6.678
  631   1HD   PRO  81          2HD       PRO  81 -12.256  -8.660  -8.384
  632   2HD   PRO  81          3HD       PRO  81 -12.013  -8.677  -6.611
  633    H    ASP  82           H        ASP  82 -10.424  -8.309 -10.018
  634    HA   ASP  82           HA       ASP  82  -9.812  -9.720 -12.310
  635   1HB   ASP  82          2HB       ASP  82 -10.974  -7.282 -11.706
  636   2HB   ASP  82          3HB       ASP  82  -9.488  -6.749 -12.477
  637    H    ASP  83           H        ASP  83  -7.796  -7.424 -10.480
  638    HA   ASP  83           HA       ASP  83  -5.501  -7.863 -12.302
  639   1HB   ASP  83          2HB       ASP  83  -6.314  -5.634 -11.373
  640   2HB   ASP  83          3HB       ASP  83  -5.519  -6.113  -9.855
  641    H    ARG  84           H        ARG  84  -6.354 -10.103 -10.864
  642    HA   ARG  84           HA       ARG  84  -4.139 -10.395  -8.842
  643   1HB   ARG  84          2HB       ARG  84  -6.575 -10.647  -8.065
  644   2HB   ARG  84          3HB       ARG  84  -6.626 -12.118  -9.046
  645   1HG   ARG  84          2HG       ARG  84  -5.991 -13.100  -7.115
  646   2HG   ARG  84          3HG       ARG  84  -4.372 -12.656  -7.650
  647   1HD   ARG  84          2HD       ARG  84  -6.029 -10.723  -5.987
  648   2HD   ARG  84          3HD       ARG  84  -5.197 -12.057  -5.210
  649    HE   ARG  84           HE       ARG  84  -4.015  -9.672  -6.414
  650   1HH1  ARG  84          2HH       ARG  84  -3.429 -13.002  -5.404
  651   2HH1  ARG  84          1HH       ARG  84  -1.725 -12.829  -5.185
  652   1HH2  ARG  84          2HH       ARG  84  -1.704  -9.401  -6.152
  653   2HH2  ARG  84          1HH       ARG  84  -0.727 -10.719  -5.622
  654    H    SER  85           H        SER  85  -5.867 -11.926 -11.539
  655    HA   SER  85           HA       SER  85  -3.487 -13.679 -11.954
  656   1HB   SER  85          2HB       SER  85  -4.966 -15.514 -12.600
  657   2HB   SER  85          3HB       SER  85  -5.175 -15.045 -10.907
  658    HG   SER  85           HG       SER  85  -6.982 -13.654 -11.982
  659    H    LYS  86           H        LYS  86  -3.373 -11.441 -13.172
  660    HA   LYS  86           HA       LYS  86  -3.954 -12.149 -15.981
  661   1HB   LYS  86          2HB       LYS  86  -5.408 -10.071 -14.462
  662   2HB   LYS  86          3HB       LYS  86  -4.618  -9.397 -15.863
  663   1HG   LYS  86          2HG       LYS  86  -6.035 -11.992 -16.368
  664   2HG   LYS  86          3HG       LYS  86  -7.078 -10.686 -15.849
  665   1HD   LYS  86          2HD       LYS  86  -7.035  -9.753 -17.878
  666   2HD   LYS  86          3HD       LYS  86  -5.285  -9.608 -17.851
  667   1HE   LYS  86          2HE       LYS  86  -5.127 -11.099 -19.463
  668   2HE   LYS  86          3HE       LYS  86  -5.694 -12.344 -18.346
  669   1HZ   LYS  86          1HZ       LYS  86  -7.512 -10.625 -19.905
  670   2HZ   LYS  86          2HZ       LYS  86  -7.000 -12.098 -20.431
  671   3HZ   LYS  86          3HZ       LYS  86  -7.905 -11.980 -19.057
  672    H    LEU  87           H        LEU  87  -2.522  -9.738 -13.760
  673    HA   LEU  87           HA       LEU  87  -0.795  -8.470 -15.430
  674   1HB   LEU  87          2HB       LEU  87  -0.017  -9.502 -12.663
  675   2HB   LEU  87          3HB       LEU  87   0.732  -8.193 -13.557
  676    HG   LEU  87           HG       LEU  87  -1.756  -7.220 -13.605
  677   1HD1  LEU  87          1HD       LEU  87  -2.243  -7.896 -10.908
  678   2HD1  LEU  87          2HD       LEU  87  -3.204  -8.362 -12.316
  679   3HD1  LEU  87          3HD       LEU  87  -1.942  -9.451 -11.693
  680   1HD2  LEU  87          1HD       LEU  87  -1.164  -5.805 -11.762
  681   2HD2  LEU  87          2HD       LEU  87  -0.012  -6.997 -11.121
  682   3HD2  LEU  87          3HD       LEU  87   0.312  -6.168 -12.661
  683    H    SER  88           H        SER  88   0.934  -8.976 -16.659
  684    HA   SER  88           HA       SER  88   2.809 -11.005 -16.102
  685   1HB   SER  88          2HB       SER  88   0.503 -12.252 -16.855
  686   2HB   SER  88          3HB       SER  88   1.179 -11.946 -18.454
  687    HG   SER  88           HG       SER  88   2.568 -13.144 -16.284
  688    H    LYS  89           H        LYS  89   4.087  -9.195 -16.674
  689    HA   LYS  89           HA       LYS  89   5.295  -7.844 -18.070
  690   1HB   LYS  89          2HB       LYS  89   5.952  -9.903 -19.064
  691   2HB   LYS  89          3HB       LYS  89   4.533  -9.984 -20.104
  692   1HG   LYS  89          2HG       LYS  89   5.290  -8.395 -21.577
  693   2HG   LYS  89          3HG       LYS  89   6.151  -7.484 -20.322
  694   1HD   LYS  89          2HD       LYS  89   7.686  -9.702 -20.301
  695   2HD   LYS  89          3HD       LYS  89   7.046  -9.830 -21.958
  696   1HE   LYS  89          2HE       LYS  89   7.780  -7.486 -22.378
  697   2HE   LYS  89          3HE       LYS  89   8.403  -7.383 -20.722
  698   1HZ   LYS  89          1HZ       LYS  89  10.173  -8.643 -21.246
  699   2HZ   LYS  89          2HZ       LYS  89   9.350  -9.604 -22.304
  700   3HZ   LYS  89          3HZ       LYS  89   9.867  -8.122 -22.787
  701    HA   PRO  90           HA       PRO  90   1.419  -5.812 -19.533
  702   1HB   PRO  90          2HB       PRO  90   1.466  -3.687 -17.724
  703   2HB   PRO  90          3HB       PRO  90   0.571  -5.213 -17.494
  704   1HG   PRO  90          2HG       PRO  90   3.070  -4.307 -16.157
  705   2HG   PRO  90          3HG       PRO  90   1.873  -5.525 -15.635
  706   1HD   PRO  90          2HD       PRO  90   4.421  -5.992 -16.863
  707   2HD   PRO  90          3HD       PRO  90   3.162  -7.189 -16.453
  708    H    MET  91           H        MET  91   4.253  -4.038 -18.151
  709    HA   MET  91           HA       MET  91   4.132  -2.068 -20.299
  710   1HB   MET  91          2HB       MET  91   5.383  -2.294 -17.677
  711   2HB   MET  91          3HB       MET  91   6.638  -1.976 -18.877
  712   1HG   MET  91          2HG       MET  91   5.024  -0.141 -19.774
  713   2HG   MET  91          3HG       MET  91   4.178  -0.343 -18.238
  714   1HE   MET  91          1HE       MET  91   8.125   0.099 -19.460
  715   2HE   MET  91          2HE       MET  91   6.863   1.045 -20.283
  716   3HE   MET  91          3HE       MET  91   8.016   1.857 -19.208
  717    H    GLU  92           H        GLU  92   5.449  -1.977 -22.104
  718    HA   GLU  92           HA       GLU  92   7.921  -3.338 -22.416
  719   1HB   GLU  92          2HB       GLU  92   6.485  -5.380 -22.500
  720   2HB   GLU  92          3HB       GLU  92   5.504  -4.609 -23.742
  721   1HG   GLU  92          2HG       GLU  92   7.962  -4.475 -24.974
  722   2HG   GLU  92          3HG       GLU  92   8.329  -5.714 -23.813
  723    H    THR  93           H        THR  93   7.803  -0.831 -22.899
  724    HA   THR  93           HA       THR  93   7.867  -0.647 -25.783
  725    HB   THR  93           HB       THR  93   5.869   0.966 -24.125
  726    HG1  THR  93          1HG       THR  93   5.740  -1.006 -26.073
  727   1HG2  THR  93          1HG       THR  93   7.106   1.634 -26.774
  728   2HG2  THR  93          2HG       THR  93   5.348   1.782 -26.645
  729   3HG2  THR  93          3HG       THR  93   6.383   2.695 -25.533
  730    H    LEU  94           H        LEU  94   9.149   1.168 -26.383
  731    HA   LEU  94           HA       LEU  94  11.380   1.791 -24.861
  732   1HB   LEU  94          2HB       LEU  94  11.461   2.152 -27.179
  733   2HB   LEU  94          3HB       LEU  94   9.975   3.099 -27.199
  734    HG   LEU  94           HG       LEU  94  11.151   4.985 -26.089
  735   1HD1  LEU  94          1HD       LEU  94  13.791   4.771 -26.293
  736   2HD1  LEU  94          2HD       LEU  94  12.988   4.161 -24.876
  737   3HD1  LEU  94          3HD       LEU  94  13.461   3.023 -26.142
  738   1HD2  LEU  94          1HD       LEU  94  12.933   5.034 -28.238
  739   2HD2  LEU  94          2HD       LEU  94  11.655   3.945 -28.789
  740   3HD2  LEU  94          3HD       LEU  94  11.258   5.580 -28.231
  741    HHA  HEM  95          MHG       HEM  95  12.160  -0.694   8.230
  742    HHB  HEM  95          MHD       HEM  95   5.909  -0.057   9.582
  743    HHC  HEM  95          MHA       HEM  95   4.633  -0.937   3.347
  744    HHD  HEM  95          MHB       HEM  95  10.844  -0.756   1.988
  745   1HMA  HEM  95          1HM       HEM  95   7.731   0.638  11.718
  746   2HMA  HEM  95          2HM       HEM  95   6.995  -0.941  11.432
  747   3HMA  HEM  95          3HM       HEM  95   8.563  -0.858  12.204
  748   1HAA  HEM  95          1HP       HEM  95  10.656  -0.979  11.758
  749   2HAA  HEM  95          2HP       HEM  95  11.692  -0.006  10.751
  750   1HBA  HEM  95          3HP       HEM  95  12.862  -1.746   9.970
  751   2HBA  HEM  95          4HP       HEM  95  11.415  -2.696   9.622
  752   1HMB  HEM  95          1HM       HEM  95   3.826  -1.023   9.216
  753   2HMB  HEM  95          2HM       HEM  95   3.515   0.670   8.921
  754   3HMB  HEM  95          3HM       HEM  95   2.450  -0.579   8.189
  755    HAB  HEM  95          AHT       HEM  95   2.917  -1.367   4.322
  756   1HBB  HEM  95          CHV       HEM  95   2.208  -2.509   6.461
  757   2HBB  HEM  95          THV       HEM  95   0.967  -1.710   5.354
  758   1HMC  HEM  95          1HM       HEM  95   4.863  -1.837   1.488
  759   2HMC  HEM  95          2HM       HEM  95   5.329  -0.489   0.438
  760   3HMC  HEM  95          3HM       HEM  95   5.973  -2.159   0.201
  761    HAC  HEM  95          AHT       HEM  95   9.860  -0.825   0.117
  762   1HBC  HEM  95          THV       HEM  95   8.682  -0.364  -1.818
  763   2HBC  HEM  95          CHV       HEM  95   7.054  -0.614  -0.987
  764   1HMD  HEM  95          1HM       HEM  95  12.857  -0.071   2.180
  765   2HMD  HEM  95          2HM       HEM  95  14.110   0.325   3.342
  766   3HMD  HEM  95          3HM       HEM  95  13.797  -1.379   2.918
  767   1HAD  HEM  95          1HP       HEM  95  14.778  -0.553   5.486
  768   2HAD  HEM  95          2HP       HEM  95  14.066  -1.217   6.951
  769   1HBD  HEM  95          3HP       HEM  95  13.325   1.251   7.431
  770   2HBD  HEM  95          4HP       HEM  95  14.519   1.697   6.224
  Start of MODEL   28
    1   1H    ASP   1           H1       ASP   1 -21.578  -4.978   8.883
    2   2H    ASP   1           H2       ASP   1 -22.548  -6.178   9.460
    3   3H    ASP   1           H3       ASP   1 -21.044  -5.968  10.110
    4    HA   ASP   1           HA       ASP   1 -20.009  -6.614   8.068
    5   1HB   ASP   1          2HB       ASP   1 -22.016  -8.433   9.397
    6   2HB   ASP   1          3HB       ASP   1 -20.987  -9.019   8.058
    7    H    LYS   2           H        LYS   2 -20.283  -5.916   5.931
    8    HA   LYS   2           HA       LYS   2 -22.696  -6.744   4.570
    9   1HB   LYS   2          2HB       LYS   2 -22.866  -4.352   6.048
   10   2HB   LYS   2          3HB       LYS   2 -22.570  -3.781   4.408
   11   1HG   LYS   2          2HG       LYS   2 -24.670  -5.865   5.141
   12   2HG   LYS   2          3HG       LYS   2 -25.007  -4.132   5.049
   13   1HD   LYS   2          2HD       LYS   2 -24.500  -4.053   2.695
   14   2HD   LYS   2          3HD       LYS   2 -23.827  -5.692   2.713
   15   1HE   LYS   2          2HE       LYS   2 -26.429  -5.893   3.847
   16   2HE   LYS   2          3HE       LYS   2 -26.607  -4.849   2.430
   17   1HZ   LYS   2          1HZ       LYS   2 -25.623  -6.553   1.090
   18   2HZ   LYS   2          2HZ       LYS   2 -25.274  -7.486   2.400
   19   3HZ   LYS   2          3HZ       LYS   2 -26.841  -7.241   1.961
   20    H    ASP   3           H        ASP   3 -20.300  -4.017   4.211
   21    HA   ASP   3           HA       ASP   3 -19.178  -5.342   1.855
   22   1HB   ASP   3          2HB       ASP   3 -19.509  -3.375   0.486
   23   2HB   ASP   3          3HB       ASP   3 -21.080  -3.917   1.068
   24    H    VAL   4           H        VAL   4 -17.301  -3.709   1.101
   25    HA   VAL   4           HA       VAL   4 -15.987  -2.497   3.425
   26    HB   VAL   4           HB       VAL   4 -14.435  -4.322   1.575
   27   1HG1  VAL   4          1HG       VAL   4 -13.503  -2.366   3.154
   28   2HG1  VAL   4          2HG       VAL   4 -13.769  -3.564   4.418
   29   3HG1  VAL   4          3HG       VAL   4 -12.681  -3.939   3.065
   30   1HG2  VAL   4          1HG       VAL   4 -15.771  -5.957   2.608
   31   2HG2  VAL   4          2HG       VAL   4 -14.341  -5.862   3.635
   32   3HG2  VAL   4          3HG       VAL   4 -15.849  -5.067   4.148
   33    H    LYS   5           H        LYS   5 -13.778  -2.554   1.114
   34    HA   LYS   5           HA       LYS   5 -14.889  -0.079  -0.124
   35   1HB   LYS   5          2HB       LYS   5 -12.587  -0.471   1.474
   36   2HB   LYS   5          3HB       LYS   5 -12.055  -0.085  -0.176
   37   1HG   LYS   5          2HG       LYS   5 -12.376   2.023   0.995
   38   2HG   LYS   5          3HG       LYS   5 -13.665   1.846  -0.183
   39   1HD   LYS   5          2HD       LYS   5 -15.115   2.230   1.464
   40   2HD   LYS   5          3HD       LYS   5 -14.709   0.660   2.168
   41   1HE   LYS   5          2HE       LYS   5 -13.322   1.549   3.780
   42   2HE   LYS   5          3HE       LYS   5 -12.797   2.879   2.742
   43   1HZ   LYS   5          1HZ       LYS   5 -15.078   3.795   3.029
   44   2HZ   LYS   5          2HZ       LYS   5 -15.317   2.703   4.237
   45   3HZ   LYS   5          3HZ       LYS   5 -14.124   3.838   4.366
   46    H    TYR   6           H        TYR   6 -13.027  -2.970  -0.842
   47    HA   TYR   6           HA       TYR   6 -12.221  -3.804  -2.807
   48   1HB   TYR   6          2HB       TYR   6 -15.149  -3.245  -3.344
   49   2HB   TYR   6          3HB       TYR   6 -14.143  -4.384  -4.230
   50    HD1  TYR   6           HD1      TYR   6 -13.119  -6.365  -3.050
   51    HD2  TYR   6           HD2      TYR   6 -16.167  -3.899  -1.251
   52    HE1  TYR   6           HE1      TYR   6 -13.556  -8.134  -1.367
   53    HE2  TYR   6           HE2      TYR   6 -16.600  -5.699   0.440
   54    HH   TYR   6           HH       TYR   6 -14.338  -8.243   0.933
   55    H    TYR   7           H        TYR   7 -10.593  -2.333  -3.880
   56    HA   TYR   7           HA       TYR   7 -11.810  -0.456  -5.767
   57   1HB   TYR   7          2HB       TYR   7  -9.181  -0.598  -4.228
   58   2HB   TYR   7          3HB       TYR   7  -9.443   0.429  -5.562
   59    HD1  TYR   7           HD1      TYR   7  -9.799   0.170  -2.029
   60    HD2  TYR   7           HD2      TYR   7 -11.589   2.011  -5.491
   61    HE1  TYR   7           HE1      TYR   7 -10.831   1.884  -0.587
   62    HE2  TYR   7           HE2      TYR   7 -12.673   3.700  -4.043
   63    HH   TYR   7           HH       TYR   7 -11.735   4.189  -0.760
   64    H    THR   8           H        THR   8 -10.860  -0.398  -7.880
   65    HA   THR   8           HA       THR   8  -9.939  -3.044  -8.796
   66    HB   THR   8           HB       THR   8 -10.258  -2.050 -11.035
   67    HG1  THR   8          1HG       THR   8 -11.184   0.100 -11.052
   68   1HG2  THR   8          1HG       THR   8 -12.207  -3.050  -9.992
   69   2HG2  THR   8          2HG       THR   8 -12.619  -1.523  -9.171
   70   3HG2  THR   8          3HG       THR   8 -12.703  -1.644 -10.942
   71    H    LEU   9           H        LEU   9  -8.107  -2.922 -10.487
   72    HA   LEU   9           HA       LEU   9  -5.835  -1.803  -9.194
   73   1HB   LEU   9          2HB       LEU   9  -5.946  -2.559 -12.131
   74   2HB   LEU   9          3HB       LEU   9  -4.534  -2.406 -11.094
   75    HG   LEU   9           HG       LEU   9  -4.847  -4.689 -11.277
   76   1HD1  LEU   9          1HD       LEU   9  -4.554  -3.959  -8.906
   77   2HD1  LEU   9          2HD       LEU   9  -6.313  -4.042  -8.677
   78   3HD1  LEU   9          3HD       LEU   9  -5.408  -5.511  -9.065
   79   1HD2  LEU   9          1HD       LEU   9  -7.403  -4.246 -12.034
   80   2HD2  LEU   9          2HD       LEU   9  -6.762  -5.811 -11.567
   81   3HD2  LEU   9          3HD       LEU   9  -7.684  -4.860 -10.384
   82    H    GLU  10           H        GLU  10  -7.926  -0.637 -11.844
   83    HA   GLU  10           HA       GLU  10  -6.343   1.605 -12.591
   84   1HB   GLU  10          2HB       GLU  10  -9.112   0.623 -13.008
   85   2HB   GLU  10          3HB       GLU  10  -8.959   2.382 -13.083
   86   1HG   GLU  10          2HG       GLU  10  -7.581   2.366 -14.927
   87   2HG   GLU  10          3HG       GLU  10  -6.863   0.800 -14.539
   88    H    GLU  11           H        GLU  11  -8.805   1.266  -9.910
   89    HA   GLU  11           HA       GLU  11  -8.726   4.052  -9.301
   90   1HB   GLU  11          2HB       GLU  11  -9.345   1.533  -7.700
   91   2HB   GLU  11          3HB       GLU  11  -9.471   3.151  -7.036
   92   1HG   GLU  11          2HG       GLU  11 -11.031   2.023  -9.380
   93   2HG   GLU  11          3HG       GLU  11 -11.656   2.410  -7.785
   94    H    ILE  12           H        ILE  12  -6.730   1.238  -8.222
   95    HA   ILE  12           HA       ILE  12  -5.310   2.810  -6.316
   96    HB   ILE  12           HB       ILE  12  -4.456   0.394  -7.889
   97   1HG1  ILE  12          2HG       ILE  12  -5.219   0.276  -5.015
   98   2HG1  ILE  12          3HG       ILE  12  -6.497   0.543  -6.161
   99   1HG2  ILE  12          1HG       ILE  12  -3.053   1.888  -5.734
  100   2HG2  ILE  12          2HG       ILE  12  -3.106   0.139  -5.496
  101   3HG2  ILE  12          3HG       ILE  12  -2.414   0.762  -6.985
  102   1HD1  ILE  12          1HD       ILE  12  -5.359  -1.979  -5.520
  103   2HD1  ILE  12          2HD       ILE  12  -6.489  -1.643  -6.824
  104   3HD1  ILE  12          3HD       ILE  12  -4.738  -1.616  -7.116
  105    H    LYS  13           H        LYS  13  -4.749   2.197  -9.781
  106    HA   LYS  13           HA       LYS  13  -2.201   3.611  -9.867
  107   1HB   LYS  13          2HB       LYS  13  -4.179   2.610 -11.936
  108   2HB   LYS  13          3HB       LYS  13  -2.760   3.557 -12.403
  109   1HG   LYS  13          2HG       LYS  13  -1.306   1.867 -12.054
  110   2HG   LYS  13          3HG       LYS  13  -2.096   1.332 -10.563
  111   1HD   LYS  13          2HD       LYS  13  -3.572  -0.071 -11.651
  112   2HD   LYS  13          3HD       LYS  13  -3.475   0.812 -13.187
  113   1HE   LYS  13          2HE       LYS  13  -1.113  -0.020 -13.416
  114   2HE   LYS  13          3HE       LYS  13  -1.351  -0.989 -11.950
  115   1HZ   LYS  13          1HZ       LYS  13  -1.776  -2.269 -13.951
  116   2HZ   LYS  13          2HZ       LYS  13  -3.163  -2.119 -13.079
  117   3HZ   LYS  13          3HZ       LYS  13  -2.943  -1.212 -14.433
  118    H    LYS  14           H        LYS  14  -5.576   4.591  -9.853
  119    HA   LYS  14           HA       LYS  14  -5.052   7.256 -10.935
  120   1HB   LYS  14          2HB       LYS  14  -7.340   5.809  -9.658
  121   2HB   LYS  14          3HB       LYS  14  -7.306   7.538  -9.381
  122   1HG   LYS  14          2HG       LYS  14  -7.283   7.937 -11.821
  123   2HG   LYS  14          3HG       LYS  14  -7.270   6.180 -12.095
  124   1HD   LYS  14          2HD       LYS  14  -9.387   6.337 -10.387
  125   2HD   LYS  14          3HD       LYS  14  -9.507   7.946 -11.092
  126   1HE   LYS  14          2HE       LYS  14  -9.229   5.408 -12.756
  127   2HE   LYS  14          3HE       LYS  14 -10.799   5.947 -12.154
  128   1HZ   LYS  14          1HZ       LYS  14 -10.563   7.967 -13.370
  129   2HZ   LYS  14          2HZ       LYS  14  -9.024   7.602 -13.843
  130   3HZ   LYS  14          3HZ       LYS  14 -10.297   6.720 -14.409
  131    H    HIS  15           H        HIS  15  -4.145   5.700  -7.961
  132    HA   HIS  15           HA       HIS  15  -3.621   8.392  -6.856
  133   1HB   HIS  15          2HB       HIS  15  -4.369   6.238  -4.986
  134   2HB   HIS  15          3HB       HIS  15  -4.522   7.974  -4.881
  135    HD1  HIS  15           HD1      HIS  15  -6.556   8.961  -6.690
  136    HD2  HIS  15           HD2      HIS  15  -6.597   4.955  -5.404
  137    HE1  HIS  15           HE1      HIS  15  -8.994   8.151  -6.870
  138    H    ASN  16           H        ASN  16  -1.558   8.304  -7.311
  139    HA   ASN  16           HA       ASN  16   0.101   6.451  -5.731
  140   1HB   ASN  16          2HB       ASN  16   1.594   6.064  -7.713
  141   2HB   ASN  16          3HB       ASN  16  -0.045   5.424  -7.889
  142   1HD2  ASN  16          1HD       ASN  16   0.104   5.433 -10.208
  143   2HD2  ASN  16          2HD       ASN  16  -0.048   6.948 -11.066
  144    H    HIS  17           H        HIS  17  -0.588   9.449  -5.701
  145    HA   HIS  17           HA       HIS  17   2.162  10.545  -5.990
  146   1HB   HIS  17          2HB       HIS  17   1.040  12.671  -6.670
  147   2HB   HIS  17          3HB       HIS  17   0.829  11.355  -7.820
  148    HD1  HIS  17           HD1      HIS  17  -1.189  13.660  -5.618
  149    HD2  HIS  17           HD2      HIS  17  -1.683  10.149  -7.901
  150    HE1  HIS  17           HE1      HIS  17  -3.722  13.281  -5.910
  151    H    SER  18           H        SER  18   2.158  12.732  -4.693
  152    HA   SER  18           HA       SER  18   1.898  11.977  -1.951
  153   1HB   SER  18          2HB       SER  18   3.664  13.424  -3.075
  154   2HB   SER  18          3HB       SER  18   2.487  14.746  -3.085
  155    HG   SER  18           HG       SER  18   2.546  14.786  -0.898
  156    H    LYS  19           H        LYS  19  -0.385  11.552  -1.922
  157    HA   LYS  19           HA       LYS  19  -2.020  13.468  -0.651
  158   1HB   LYS  19          2HB       LYS  19  -2.223  14.586  -2.833
  159   2HB   LYS  19          3HB       LYS  19  -2.718  13.067  -3.593
  160   1HG   LYS  19          2HG       LYS  19  -4.866  13.207  -2.781
  161   2HG   LYS  19          3HG       LYS  19  -4.357  13.952  -1.255
  162   1HD   LYS  19          2HD       LYS  19  -5.668  15.535  -2.560
  163   2HD   LYS  19          3HD       LYS  19  -4.004  16.094  -2.320
  164   1HE   LYS  19          2HE       LYS  19  -3.438  15.203  -4.606
  165   2HE   LYS  19          3HE       LYS  19  -5.157  14.835  -4.852
  166   1HZ   LYS  19          1HZ       LYS  19  -4.290  17.034  -5.711
  167   2HZ   LYS  19          2HZ       LYS  19  -5.666  17.102  -4.812
  168   3HZ   LYS  19          3HZ       LYS  19  -4.224  17.537  -4.148
  169    H    SER  20           H        SER  20  -1.870  10.562  -2.703
  170    HA   SER  20           HA       SER  20  -3.477   8.982  -0.876
  171   1HB   SER  20          2HB       SER  20  -4.335   9.682  -3.698
  172   2HB   SER  20          3HB       SER  20  -4.869   8.207  -2.847
  173    HG   SER  20           HG       SER  20  -6.339   9.439  -2.046
  174    H    THR  21           H        THR  21  -0.834   8.855  -1.153
  175    HA   THR  21           HA       THR  21   0.252   7.069  -3.102
  176    HB   THR  21           HB       THR  21   0.877   7.651  -0.170
  177    HG1  THR  21          1HG       THR  21   1.486   8.798  -2.644
  178   1HG2  THR  21          1HG       THR  21   2.058   5.650  -1.912
  179   2HG2  THR  21          2HG       THR  21   3.242   6.876  -1.411
  180   3HG2  THR  21          3HG       THR  21   2.291   6.008  -0.187
  181    H    TRP  22           H        TRP  22  -1.563   5.618  -3.441
  182    HA   TRP  22           HA       TRP  22  -1.958   3.618  -1.301
  183   1HB   TRP  22          2HB       TRP  22  -3.061   4.056  -4.098
  184   2HB   TRP  22          3HB       TRP  22  -3.319   2.558  -3.222
  185    HD1  TRP  22           HD1      TRP  22  -3.437   5.538  -0.949
  186    HE1  TRP  22           HE1      TRP  22  -5.827   5.947  -0.220
  187    HE3  TRP  22           HE3      TRP  22  -5.704   2.418  -4.238
  188    HZ2  TRP  22           HZ2      TRP  22  -8.511   5.166  -1.183
  189    HZ3  TRP  22           HZ3      TRP  22  -8.155   2.336  -4.441
  190    HH2  TRP  22           HH2      TRP  22  -9.567   3.758  -2.955
  191    H    LEU  23           H        LEU  23  -1.788   1.323  -2.163
  192    HA   LEU  23           HA       LEU  23  -0.101   0.674  -4.344
  193   1HB   LEU  23          2HB       LEU  23   1.800  -0.269  -2.968
  194   2HB   LEU  23          3HB       LEU  23   1.750   1.460  -3.143
  195    HG   LEU  23           HG       LEU  23   0.576   1.515  -0.791
  196   1HD1  LEU  23          1HD       LEU  23   1.950  -1.150  -0.603
  197   2HD1  LEU  23          2HD       LEU  23   1.041  -0.283   0.653
  198   3HD1  LEU  23          3HD       LEU  23   0.191  -0.981  -0.740
  199   1HD2  LEU  23          1HD       LEU  23   2.688   2.410  -0.695
  200   2HD2  LEU  23          2HD       LEU  23   3.061   0.880   0.129
  201   3HD2  LEU  23          3HD       LEU  23   3.435   1.066  -1.576
  202    H    ILE  24           H        ILE  24   0.571  -1.785  -3.957
  203    HA   ILE  24           HA       ILE  24  -1.888  -3.138  -2.948
  204    HB   ILE  24           HB       ILE  24  -0.113  -3.644  -5.404
  205   1HG1  ILE  24          2HG       ILE  24  -3.067  -3.047  -5.257
  206   2HG1  ILE  24          3HG       ILE  24  -1.827  -1.811  -5.511
  207   1HG2  ILE  24          1HG       ILE  24  -2.033  -5.445  -3.984
  208   2HG2  ILE  24          2HG       ILE  24  -2.162  -5.390  -5.753
  209   3HG2  ILE  24          3HG       ILE  24  -0.626  -5.830  -5.005
  210   1HD1  ILE  24          1HD       ILE  24  -1.096  -3.573  -7.460
  211   2HD1  ILE  24          2HD       ILE  24  -2.854  -3.814  -7.426
  212   3HD1  ILE  24          3HD       ILE  24  -2.181  -2.195  -7.708
  213    H    LEU  25           H        LEU  25  -1.128  -4.107  -1.075
  214    HA   LEU  25           HA       LEU  25   1.444  -5.565  -1.173
  215   1HB   LEU  25          2HB       LEU  25   0.095  -3.979   0.998
  216   2HB   LEU  25          3HB       LEU  25   1.075  -5.369   1.469
  217    HG   LEU  25           HG       LEU  25   2.110  -3.291  -0.469
  218   1HD1  LEU  25          1HD       LEU  25   2.610  -3.249   2.536
  219   2HD1  LEU  25          2HD       LEU  25   3.134  -2.070   1.317
  220   3HD1  LEU  25          3HD       LEU  25   1.407  -2.213   1.744
  221   1HD2  LEU  25          1HD       LEU  25   3.096  -5.626   0.001
  222   2HD2  LEU  25          2HD       LEU  25   4.190  -4.219   0.002
  223   3HD2  LEU  25          3HD       LEU  25   3.630  -4.965   1.532
  224    H    HIS  26           H        HIS  26   0.885  -7.600  -1.733
  225    HA   HIS  26           HA       HIS  26  -0.088  -9.647  -1.652
  226   1HB   HIS  26          2HB       HIS  26  -0.873  -8.856   1.180
  227   2HB   HIS  26          3HB       HIS  26  -0.825 -10.479   0.517
  228    HD1  HIS  26           HD1      HIS  26   1.276 -11.728   1.276
  229    HD2  HIS  26           HD2      HIS  26   1.819  -7.568   0.939
  230    HE1  HIS  26           HE1      HIS  26   3.661 -11.220   2.056
  231    H    HIS  27           H        HIS  27  -1.623  -8.629  -3.269
  232    HA   HIS  27           HA       HIS  27  -3.593  -8.227  -4.163
  233   1HB   HIS  27          2HB       HIS  27  -4.649 -10.487  -2.467
  234   2HB   HIS  27          3HB       HIS  27  -5.168 -10.009  -4.084
  235    HD1  HIS  27           HD1      HIS  27  -2.710 -10.157  -5.853
  236    HD2  HIS  27           HD2      HIS  27  -3.266 -12.639  -2.494
  237    HE1  HIS  27           HE1      HIS  27  -1.116 -12.139  -6.125
  238    H    LYS  28           H        LYS  28  -3.197  -6.563  -1.824
  239    HA   LYS  28           HA       LYS  28  -6.003  -5.982  -1.106
  240   1HB   LYS  28          2HB       LYS  28  -3.649  -6.527   0.704
  241   2HB   LYS  28          3HB       LYS  28  -5.020  -5.538   1.233
  242   1HG   LYS  28          2HG       LYS  28  -6.531  -7.435   0.951
  243   2HG   LYS  28          3HG       LYS  28  -5.247  -8.420   0.248
  244   1HD   LYS  28          2HD       LYS  28  -4.720  -9.158   2.308
  245   2HD   LYS  28          3HD       LYS  28  -4.157  -7.530   2.691
  246   1HE   LYS  28          2HE       LYS  28  -6.685  -7.003   3.097
  247   2HE   LYS  28          3HE       LYS  28  -6.907  -8.750   3.166
  248   1HZ   LYS  28          1HZ       LYS  28  -4.894  -7.398   4.837
  249   2HZ   LYS  28          2HZ       LYS  28  -6.460  -7.486   5.310
  250   3HZ   LYS  28          3HZ       LYS  28  -5.601  -8.872   5.078
  251    H    VAL  29           H        VAL  29  -6.201  -3.653  -0.385
  252    HA   VAL  29           HA       VAL  29  -4.220  -2.063  -1.825
  253    HB   VAL  29           HB       VAL  29  -6.757  -0.923  -0.912
  254   1HG1  VAL  29          1HG       VAL  29  -5.558  -1.263  -3.573
  255   2HG1  VAL  29          2HG       VAL  29  -6.801  -0.046  -3.131
  256   3HG1  VAL  29          3HG       VAL  29  -5.144   0.071  -2.467
  257   1HG2  VAL  29          1HG       VAL  29  -6.927  -3.149  -2.948
  258   2HG2  VAL  29          2HG       VAL  29  -7.734  -3.089  -1.393
  259   3HG2  VAL  29          3HG       VAL  29  -8.203  -1.958  -2.641
  260    H    TYR  30           H        TYR  30  -2.985  -0.633  -0.601
  261    HA   TYR  30           HA       TYR  30  -3.823  -0.096   2.180
  262   1HB   TYR  30          2HB       TYR  30  -1.261  -0.978   0.847
  263   2HB   TYR  30          3HB       TYR  30  -1.251  -0.119   2.353
  264    HD1  TYR  30           HD1      TYR  30  -2.011  -1.178   4.409
  265    HD2  TYR  30           HD2      TYR  30  -2.196  -3.289   0.684
  266    HE1  TYR  30           HE1      TYR  30  -2.241  -3.336   5.634
  267    HE2  TYR  30           HE2      TYR  30  -2.307  -5.435   1.925
  268    HH   TYR  30           HH       TYR  30  -1.860  -6.428   4.023
  269    H    ASP  31           H        ASP  31  -3.366   1.996   2.888
  270    HA   ASP  31           HA       ASP  31  -2.516   3.946   0.822
  271   1HB   ASP  31          2HB       ASP  31  -4.951   3.988   1.450
  272   2HB   ASP  31          3HB       ASP  31  -4.488   4.391   3.103
  273    H    LEU  32           H        LEU  32  -0.579   4.691   1.375
  274    HA   LEU  32           HA       LEU  32   0.133   4.735   4.277
  275   1HB   LEU  32          2HB       LEU  32   2.268   4.852   2.216
  276   2HB   LEU  32          3HB       LEU  32   2.253   4.217   3.850
  277    HG   LEU  32           HG       LEU  32   1.314   2.906   1.298
  278   1HD1  LEU  32          1HD       LEU  32   2.865   1.144   2.222
  279   2HD1  LEU  32          2HD       LEU  32   3.617   2.725   1.870
  280   3HD1  LEU  32          3HD       LEU  32   3.246   2.247   3.547
  281   1HD2  LEU  32          1HD       LEU  32  -0.391   1.943   2.375
  282   2HD2  LEU  32          2HD       LEU  32   0.819   0.961   3.178
  283   3HD2  LEU  32          3HD       LEU  32   0.168   2.419   3.980
  284    H    THR  33           H        THR  33  -1.200   6.790   2.241
  285    HA   THR  33           HA       THR  33   0.477   8.954   1.878
  286    HB   THR  33           HB       THR  33  -2.492   8.520   2.464
  287    HG1  THR  33          1HG       THR  33  -2.103   7.865   0.599
  288   1HG2  THR  33          1HG       THR  33  -2.141  10.772   3.236
  289   2HG2  THR  33          2HG       THR  33  -1.300  11.180   1.709
  290   3HG2  THR  33          3HG       THR  33  -3.030  10.717   1.729
  291    H    LYS  34           H        LYS  34  -1.657   8.305   4.741
  292    HA   LYS  34           HA       LYS  34  -0.546  10.649   6.051
  293   1HB   LYS  34          2HB       LYS  34  -2.924   9.591   6.301
  294   2HB   LYS  34          3HB       LYS  34  -2.173   8.515   7.485
  295   1HG   LYS  34          2HG       LYS  34  -1.479  11.399   7.821
  296   2HG   LYS  34          3HG       LYS  34  -3.202  11.073   7.940
  297   1HD   LYS  34          2HD       LYS  34  -2.935   9.590   9.770
  298   2HD   LYS  34          3HD       LYS  34  -1.169   9.514   9.585
  299   1HE   LYS  34          2HE       LYS  34  -0.840  11.739  10.262
  300   2HE   LYS  34          3HE       LYS  34  -2.544  12.174  10.004
  301   1HZ   LYS  34          1HZ       LYS  34  -3.074  10.696  11.869
  302   2HZ   LYS  34          2HZ       LYS  34  -1.443  10.437  12.110
  303   3HZ   LYS  34          3HZ       LYS  34  -2.090  11.939  12.319
  304    H    PHE  35           H        PHE  35   0.801   7.705   5.448
  305    HA   PHE  35           HA       PHE  35   2.275   7.494   7.990
  306   1HB   PHE  35          2HB       PHE  35   0.924   5.587   7.180
  307   2HB   PHE  35          3HB       PHE  35   1.882   5.534   5.725
  308    HD1  PHE  35          1HD       PHE  35   3.426   3.826   5.641
  309    HD2  PHE  35          2HD       PHE  35   2.676   5.732   9.432
  310    HE1  PHE  35          1HE       PHE  35   4.982   2.292   6.697
  311    HE2  PHE  35          2HE       PHE  35   4.362   4.267  10.494
  312    HZ   PHE  35           HZ       PHE  35   5.566   2.546   9.125
  313    H    LEU  36           H        LEU  36   2.478   8.566   4.780
  314    HA   LEU  36           HA       LEU  36   5.176   8.060   4.036
  315   1HB   LEU  36          2HB       LEU  36   3.321  10.485   3.672
  316   2HB   LEU  36          3HB       LEU  36   4.946  10.468   2.988
  317    HG   LEU  36           HG       LEU  36   2.734   8.507   2.283
  318   1HD1  LEU  36          1HD       LEU  36   2.775   9.865   0.119
  319   2HD1  LEU  36          2HD       LEU  36   2.044  10.661   1.525
  320   3HD1  LEU  36          3HD       LEU  36   3.690  11.091   1.012
  321   1HD2  LEU  36          1HD       LEU  36   5.152   7.780   1.912
  322   2HD2  LEU  36          2HD       LEU  36   4.077   7.786   0.506
  323   3HD2  LEU  36          3HD       LEU  36   5.271   9.090   0.731
  324    H    GLU  37           H        GLU  37   4.279  11.040   5.735
  325    HA   GLU  37           HA       GLU  37   7.082  11.190   6.577
  326   1HB   GLU  37          2HB       GLU  37   4.657  12.970   6.963
  327   2HB   GLU  37          3HB       GLU  37   6.276  13.355   7.596
  328   1HG   GLU  37          2HG       GLU  37   7.243  13.355   5.382
  329   2HG   GLU  37          3HG       GLU  37   5.767  12.730   4.648
  330    H    GLU  38           H        GLU  38   5.258   8.943   7.539
  331    HA   GLU  38           HA       GLU  38   5.828   9.225  10.422
  332   1HB   GLU  38          2HB       GLU  38   3.193   8.927   9.146
  333   2HB   GLU  38          3HB       GLU  38   3.519   7.656  10.322
  334   1HG   GLU  38          2HG       GLU  38   4.204   9.651  11.889
  335   2HG   GLU  38          3HG       GLU  38   3.302  10.643  10.742
  336    H    HIS  39           HN       HIS  39   6.592   7.475   7.636
  337    HA   HIS  39           HA       HIS  39   6.580   4.883   8.898
  338   1HB   HIS  39          2HB       HIS  39   6.098   4.977   6.519
  339   2HB   HIS  39          3HB       HIS  39   7.566   5.852   6.213
  340    HD1  HIS  39           HND      HIS  39   9.098   4.399   4.888
  341    HD2  HIS  39           HD       HIS  39   6.954   2.120   7.626
  342    HE1  HIS  39           HE       HIS  39   9.742   2.099   4.453
  343    HA   PRO  40           HA       PRO  40  10.760   5.535  10.410
  344   1HB   PRO  40          2HB       PRO  40  11.196   3.070  11.516
  345   2HB   PRO  40          3HB       PRO  40  10.183   4.333  12.283
  346   1HG   PRO  40          2HG       PRO  40   9.309   1.923  10.727
  347   2HG   PRO  40          3HG       PRO  40   8.566   2.640  12.190
  348   1HD   PRO  40          2HD       PRO  40   7.716   3.023   9.565
  349   2HD   PRO  40          3HD       PRO  40   7.353   4.147  10.910
  350    H    GLY  41           H        GLY  41  11.756   5.793   8.433
  351   1HA   GLY  41          2HA       GLY  41  13.757   4.258   7.608
  352   2HA   GLY  41          3HA       GLY  41  12.421   3.444   6.769
  353    H    GLY  42           H        GLY  42  10.948   4.920   5.445
  354   1HA   GLY  42          2HA       GLY  42  12.126   7.441   4.580
  355   2HA   GLY  42          3HA       GLY  42  12.196   6.151   3.366
  356    H    GLU  43           H        GLU  43  10.746   8.475   3.029
  357    HA   GLU  43           HA       GLU  43   7.946   7.422   2.848
  358   1HB   GLU  43          2HB       GLU  43   7.298   9.687   2.376
  359   2HB   GLU  43          3HB       GLU  43   8.317   9.657   3.830
  360   1HG   GLU  43          2HG       GLU  43  10.256  10.428   2.545
  361   2HG   GLU  43          3HG       GLU  43   9.329  10.381   1.042
  362    H    GLU  44           H        GLU  44  10.729   8.282   0.915
  363    HA   GLU  44           HA       GLU  44   9.198   8.679  -1.508
  364   1HB   GLU  44          2HB       GLU  44  11.174   9.041  -2.626
  365   2HB   GLU  44          3HB       GLU  44  11.550   9.525  -0.979
  366   1HG   GLU  44          2HG       GLU  44  13.445   8.346  -1.498
  367   2HG   GLU  44          3HG       GLU  44  12.502   7.071  -0.745
  368    H    VAL  45           H        VAL  45  10.937   5.922  -0.112
  369    HA   VAL  45           HA       VAL  45  10.530   4.070  -2.157
  370    HB   VAL  45           HB       VAL  45  10.364   2.402  -0.316
  371   1HG1  VAL  45          1HG       VAL  45  12.704   3.753   0.678
  372   2HG1  VAL  45          2HG       VAL  45  12.569   2.405  -0.465
  373   3HG1  VAL  45          3HG       VAL  45  12.537   4.065  -1.056
  374   1HG2  VAL  45          1HG       VAL  45   9.298   4.287   1.317
  375   2HG2  VAL  45          2HG       VAL  45  10.138   2.853   1.894
  376   3HG2  VAL  45          3HG       VAL  45  10.979   4.415   1.809
  377    H    LEU  46           H        LEU  46   8.166   5.624  -0.146
  378    HA   LEU  46           HA       LEU  46   6.174   3.384  -0.589
  379   1HB   LEU  46          2HB       LEU  46   5.640   6.131   0.525
  380   2HB   LEU  46          3HB       LEU  46   4.592   4.702   0.651
  381    HG   LEU  46           HG       LEU  46   7.165   5.399   2.043
  382   1HD1  LEU  46          1HD       LEU  46   4.638   5.880   2.832
  383   2HD1  LEU  46          2HD       LEU  46   4.779   4.249   3.471
  384   3HD1  LEU  46          3HD       LEU  46   5.933   5.494   3.978
  385   1HD2  LEU  46          1HD       LEU  46   7.671   3.346   2.837
  386   2HD2  LEU  46          2HD       LEU  46   6.038   2.683   2.661
  387   3HD2  LEU  46          3HD       LEU  46   7.094   2.853   1.253
  388    H    ARG  47           H        ARG  47   7.129   6.358  -2.128
  389    HA   ARG  47           HA       ARG  47   4.850   6.326  -3.973
  390   1HB   ARG  47          2HB       ARG  47   7.140   8.158  -3.413
  391   2HB   ARG  47          3HB       ARG  47   6.479   8.133  -5.059
  392   1HG   ARG  47          2HG       ARG  47   4.169   8.411  -4.046
  393   2HG   ARG  47          3HG       ARG  47   4.952   8.775  -2.501
  394   1HD   ARG  47          2HD       ARG  47   5.761  10.268  -5.030
  395   2HD   ARG  47          3HD       ARG  47   4.255  10.670  -4.224
  396    HE   ARG  47           HE       ARG  47   5.337  11.636  -2.480
  397   1HH1  ARG  47          2HH       ARG  47   7.773   9.930  -4.396
  398   2HH1  ARG  47          1HH       ARG  47   9.123  10.617  -3.572
  399   1HH2  ARG  47          2HH       ARG  47   7.134  12.488  -1.278
  400   2HH2  ARG  47          1HH       ARG  47   8.724  12.135  -1.766
  401    H    GLU  48           H        GLU  48   8.218   5.168  -3.910
  402    HA   GLU  48           HA       GLU  48   8.471   4.892  -6.747
  403   1HB   GLU  48          2HB       GLU  48   9.919   4.112  -4.315
  404   2HB   GLU  48          3HB       GLU  48   9.996   2.839  -5.511
  405   1HG   GLU  48          2HG       GLU  48  10.491   5.605  -6.559
  406   2HG   GLU  48          3HG       GLU  48  11.666   5.031  -5.390
  407    H    GLN  49           H        GLN  49   6.693   3.046  -4.419
  408    HA   GLN  49           HA       GLN  49   6.021   1.007  -6.512
  409   1HB   GLN  49          2HB       GLN  49   5.998   0.946  -3.475
  410   2HB   GLN  49          3HB       GLN  49   5.445  -0.380  -4.517
  411   1HG   GLN  49          2HG       GLN  49   8.285   0.770  -4.510
  412   2HG   GLN  49          3HG       GLN  49   7.753  -0.671  -3.663
  413   1HE2  GLN  49          1HE       GLN  49   9.773  -0.385  -5.955
  414   2HE2  GLN  49          2HE       GLN  49   9.123  -1.510  -7.140
  415    H    ALA  50           H        ALA  50   4.878   3.801  -5.406
  416    HA   ALA  50           HA       ALA  50   2.293   3.177  -4.418
  417   1HB   ALA  50          1HB       ALA  50   3.075   5.356  -4.012
  418   2HB   ALA  50          2HB       ALA  50   3.378   5.675  -5.758
  419   3HB   ALA  50          3HB       ALA  50   1.737   5.532  -5.105
  420    H    GLY  51           H        GLY  51   0.266   3.059  -5.408
  421   1HA   GLY  51          2HA       GLY  51  -1.244   2.429  -7.027
  422   2HA   GLY  51          3HA       GLY  51  -0.264   3.315  -8.200
  423    H    GLY  52           H        GLY  52   1.493   0.821  -6.397
  424   1HA   GLY  52          2HA       GLY  52   1.351  -1.061  -8.657
  425   2HA   GLY  52          3HA       GLY  52   2.882  -0.286  -8.183
  426    H    ASP  53           H        ASP  53   3.271  -2.819  -7.911
  427    HA   ASP  53           HA       ASP  53   2.054  -3.981  -5.565
  428   1HB   ASP  53          2HB       ASP  53   3.913  -5.745  -6.715
  429   2HB   ASP  53          3HB       ASP  53   2.159  -5.742  -6.843
  430    H    ALA  54           H        ALA  54   2.922  -2.886  -3.819
  431    HA   ALA  54           HA       ALA  54   5.826  -2.413  -3.680
  432   1HB   ALA  54          1HB       ALA  54   4.766  -2.103  -1.109
  433   2HB   ALA  54          2HB       ALA  54   5.018  -0.806  -2.277
  434   3HB   ALA  54          3HB       ALA  54   3.437  -1.596  -2.152
  435    H    THR  55           H        THR  55   3.768  -5.109  -3.340
  436    HA   THR  55           HA       THR  55   4.594  -6.311  -1.072
  437    HB   THR  55           HB       THR  55   4.084  -7.702  -3.754
  438    HG1  THR  55          1HG       THR  55   2.337  -6.370  -3.488
  439   1HG2  THR  55          1HG       THR  55   3.973  -8.385  -0.831
  440   2HG2  THR  55          2HG       THR  55   2.881  -9.220  -1.960
  441   3HG2  THR  55          3HG       THR  55   4.650  -9.325  -2.177
  442    H    GLU  56           H        GLU  56   6.391  -6.443  -4.243
  443    HA   GLU  56           HA       GLU  56   8.277  -8.318  -3.195
  444   1HB   GLU  56          2HB       GLU  56   8.410  -6.238  -5.421
  445   2HB   GLU  56          3HB       GLU  56   9.769  -7.314  -5.051
  446   1HG   GLU  56          2HG       GLU  56   8.397  -9.293  -5.459
  447   2HG   GLU  56          3HG       GLU  56   6.965  -8.292  -5.723
  448    H    ASN  57           H        ASN  57   7.984  -4.815  -2.751
  449    HA   ASN  57           HA       ASN  57  10.715  -4.509  -1.711
  450   1HB   ASN  57          2HB       ASN  57   8.358  -2.765  -2.167
  451   2HB   ASN  57          3HB       ASN  57   9.108  -2.483  -0.605
  452   1HD2  ASN  57          1HD       ASN  57   9.658  -2.337  -4.139
  453   2HD2  ASN  57          2HD       ASN  57  11.144  -1.415  -3.949
  454    H    PHE  58           H        PHE  58   7.455  -4.675  -0.317
  455    HA   PHE  58           HA       PHE  58   8.246  -4.570   2.423
  456   1HB   PHE  58          2HB       PHE  58   5.945  -4.317   1.521
  457   2HB   PHE  58          3HB       PHE  58   5.857  -6.067   1.306
  458    HD1  PHE  58          1HD       PHE  58   5.442  -3.290   3.598
  459    HD2  PHE  58          2HD       PHE  58   6.077  -7.555   3.426
  460    HE1  PHE  58          1HE       PHE  58   4.714  -3.493   5.955
  461    HE2  PHE  58          2HE       PHE  58   5.352  -7.755   5.775
  462    HZ   PHE  58           HZ       PHE  58   4.710  -5.703   7.065
  463    H    GLU  59           H        GLU  59   7.897  -7.446   0.293
  464    HA   GLU  59           HA       GLU  59   8.501  -9.322   2.367
  465   1HB   GLU  59          2HB       GLU  59   8.098 -10.894   0.662
  466   2HB   GLU  59          3HB       GLU  59   6.979  -9.584   0.362
  467   1HG   GLU  59          2HG       GLU  59   7.618  -9.966  -1.740
  468   2HG   GLU  59          3HG       GLU  59   8.818  -8.764  -1.267
  469    H    ASP  60           H        ASP  60  10.289  -7.815  -0.312
  470    HA   ASP  60           HA       ASP  60  12.674  -9.200  -0.362
  471   1HB   ASP  60          2HB       ASP  60  11.961  -6.310  -0.809
  472   2HB   ASP  60          3HB       ASP  60  13.596  -6.567  -0.334
  473    H    VAL  61           H        VAL  61  11.875  -6.405   1.742
  474    HA   VAL  61           HA       VAL  61  14.207  -7.020   3.315
  475    HB   VAL  61           HB       VAL  61  11.978  -5.058   3.970
  476   1HG1  VAL  61          1HG       VAL  61  14.833  -5.033   5.038
  477   2HG1  VAL  61          2HG       VAL  61  13.456  -4.025   5.543
  478   3HG1  VAL  61          3HG       VAL  61  13.480  -5.742   5.940
  479   1HG2  VAL  61          1HG       VAL  61  14.505  -4.884   2.315
  480   2HG2  VAL  61          2HG       VAL  61  12.903  -4.186   2.005
  481   3HG2  VAL  61          3HG       VAL  61  13.972  -3.452   3.214
  482    H    GLY  62           H        GLY  62  10.753  -7.640   3.515
  483   1HA   GLY  62          2HA       GLY  62  10.042  -9.739   4.403
  484   2HA   GLY  62          3HA       GLY  62  11.276  -9.623   5.670
  485    H    HIS  63           HN       HIS  63  10.974  -6.952   6.387
  486    HA   HIS  63           HA       HIS  63  10.071  -5.743   7.950
  487   1HB   HIS  63          2HB       HIS  63   7.619  -6.460   6.373
  488   2HB   HIS  63          3HB       HIS  63   7.400  -5.570   7.850
  489    HD1  HIS  63           HND      HIS  63   8.815  -5.131   4.365
  490    HD2  HIS  63           HD       HIS  63   7.982  -2.998   7.875
  491    HE1  HIS  63           HE       HIS  63   8.889  -2.677   3.732
  492    H    SER  64           H        SER  64   9.088  -5.754  10.113
  493    HA   SER  64           HA       SER  64   8.809  -8.479  11.203
  494   1HB   SER  64          2HB       SER  64   9.022  -5.710  12.440
  495   2HB   SER  64          3HB       SER  64   8.764  -7.196  13.384
  496    HG   SER  64           HG       SER  64  10.988  -6.705  13.183
  497    H    THR  65           H        THR  65   7.005  -8.857  12.897
  498    HA   THR  65           HA       THR  65   4.522  -8.455  11.715
  499    HB   THR  65           HB       THR  65   5.409  -9.295  14.486
  500    HG1  THR  65          1HG       THR  65   5.070 -11.321  13.515
  501   1HG2  THR  65          1HG       THR  65   3.126 -10.422  14.520
  502   2HG2  THR  65          2HG       THR  65   3.112  -8.661  14.713
  503   3HG2  THR  65          3HG       THR  65   2.681  -9.377  13.143
  504    H    ASP  66           H        ASP  66   6.136  -6.558  14.353
  505    HA   ASP  66           HA       ASP  66   4.024  -4.891  15.075
  506   1HB   ASP  66          2HB       ASP  66   7.014  -4.513  14.765
  507   2HB   ASP  66          3HB       ASP  66   6.007  -3.100  15.079
  508    H    ALA  67           H        ALA  67   6.078  -4.838  12.193
  509    HA   ALA  67           HA       ALA  67   4.960  -2.339  11.207
  510   1HB   ALA  67          1HB       ALA  67   6.306  -2.840   9.232
  511   2HB   ALA  67          2HB       ALA  67   7.305  -3.039  10.687
  512   3HB   ALA  67          3HB       ALA  67   6.691  -4.456   9.844
  513    H    ARG  68           H        ARG  68   4.374  -5.865  10.646
  514    HA   ARG  68           HA       ARG  68   2.575  -5.409   8.534
  515   1HB   ARG  68          2HB       ARG  68   3.065  -7.628  10.438
  516   2HB   ARG  68          3HB       ARG  68   1.421  -7.602   9.862
  517   1HG   ARG  68          2HG       ARG  68   1.907  -8.271   7.799
  518   2HG   ARG  68          3HG       ARG  68   3.292  -7.215   7.639
  519   1HD   ARG  68          2HD       ARG  68   4.721  -8.887   7.980
  520   2HD   ARG  68          3HD       ARG  68   3.997  -9.242   9.550
  521    HE   ARG  68           HE       ARG  68   2.489 -10.269   7.286
  522   1HH1  ARG  68          2HH       ARG  68   5.117 -10.914   9.557
  523   2HH1  ARG  68          1HH       ARG  68   5.042 -12.630   9.425
  524   1HH2  ARG  68          2HH       ARG  68   2.340 -12.580   7.098
  525   2HH2  ARG  68          1HH       ARG  68   3.418 -13.598   7.981
  526    H    GLU  69           H        GLU  69   2.263  -4.961  12.089
  527    HA   GLU  69           HA       GLU  69  -0.613  -5.181  12.299
  528   1HB   GLU  69          2HB       GLU  69   1.684  -4.479  14.086
  529   2HB   GLU  69          3HB       GLU  69   0.215  -3.600  14.451
  530   1HG   GLU  69          2HG       GLU  69  -0.545  -6.326  14.031
  531   2HG   GLU  69          3HG       GLU  69   0.896  -6.348  15.045
  532    H    LEU  70           H        LEU  70   1.601  -2.301  12.098
  533    HA   LEU  70           HA       LEU  70  -0.441  -0.368  12.053
  534   1HB   LEU  70          2HB       LEU  70   2.316  -0.668  10.840
  535   2HB   LEU  70          3HB       LEU  70   1.372   0.774  10.588
  536    HG   LEU  70           HG       LEU  70   1.516  -0.153  13.393
  537   1HD1  LEU  70          1HD       LEU  70   3.995   0.892  11.937
  538   2HD1  LEU  70          2HD       LEU  70   3.838   0.747  13.707
  539   3HD1  LEU  70          3HD       LEU  70   3.809  -0.704  12.694
  540   1HD2  LEU  70          1HD       LEU  70   0.576   2.021  12.347
  541   2HD2  LEU  70          2HD       LEU  70   1.487   2.112  13.872
  542   3HD2  LEU  70          3HD       LEU  70   2.274   2.551  12.330
  543    H    SER  71           H        SER  71   0.726  -2.673   9.502
  544    HA   SER  71           HA       SER  71  -0.549  -1.541   7.398
  545   1HB   SER  71          2HB       SER  71  -0.719  -4.510   7.642
  546   2HB   SER  71          3HB       SER  71  -0.270  -3.490   6.262
  547    HG   SER  71           HG       SER  71   1.599  -4.240   6.917
  548    H    LYS  72           H        LYS  72  -2.042  -3.254  10.057
  549    HA   LYS  72           HA       LYS  72  -4.567  -3.787   8.901
  550   1HB   LYS  72          2HB       LYS  72  -3.452  -4.610  11.096
  551   2HB   LYS  72          3HB       LYS  72  -4.028  -3.106  11.812
  552   1HG   LYS  72          2HG       LYS  72  -6.227  -4.415  10.392
  553   2HG   LYS  72          3HG       LYS  72  -5.414  -5.575  11.447
  554   1HD   LYS  72          2HD       LYS  72  -5.569  -3.725  13.283
  555   2HD   LYS  72          3HD       LYS  72  -6.775  -2.979  12.200
  556   1HE   LYS  72          2HE       LYS  72  -8.050  -5.112  12.198
  557   2HE   LYS  72          3HE       LYS  72  -6.827  -5.851  13.247
  558   1HZ   LYS  72          1HZ       LYS  72  -8.269  -3.432  14.070
  559   2HZ   LYS  72          2HZ       LYS  72  -8.887  -4.933  14.343
  560   3HZ   LYS  72          3HZ       LYS  72  -7.443  -4.503  15.009
  561    H    THR  73           H        THR  73  -3.276  -0.726  10.174
  562    HA   THR  73           HA       THR  73  -5.989   0.467  10.002
  563    HB   THR  73           HB       THR  73  -4.298   0.712  11.970
  564    HG1  THR  73          1HG       THR  73  -5.544   2.307  12.551
  565   1HG2  THR  73          1HG       THR  73  -2.429   1.704  10.690
  566   2HG2  THR  73          2HG       THR  73  -3.478   3.082  10.255
  567   3HG2  THR  73          3HG       THR  73  -3.036   2.793  11.944
  568    H    PHE  74           H        PHE  74  -3.408  -0.121   7.944
  569    HA   PHE  74           HA       PHE  74  -3.632   2.401   6.377
  570   1HB   PHE  74          2HB       PHE  74  -1.960  -0.107   6.193
  571   2HB   PHE  74          3HB       PHE  74  -1.901   1.213   5.017
  572    HD1  PHE  74          1HD       PHE  74   0.453   0.831   5.500
  573    HD2  PHE  74          2HD       PHE  74  -2.223   2.456   8.448
  574    HE1  PHE  74          1HE       PHE  74   2.367   1.659   6.784
  575    HE2  PHE  74          2HE       PHE  74  -0.309   3.198   9.795
  576    HZ   PHE  74           HZ       PHE  74   1.984   2.737   8.999
  577    H    ILE  75           H        ILE  75  -4.548  -1.082   6.246
  578    HA   ILE  75           HA       ILE  75  -5.191  -1.117   3.492
  579    HB   ILE  75           HB       ILE  75  -5.394  -2.867   5.701
  580   1HG1  ILE  75          2HG       ILE  75  -6.227  -3.379   2.830
  581   2HG1  ILE  75          3HG       ILE  75  -4.557  -3.151   3.309
  582   1HG2  ILE  75          1HG       ILE  75  -7.804  -2.282   5.949
  583   2HG2  ILE  75          2HG       ILE  75  -8.065  -2.720   4.232
  584   3HG2  ILE  75          3HG       ILE  75  -7.578  -3.942   5.418
  585   1HD1  ILE  75          1HD       ILE  75  -6.434  -5.348   4.180
  586   2HD1  ILE  75          2HD       ILE  75  -4.862  -5.487   3.366
  587   3HD1  ILE  75          3HD       ILE  75  -4.922  -4.997   5.058
  588    H    ILE  76           H        ILE  76  -6.689  -0.277   2.317
  589    HA   ILE  76           HA       ILE  76  -8.937   1.115   3.711
  590    HB   ILE  76           HB       ILE  76  -8.937   2.684   1.767
  591   1HG1  ILE  76          2HG       ILE  76  -6.680   3.008   0.647
  592   2HG1  ILE  76          3HG       ILE  76  -6.229   1.375   1.138
  593   1HG2  ILE  76          1HG       ILE  76  -7.354   4.104   2.685
  594   2HG2  ILE  76          2HG       ILE  76  -7.852   3.069   4.050
  595   3HG2  ILE  76          3HG       ILE  76  -6.310   2.772   3.216
  596   1HD1  ILE  76          1HD       ILE  76  -8.183   0.537  -0.167
  597   2HD1  ILE  76          2HD       ILE  76  -8.609   2.228  -0.512
  598   3HD1  ILE  76          3HD       ILE  76  -7.108   1.537  -1.169
  599    H    GLY  77           H        GLY  77  -8.317  -1.661   2.070
  600   1HA   GLY  77          2HA       GLY  77 -10.955  -2.341   1.503
  601   2HA   GLY  77          3HA       GLY  77 -10.349  -1.570   0.034
  602    H    GLU  78           H        GLU  78 -10.603  -3.876  -0.875
  603    HA   GLU  78           HA       GLU  78  -8.006  -5.220  -0.652
  604   1HB   GLU  78          2HB       GLU  78  -9.136  -7.426  -0.759
  605   2HB   GLU  78          3HB       GLU  78  -9.385  -6.556   0.751
  606   1HG   GLU  78          2HG       GLU  78 -11.551  -5.787  -0.954
  607   2HG   GLU  78          3HG       GLU  78 -11.344  -7.520  -1.166
  608    H    LEU  79           H        LEU  79  -7.556  -6.484  -2.818
  609    HA   LEU  79           HA       LEU  79  -8.317  -4.859  -5.016
  610   1HB   LEU  79          2HB       LEU  79  -6.806  -7.412  -4.534
  611   2HB   LEU  79          3HB       LEU  79  -7.540  -7.253  -6.122
  612    HG   LEU  79           HG       LEU  79  -6.460  -5.155  -6.524
  613   1HD1  LEU  79          1HD       LEU  79  -6.105  -3.928  -4.678
  614   2HD1  LEU  79          2HD       LEU  79  -5.643  -5.317  -3.656
  615   3HD1  LEU  79          3HD       LEU  79  -4.490  -4.613  -4.798
  616   1HD2  LEU  79          1HD       LEU  79  -5.239  -7.460  -6.791
  617   2HD2  LEU  79          2HD       LEU  79  -4.307  -5.958  -6.973
  618   3HD2  LEU  79          3HD       LEU  79  -4.229  -6.857  -5.462
  619    H    HIS  80           H        HIS  80  -9.866  -5.119  -6.563
  620    HA   HIS  80           HA       HIS  80 -12.306  -6.225  -6.013
  621   1HB   HIS  80          2HB       HIS  80 -10.917  -5.325  -8.472
  622   2HB   HIS  80          3HB       HIS  80 -12.139  -6.545  -8.790
  623    HD1  HIS  80           HD1      HIS  80 -14.131  -5.150  -9.686
  624    HD2  HIS  80           HD2      HIS  80 -12.358  -3.672  -6.174
  625    HE1  HIS  80           HE1      HIS  80 -15.595  -3.195  -8.884
  626    HA   PRO  81           HA       PRO  81 -12.094 -10.473  -6.236
  627   1HB   PRO  81          2HB       PRO  81 -14.646 -11.240  -6.994
  628   2HB   PRO  81          3HB       PRO  81 -14.232 -10.532  -5.403
  629   1HG   PRO  81          2HG       PRO  81 -15.420  -9.158  -7.817
  630   2HG   PRO  81          3HG       PRO  81 -15.833  -8.946  -6.087
  631   1HD   PRO  81          2HD       PRO  81 -14.181  -7.241  -7.496
  632   2HD   PRO  81          3HD       PRO  81 -14.036  -7.512  -5.731
  633    H    ASP  82           H        ASP  82 -13.662  -9.223  -9.256
  634    HA   ASP  82           HA       ASP  82 -13.025 -11.384 -10.963
  635   1HB   ASP  82          2HB       ASP  82 -13.394  -8.398 -11.316
  636   2HB   ASP  82          3HB       ASP  82 -12.786  -9.359 -12.667
  637    H    ASP  83           H        ASP  83 -11.101  -8.691  -9.731
  638    HA   ASP  83           HA       ASP  83  -8.744  -9.580 -11.270
  639   1HB   ASP  83          2HB       ASP  83  -8.990  -7.079  -9.574
  640   2HB   ASP  83          3HB       ASP  83  -7.821  -7.485 -10.836
  641    H    ARG  84           H        ARG  84  -9.767 -11.143  -8.965
  642    HA   ARG  84           HA       ARG  84  -7.530 -10.668  -7.025
  643   1HB   ARG  84          2HB       ARG  84  -9.804 -10.601  -6.105
  644   2HB   ARG  84          3HB       ARG  84 -10.095 -12.263  -6.660
  645   1HG   ARG  84          2HG       ARG  84  -8.352 -13.102  -5.177
  646   2HG   ARG  84          3HG       ARG  84  -7.866 -11.447  -4.750
  647   1HD   ARG  84          2HD       ARG  84 -10.122 -11.042  -3.795
  648   2HD   ARG  84          3HD       ARG  84 -10.590 -12.704  -4.168
  649    HE   ARG  84           HE       ARG  84  -8.949 -11.730  -1.995
  650   1HH1  ARG  84          2HH       ARG  84  -9.601 -14.567  -3.993
  651   2HH1  ARG  84          1HH       ARG  84  -8.945 -15.718  -2.886
  652   1HH2  ARG  84          2HH       ARG  84  -8.050 -13.244  -0.483
  653   2HH2  ARG  84          1HH       ARG  84  -8.044 -14.935  -0.830
  654    H    SER  85           H        SER  85  -8.949 -13.145  -9.140
  655    HA   SER  85           HA       SER  85  -6.674 -14.943  -8.412
  656   1HB   SER  85          2HB       SER  85  -9.376 -15.353  -7.943
  657   2HB   SER  85          3HB       SER  85  -9.105 -16.262  -9.437
  658    HG   SER  85           HG       SER  85  -7.898 -17.621  -8.347
  659    H    LYS  86           H        LYS  86  -6.868 -12.852 -10.540
  660    HA   LYS  86           HA       LYS  86  -6.053 -14.510 -12.825
  661   1HB   LYS  86          2HB       LYS  86  -8.565 -14.206 -12.992
  662   2HB   LYS  86          3HB       LYS  86  -8.293 -12.464 -13.039
  663   1HG   LYS  86          2HG       LYS  86  -6.547 -13.423 -15.020
  664   2HG   LYS  86          3HG       LYS  86  -7.861 -14.570 -15.125
  665   1HD   LYS  86          2HD       LYS  86  -8.780 -11.735 -15.001
  666   2HD   LYS  86          3HD       LYS  86  -7.714 -12.090 -16.363
  667   1HE   LYS  86          2HE       LYS  86  -9.153 -14.059 -16.941
  668   2HE   LYS  86          3HE       LYS  86 -10.265 -13.591 -15.640
  669   1HZ   LYS  86          1HZ       LYS  86 -11.029 -12.717 -17.713
  670   2HZ   LYS  86          2HZ       LYS  86 -10.525 -11.452 -16.789
  671   3HZ   LYS  86          3HZ       LYS  86  -9.584 -11.996 -18.029
  672    H    LEU  87           H        LEU  87  -4.302 -13.148 -11.356
  673    HA   LEU  87           HA       LEU  87  -3.763 -10.583 -12.795
  674   1HB   LEU  87          2HB       LEU  87  -3.122 -11.355  -9.934
  675   2HB   LEU  87          3HB       LEU  87  -2.570  -9.866 -10.694
  676    HG   LEU  87           HG       LEU  87  -5.524 -10.282 -10.758
  677   1HD1  LEU  87          1HD       LEU  87  -3.914 -10.322  -8.238
  678   2HD1  LEU  87          2HD       LEU  87  -5.219  -9.153  -8.281
  679   3HD1  LEU  87          3HD       LEU  87  -5.569 -10.864  -8.575
  680   1HD2  LEU  87          1HD       LEU  87  -3.974  -7.840  -9.857
  681   2HD2  LEU  87          2HD       LEU  87  -4.163  -8.233 -11.585
  682   3HD2  LEU  87          3HD       LEU  87  -5.589  -7.952 -10.577
  683    H    SER  88           H        SER  88  -1.184 -10.215 -12.193
  684    HA   SER  88           HA       SER  88   0.933 -10.801 -12.617
  685   1HB   SER  88          2HB       SER  88   0.900 -12.313 -10.777
  686   2HB   SER  88          3HB       SER  88   0.009 -13.542 -11.680
  687    HG   SER  88           HG       SER  88   2.662 -12.663 -12.158
  688    H    LYS  89           H        LYS  89  -0.668 -13.792 -13.836
  689    HA   LYS  89           HA       LYS  89   0.221 -12.992 -16.553
  690   1HB   LYS  89          2HB       LYS  89   1.041 -15.247 -14.987
  691   2HB   LYS  89          3HB       LYS  89   0.064 -15.876 -16.311
  692   1HG   LYS  89          2HG       LYS  89   1.538 -15.141 -17.948
  693   2HG   LYS  89          3HG       LYS  89   2.077 -13.748 -16.997
  694   1HD   LYS  89          2HD       LYS  89   3.298 -15.241 -15.457
  695   2HD   LYS  89          3HD       LYS  89   2.924 -16.622 -16.521
  696   1HE   LYS  89          2HE       LYS  89   4.201 -15.733 -18.310
  697   2HE   LYS  89          3HE       LYS  89   4.092 -14.083 -17.681
  698   1HZ   LYS  89          1HZ       LYS  89   6.276 -14.917 -17.341
  699   2HZ   LYS  89          2HZ       LYS  89   5.553 -14.731 -15.878
  700   3HZ   LYS  89          3HZ       LYS  89   5.731 -16.238 -16.522
  701    HA   PRO  90           HA       PRO  90  -4.297 -13.346 -16.552
  702   1HB   PRO  90          2HB       PRO  90  -4.691 -11.682 -18.746
  703   2HB   PRO  90          3HB       PRO  90  -4.567 -11.125 -17.053
  704   1HG   PRO  90          2HG       PRO  90  -2.501 -11.013 -19.224
  705   2HG   PRO  90          3HG       PRO  90  -2.780  -9.879 -17.868
  706   1HD   PRO  90          2HD       PRO  90  -0.802 -11.849 -17.973
  707   2HD   PRO  90          3HD       PRO  90  -1.402 -11.097 -16.465
  708    H    MET  91           H        MET  91  -1.940 -13.568 -19.159
  709    HA   MET  91           HA       MET  91  -1.642 -14.849 -20.944
  710   1HB   MET  91          2HB       MET  91  -3.079 -16.667 -19.200
  711   2HB   MET  91          3HB       MET  91  -3.672 -16.861 -20.846
  712   1HG   MET  91          2HG       MET  91  -1.921 -18.329 -20.849
  713   2HG   MET  91          3HG       MET  91  -1.116 -16.903 -21.485
  714   1HE   MET  91          1HE       MET  91  -1.518 -19.480 -18.657
  715   2HE   MET  91          2HE       MET  91  -0.224 -19.799 -19.835
  716   3HE   MET  91          3HE       MET  91   0.178 -19.514 -18.128
  717    H    GLU  92           H        GLU  92  -2.677 -15.353 -23.126
  718    HA   GLU  92           HA       GLU  92  -5.377 -14.361 -23.426
  719   1HB   GLU  92          2HB       GLU  92  -3.502 -12.426 -23.848
  720   2HB   GLU  92          3HB       GLU  92  -3.442 -13.230 -25.423
  721   1HG   GLU  92          2HG       GLU  92  -6.163 -13.070 -25.054
  722   2HG   GLU  92          3HG       GLU  92  -5.657 -11.690 -24.091
  723    H    THR  93           H        THR  93  -5.817 -14.701 -26.068
  724    HA   THR  93           HA       THR  93  -4.623 -17.352 -26.662
  725    HB   THR  93           HB       THR  93  -6.773 -17.773 -27.840
  726    HG1  THR  93          1HG       THR  93  -7.468 -15.718 -28.259
  727   1HG2  THR  93          1HG       THR  93  -7.082 -16.973 -24.902
  728   2HG2  THR  93          2HG       THR  93  -8.130 -18.083 -25.798
  729   3HG2  THR  93          3HG       THR  93  -6.435 -18.515 -25.495
  730    H    LEU  94           H        LEU  94  -4.919 -17.697 -29.161
  731    HA   LEU  94           HA       LEU  94  -3.662 -15.478 -30.625
  732   1HB   LEU  94          2HB       LEU  94  -2.915 -17.659 -31.152
  733   2HB   LEU  94          3HB       LEU  94  -4.544 -18.322 -31.289
  734    HG   LEU  94           HG       LEU  94  -3.701 -16.125 -33.189
  735   1HD1  LEU  94          1HD       LEU  94  -3.256 -18.749 -34.363
  736   2HD1  LEU  94          2HD       LEU  94  -2.179 -17.347 -34.273
  737   3HD1  LEU  94          3HD       LEU  94  -2.200 -18.539 -32.967
  738   1HD2  LEU  94          1HD       LEU  94  -5.528 -18.582 -33.374
  739   2HD2  LEU  94          2HD       LEU  94  -6.046 -16.891 -33.310
  740   3HD2  LEU  94          3HD       LEU  94  -5.189 -17.479 -34.729
  741    HHA  HEM  95          MHG       HEM  95  11.861  -0.673   8.730
  742    HHB  HEM  95          MHD       HEM  95   5.531  -0.235   9.599
  743    HHC  HEM  95          MHA       HEM  95   4.685  -0.535   3.225
  744    HHD  HEM  95          MHB       HEM  95  11.020   0.064   2.341
  745   1HMA  HEM  95          1HM       HEM  95   6.569  -0.991  11.594
  746   2HMA  HEM  95          2HM       HEM  95   8.094  -0.693  12.420
  747   3HMA  HEM  95          3HM       HEM  95   7.154   0.661  11.768
  748   1HAA  HEM  95          1HP       HEM  95  11.090  -1.866  10.689
  749   2HAA  HEM  95          2HP       HEM  95  10.162  -1.269  12.041
  750   1HBA  HEM  95          3HP       HEM  95  11.259   0.754  12.154
  751   2HBA  HEM  95          4HP       HEM  95  11.594   0.815  10.432
  752   1HMB  HEM  95          1HM       HEM  95   3.443  -1.026   9.044
  753   2HMB  HEM  95          2HM       HEM  95   3.150   0.663   8.738
  754   3HMB  HEM  95          3HM       HEM  95   2.169  -0.591   7.902
  755    HAB  HEM  95          AHT       HEM  95   2.570   0.100   4.296
  756   1HBB  HEM  95          CHV       HEM  95   2.178  -2.372   5.998
  757   2HBB  HEM  95          THV       HEM  95   0.957  -1.657   4.772
  758   1HMC  HEM  95          1HM       HEM  95   5.340  -1.392   1.149
  759   2HMC  HEM  95          2HM       HEM  95   5.360   0.331   0.698
  760   3HMC  HEM  95          3HM       HEM  95   6.423  -0.846  -0.119
  761    HAC  HEM  95          AHT       HEM  95  10.093  -0.383   0.311
  762   1HBC  HEM  95          THV       HEM  95   9.116   0.613  -1.635
  763   2HBC  HEM  95          CHV       HEM  95   7.581   1.050  -0.680
  764   1HMD  HEM  95          1HM       HEM  95  13.122  -0.095   2.686
  765   2HMD  HEM  95          2HM       HEM  95  13.687   1.240   3.707
  766   3HMD  HEM  95          3HM       HEM  95  14.367  -0.395   3.861
  767   1HAD  HEM  95          1HP       HEM  95  13.745  -0.553   7.857
  768   2HAD  HEM  95          2HP       HEM  95  14.157   0.873   6.931
  769   1HBD  HEM  95          3HP       HEM  95  15.669  -0.283   5.632
  770   2HBD  HEM  95          4HP       HEM  95  14.704  -1.780   5.646
  Start of MODEL   29
    1   1H    ASP   1           H1       ASP   1 -19.736  -3.854   9.866
    2   2H    ASP   1           H2       ASP   1 -19.735  -2.258  10.229
    3   3H    ASP   1           H3       ASP   1 -21.074  -2.930   9.515
    4    HA   ASP   1           HA       ASP   1 -20.133  -3.052   7.472
    5   1HB   ASP   1          2HB       ASP   1 -20.229  -0.659   8.550
    6   2HB   ASP   1          3HB       ASP   1 -18.461  -0.755   8.494
    7    H    LYS   2           H        LYS   2 -17.716  -2.809   6.238
    8    HA   LYS   2           HA       LYS   2 -15.727  -4.128   7.949
    9   1HB   LYS   2          2HB       LYS   2 -17.037  -5.385   5.526
   10   2HB   LYS   2          3HB       LYS   2 -15.297  -5.502   5.645
   11   1HG   LYS   2          2HG       LYS   2 -16.106  -6.173   8.230
   12   2HG   LYS   2          3HG       LYS   2 -17.349  -6.917   7.226
   13   1HD   LYS   2          2HD       LYS   2 -15.695  -8.260   6.061
   14   2HD   LYS   2          3HD       LYS   2 -14.374  -7.236   6.645
   15   1HE   LYS   2          2HE       LYS   2 -14.073  -8.844   8.189
   16   2HE   LYS   2          3HE       LYS   2 -15.329  -7.941   9.038
   17   1HZ   LYS   2          1HZ       LYS   2 -15.590 -10.450   7.535
   18   2HZ   LYS   2          2HZ       LYS   2 -15.995 -10.145   9.096
   19   3HZ   LYS   2          3HZ       LYS   2 -16.913  -9.529   7.878
   20    H    ASP   3           H        ASP   3 -13.663  -3.518   7.417
   21    HA   ASP   3           HA       ASP   3 -13.415  -1.021   5.994
   22   1HB   ASP   3          2HB       ASP   3 -11.567  -2.857   7.551
   23   2HB   ASP   3          3HB       ASP   3 -10.893  -1.528   6.601
   24    H    VAL   4           H        VAL   4 -14.314  -2.237   3.941
   25    HA   VAL   4           HA       VAL   4 -12.027  -2.929   2.300
   26    HB   VAL   4           HB       VAL   4 -14.417  -4.784   2.259
   27   1HG1  VAL   4          1HG       VAL   4 -11.510  -4.852   1.423
   28   2HG1  VAL   4          2HG       VAL   4 -12.589  -6.254   1.301
   29   3HG1  VAL   4          3HG       VAL   4 -12.928  -4.785   0.351
   30   1HG2  VAL   4          1HG       VAL   4 -13.494  -4.983   4.566
   31   2HG2  VAL   4          2HG       VAL   4 -13.191  -6.423   3.591
   32   3HG2  VAL   4          3HG       VAL   4 -11.882  -5.252   3.877
   33    H    LYS   5           H        LYS   5 -12.447  -0.974   1.125
   34    HA   LYS   5           HA       LYS   5 -15.185  -0.574   0.263
   35   1HB   LYS   5          2HB       LYS   5 -13.060   1.142   0.743
   36   2HB   LYS   5          3HB       LYS   5 -13.122   1.063  -1.013
   37   1HG   LYS   5          2HG       LYS   5 -15.847   1.370  -0.140
   38   2HG   LYS   5          3HG       LYS   5 -14.872   2.432   0.870
   39   1HD   LYS   5          2HD       LYS   5 -13.807   3.043  -1.526
   40   2HD   LYS   5          3HD       LYS   5 -15.358   2.472  -2.105
   41   1HE   LYS   5          2HE       LYS   5 -15.471   4.856  -1.812
   42   2HE   LYS   5          3HE       LYS   5 -16.436   4.133  -0.508
   43   1HZ   LYS   5          1HZ       LYS   5 -14.962   5.890   0.278
   44   2HZ   LYS   5          2HZ       LYS   5 -14.529   4.451   0.950
   45   3HZ   LYS   5          3HZ       LYS   5 -13.645   5.079  -0.294
   46    H    TYR   6           H        TYR   6 -12.984  -2.676  -0.867
   47    HA   TYR   6           HA       TYR   6 -12.314  -3.603  -2.754
   48   1HB   TYR   6          2HB       TYR   6 -15.216  -3.221  -3.449
   49   2HB   TYR   6          3HB       TYR   6 -14.136  -4.489  -4.028
   50    HD1  TYR   6           HD1      TYR   6 -16.121  -3.237  -1.179
   51    HD2  TYR   6           HD2      TYR   6 -13.539  -6.409  -2.553
   52    HE1  TYR   6           HE1      TYR   6 -16.750  -4.591   0.785
   53    HE2  TYR   6           HE2      TYR   6 -14.173  -7.775  -0.591
   54    HH   TYR   6           HH       TYR   6 -15.126  -7.619   1.590
   55    H    TYR   7           H        TYR   7 -10.769  -2.207  -4.043
   56    HA   TYR   7           HA       TYR   7 -12.034  -0.309  -5.865
   57   1HB   TYR   7          2HB       TYR   7  -9.438  -0.505  -4.304
   58   2HB   TYR   7          3HB       TYR   7  -9.486   0.381  -5.756
   59    HD1  TYR   7           HD1      TYR   7 -10.367   0.405  -2.228
   60    HD2  TYR   7           HD2      TYR   7 -11.156   2.328  -5.987
   61    HE1  TYR   7           HE1      TYR   7 -11.209   2.389  -1.030
   62    HE2  TYR   7           HE2      TYR   7 -12.022   4.323  -4.819
   63    HH   TYR   7           HH       TYR   7 -11.358   4.921  -1.612
   64    H    THR   8           H        THR   8 -11.036  -0.249  -8.005
   65    HA   THR   8           HA       THR   8 -10.289  -2.957  -8.937
   66    HB   THR   8           HB       THR   8 -10.837  -2.103 -11.139
   67    HG1  THR   8          1HG       THR   8 -11.544   0.113 -11.310
   68   1HG2  THR   8          1HG       THR   8 -13.158  -1.872 -10.886
   69   2HG2  THR   8          2HG       THR   8 -12.670  -2.608  -9.354
   70   3HG2  THR   8          3HG       THR   8 -13.008  -0.874  -9.413
   71    H    LEU   9           H        LEU   9  -8.407  -3.088 -10.502
   72    HA   LEU   9           HA       LEU   9  -6.138  -1.854  -9.390
   73   1HB   LEU   9          2HB       LEU   9  -6.381  -2.846 -12.253
   74   2HB   LEU   9          3HB       LEU   9  -4.901  -2.544 -11.360
   75    HG   LEU   9           HG       LEU   9  -5.127  -4.837 -11.292
   76   1HD1  LEU   9          1HD       LEU   9  -6.415  -3.984  -8.658
   77   2HD1  LEU   9          2HD       LEU   9  -5.525  -5.479  -8.976
   78   3HD1  LEU   9          3HD       LEU   9  -4.672  -3.922  -9.017
   79   1HD2  LEU   9          1HD       LEU   9  -6.981  -6.073 -11.240
   80   2HD2  LEU   9          2HD       LEU   9  -7.899  -5.004 -10.176
   81   3HD2  LEU   9          3HD       LEU   9  -7.720  -4.631 -11.912
   82    H    GLU  10           H        GLU  10  -8.243  -0.747 -12.008
   83    HA   GLU  10           HA       GLU  10  -6.695   1.449 -12.933
   84   1HB   GLU  10          2HB       GLU  10  -9.554   0.598 -13.003
   85   2HB   GLU  10          3HB       GLU  10  -9.268   2.343 -13.156
   86   1HG   GLU  10          2HG       GLU  10  -7.728   2.010 -15.001
   87   2HG   GLU  10          3HG       GLU  10  -7.792   0.253 -14.804
   88    H    GLU  11           H        GLU  11  -9.081   1.271 -10.135
   89    HA   GLU  11           HA       GLU  11  -8.712   4.014  -9.503
   90   1HB   GLU  11          2HB       GLU  11  -9.578   1.600  -7.862
   91   2HB   GLU  11          3HB       GLU  11  -9.560   3.255  -7.278
   92   1HG   GLU  11          2HG       GLU  11 -11.179   2.174  -9.586
   93   2HG   GLU  11          3HG       GLU  11 -11.793   2.653  -8.019
   94    H    ILE  12           H        ILE  12  -6.935   1.018  -8.294
   95    HA   ILE  12           HA       ILE  12  -5.413   2.581  -6.537
   96    HB   ILE  12           HB       ILE  12  -4.716   0.007  -8.012
   97   1HG1  ILE  12          2HG       ILE  12  -5.044  -0.425  -5.311
   98   2HG1  ILE  12          3HG       ILE  12  -6.284   0.757  -5.590
   99   1HG2  ILE  12          1HG       ILE  12  -3.097   0.038  -5.784
  100   2HG2  ILE  12          2HG       ILE  12  -2.594   0.588  -7.379
  101   3HG2  ILE  12          3HG       ILE  12  -3.151   1.745  -6.135
  102   1HD1  ILE  12          1HD       ILE  12  -6.806  -1.769  -5.633
  103   2HD1  ILE  12          2HD       ILE  12  -7.487  -0.763  -6.874
  104   3HD1  ILE  12          3HD       ILE  12  -6.051  -1.784  -7.234
  105    H    LYS  13           H        LYS  13  -5.082   2.136 -10.027
  106    HA   LYS  13           HA       LYS  13  -2.574   3.667 -10.197
  107   1HB   LYS  13          2HB       LYS  13  -4.487   2.456 -12.241
  108   2HB   LYS  13          3HB       LYS  13  -3.007   3.308 -12.698
  109   1HG   LYS  13          2HG       LYS  13  -1.611   1.624 -11.994
  110   2HG   LYS  13          3HG       LYS  13  -2.619   1.202 -10.627
  111   1HD   LYS  13          2HD       LYS  13  -2.993  -0.674 -11.783
  112   2HD   LYS  13          3HD       LYS  13  -4.255   0.272 -12.562
  113   1HE   LYS  13          2HE       LYS  13  -1.683   0.665 -13.890
  114   2HE   LYS  13          3HE       LYS  13  -2.064  -1.056 -13.754
  115   1HZ   LYS  13          1HZ       LYS  13  -4.111  -0.703 -14.866
  116   2HZ   LYS  13          2HZ       LYS  13  -3.943   0.933 -14.850
  117   3HZ   LYS  13          3HZ       LYS  13  -2.942   0.010 -15.775
  118    H    LYS  14           H        LYS  14  -5.300   4.780  -9.210
  119    HA   LYS  14           HA       LYS  14  -5.028   7.390 -10.595
  120   1HB   LYS  14          2HB       LYS  14  -7.552   6.019  -9.579
  121   2HB   LYS  14          3HB       LYS  14  -7.482   7.727 -10.022
  122   1HG   LYS  14          2HG       LYS  14  -6.973   7.235 -12.316
  123   2HG   LYS  14          3HG       LYS  14  -6.606   5.561 -11.957
  124   1HD   LYS  14          2HD       LYS  14  -8.652   5.388 -12.959
  125   2HD   LYS  14          3HD       LYS  14  -9.070   5.282 -11.262
  126   1HE   LYS  14          2HE       LYS  14  -9.120   7.959 -12.692
  127   2HE   LYS  14          3HE       LYS  14 -10.421   6.786 -12.936
  128   1HZ   LYS  14          1HZ       LYS  14 -10.388   6.746 -10.329
  129   2HZ   LYS  14          2HZ       LYS  14  -9.825   8.301 -10.550
  130   3HZ   LYS  14          3HZ       LYS  14 -11.267   7.816 -11.182
  131    H    HIS  15           H        HIS  15  -4.237   5.736  -7.824
  132    HA   HIS  15           HA       HIS  15  -4.506   8.182  -6.162
  133   1HB   HIS  15          2HB       HIS  15  -4.698   5.276  -5.369
  134   2HB   HIS  15          3HB       HIS  15  -4.630   6.630  -4.231
  135    HD1  HIS  15           HD1      HIS  15  -6.821   8.514  -4.730
  136    HD2  HIS  15           HD2      HIS  15  -7.105   4.476  -5.845
  137    HE1  HIS  15           HE1      HIS  15  -9.312   7.999  -5.040
  138    H    ASN  16           H        ASN  16  -2.506   7.518  -8.068
  139    HA   ASN  16           HA       ASN  16  -0.137   6.757  -6.394
  140   1HB   ASN  16          2HB       ASN  16   1.085   6.803  -8.645
  141   2HB   ASN  16          3HB       ASN  16  -0.076   5.511  -8.355
  142   1HD2  ASN  16          1HD       ASN  16   0.180   8.742  -9.939
  143   2HD2  ASN  16          2HD       ASN  16  -1.060   8.363 -11.146
  144    H    HIS  17           H        HIS  17  -0.788   8.947  -5.249
  145    HA   HIS  17           HA       HIS  17   0.890  11.066  -6.463
  146   1HB   HIS  17          2HB       HIS  17  -1.885  11.553  -5.345
  147   2HB   HIS  17          3HB       HIS  17  -0.805  12.756  -6.059
  148    HD1  HIS  17           HD1      HIS  17  -0.536  12.586  -8.813
  149    HD2  HIS  17           HD2      HIS  17  -3.400  10.105  -6.970
  150    HE1  HIS  17           HE1      HIS  17  -2.057  11.705 -10.668
  151    H    SER  18           H        SER  18   1.385  12.825  -4.735
  152    HA   SER  18           HA       SER  18   2.104  11.536  -2.279
  153   1HB   SER  18          2HB       SER  18   2.827  13.896  -1.727
  154   2HB   SER  18          3HB       SER  18   3.498  13.225  -3.229
  155    HG   SER  18           HG       SER  18   2.557  15.416  -3.325
  156    H    LYS  19           H        LYS  19  -0.885  12.819  -3.285
  157    HA   LYS  19           HA       LYS  19  -1.694  13.555  -0.514
  158   1HB   LYS  19          2HB       LYS  19  -3.681  14.516  -1.523
  159   2HB   LYS  19          3HB       LYS  19  -2.230  15.148  -2.309
  160   1HG   LYS  19          2HG       LYS  19  -2.554  13.530  -4.183
  161   2HG   LYS  19          3HG       LYS  19  -4.046  12.947  -3.429
  162   1HD   LYS  19          2HD       LYS  19  -3.616  15.876  -4.103
  163   2HD   LYS  19          3HD       LYS  19  -4.214  14.718  -5.305
  164   1HE   LYS  19          2HE       LYS  19  -6.142  14.168  -3.984
  165   2HE   LYS  19          3HE       LYS  19  -5.540  15.076  -2.589
  166   1HZ   LYS  19          1HZ       LYS  19  -7.229  16.266  -3.880
  167   2HZ   LYS  19          2HZ       LYS  19  -5.812  17.095  -3.799
  168   3HZ   LYS  19          3HZ       LYS  19  -6.226  16.305  -5.184
  169    H    SER  20           H        SER  20  -1.668  10.799  -2.514
  170    HA   SER  20           HA       SER  20  -3.623   9.407  -0.811
  171   1HB   SER  20          2HB       SER  20  -4.075  10.127  -3.725
  172   2HB   SER  20          3HB       SER  20  -4.769   8.650  -3.076
  173    HG   SER  20           HG       SER  20  -5.200  10.731  -1.381
  174    H    THR  21           H        THR  21  -0.773   9.207  -1.122
  175    HA   THR  21           HA       THR  21   0.255   7.437  -2.992
  176    HB   THR  21           HB       THR  21   0.919   7.868  -0.060
  177    HG1  THR  21          1HG       THR  21   1.048   9.545  -1.862
  178   1HG2  THR  21          1HG       THR  21   1.957   5.732  -0.874
  179   2HG2  THR  21          2HG       THR  21   2.660   6.615  -2.236
  180   3HG2  THR  21          3HG       THR  21   3.113   7.006  -0.542
  181    H    TRP  22           H        TRP  22  -1.387   5.920  -3.451
  182    HA   TRP  22           HA       TRP  22  -1.856   3.794  -1.465
  183   1HB   TRP  22          2HB       TRP  22  -2.843   4.481  -4.246
  184   2HB   TRP  22          3HB       TRP  22  -3.137   2.895  -3.562
  185    HD1  TRP  22           HD1      TRP  22  -3.324   5.781  -1.120
  186    HE1  TRP  22           HE1      TRP  22  -5.720   6.140  -0.406
  187    HE3  TRP  22           HE3      TRP  22  -5.492   2.535  -4.350
  188    HZ2  TRP  22           HZ2      TRP  22  -8.365   5.313  -1.371
  189    HZ3  TRP  22           HZ3      TRP  22  -7.985   2.355  -4.492
  190    HH2  TRP  22           HH2      TRP  22  -9.367   3.813  -3.086
  191    H    LEU  23           H        LEU  23  -1.743   1.560  -2.454
  192    HA   LEU  23           HA       LEU  23   0.079   0.961  -4.547
  193   1HB   LEU  23          2HB       LEU  23   1.863  -0.055  -3.038
  194   2HB   LEU  23          3HB       LEU  23   1.848   1.680  -3.211
  195    HG   LEU  23           HG       LEU  23   0.508   1.751  -0.950
  196   1HD1  LEU  23          1HD       LEU  23   0.045  -0.730  -1.015
  197   2HD1  LEU  23          2HD       LEU  23   1.780  -0.945  -0.819
  198   3HD1  LEU  23          3HD       LEU  23   0.836  -0.161   0.473
  199   1HD2  LEU  23          1HD       LEU  23   2.570   2.561  -0.523
  200   2HD2  LEU  23          2HD       LEU  23   2.912   0.938   0.120
  201   3HD2  LEU  23          3HD       LEU  23   3.389   1.347  -1.522
  202    H    ILE  24           H        ILE  24   0.528  -1.562  -4.417
  203    HA   ILE  24           HA       ILE  24  -1.936  -2.896  -3.394
  204    HB   ILE  24           HB       ILE  24  -0.071  -3.370  -5.837
  205   1HG1  ILE  24          2HG       ILE  24  -3.010  -3.526  -5.827
  206   2HG1  ILE  24          3HG       ILE  24  -2.328  -1.916  -5.571
  207   1HG2  ILE  24          1HG       ILE  24  -0.496  -5.632  -5.021
  208   2HG2  ILE  24          2HG       ILE  24  -2.174  -5.203  -4.614
  209   3HG2  ILE  24          3HG       ILE  24  -1.676  -5.335  -6.307
  210   1HD1  ILE  24          1HD       ILE  24  -0.951  -2.091  -7.649
  211   2HD1  ILE  24          2HD       ILE  24  -1.721  -3.648  -8.010
  212   3HD1  ILE  24          3HD       ILE  24  -2.683  -2.152  -8.001
  213    H    LEU  25           H        LEU  25  -1.020  -3.470  -1.395
  214    HA   LEU  25           HA       LEU  25   1.491  -5.020  -1.525
  215   1HB   LEU  25          2HB       LEU  25   0.166  -3.397   0.596
  216   2HB   LEU  25          3HB       LEU  25   0.996  -4.864   1.137
  217    HG   LEU  25           HG       LEU  25   2.285  -2.873  -0.724
  218   1HD1  LEU  25          1HD       LEU  25   1.470  -2.058   1.732
  219   2HD1  LEU  25          2HD       LEU  25   2.953  -2.914   2.203
  220   3HD1  LEU  25          3HD       LEU  25   3.018  -1.559   1.046
  221   1HD2  LEU  25          1HD       LEU  25   3.402  -4.986   1.111
  222   2HD2  LEU  25          2HD       LEU  25   3.302  -4.971  -0.664
  223   3HD2  LEU  25          3HD       LEU  25   4.350  -3.812   0.144
  224    H    HIS  26           H        HIS  26   0.776  -6.899  -2.356
  225    HA   HIS  26           HA       HIS  26  -0.154  -8.959  -2.302
  226   1HB   HIS  26          2HB       HIS  26  -1.553  -8.321   0.331
  227   2HB   HIS  26          3HB       HIS  26  -1.190  -9.890  -0.340
  228    HD1  HIS  26           HD1      HIS  26   1.288 -10.850   0.086
  229    HD2  HIS  26           HD2      HIS  26   0.521  -6.968   1.525
  230    HE1  HIS  26           HE1      HIS  26   3.274 -10.197   1.553
  231    H    HIS  27           H        HIS  27  -2.607  -9.654  -1.737
  232    HA   HIS  27           HA       HIS  27  -4.495  -8.623  -3.630
  233   1HB   HIS  27          2HB       HIS  27  -5.953 -10.428  -2.750
  234   2HB   HIS  27          3HB       HIS  27  -4.411 -10.979  -3.367
  235    HD1  HIS  27           HD1      HIS  27  -2.860 -12.309  -1.706
  236    HD2  HIS  27           HD2      HIS  27  -6.353 -10.648  -0.018
  237    HE1  HIS  27           HE1      HIS  27  -3.096 -13.312   0.631
  238    H    LYS  28           H        LYS  28  -3.712  -6.610  -1.581
  239    HA   LYS  28           HA       LYS  28  -6.387  -5.948  -0.815
  240   1HB   LYS  28          2HB       LYS  28  -4.465  -6.978   1.160
  241   2HB   LYS  28          3HB       LYS  28  -4.974  -5.333   1.551
  242   1HG   LYS  28          2HG       LYS  28  -7.163  -5.921   1.924
  243   2HG   LYS  28          3HG       LYS  28  -7.163  -7.204   0.727
  244   1HD   LYS  28          2HD       LYS  28  -6.182  -8.786   2.115
  245   2HD   LYS  28          3HD       LYS  28  -5.496  -7.554   3.200
  246   1HE   LYS  28          2HE       LYS  28  -7.979  -6.912   3.674
  247   2HE   LYS  28          3HE       LYS  28  -8.379  -8.486   2.962
  248   1HZ   LYS  28          1HZ       LYS  28  -6.488  -8.084   5.191
  249   2HZ   LYS  28          2HZ       LYS  28  -8.070  -8.516   5.386
  250   3HZ   LYS  28          3HZ       LYS  28  -7.028  -9.530   4.604
  251    H    VAL  29           H        VAL  29  -6.502  -3.508  -0.403
  252    HA   VAL  29           HA       VAL  29  -4.310  -2.305  -1.883
  253    HB   VAL  29           HB       VAL  29  -6.901  -1.079  -1.088
  254   1HG1  VAL  29          1HG       VAL  29  -5.330   0.304  -2.102
  255   2HG1  VAL  29          2HG       VAL  29  -5.007  -0.921  -3.338
  256   3HG1  VAL  29          3HG       VAL  29  -6.575  -0.031  -3.336
  257   1HG2  VAL  29          1HG       VAL  29  -7.769  -3.129  -1.950
  258   2HG2  VAL  29          2HG       VAL  29  -8.077  -1.859  -3.111
  259   3HG2  VAL  29          3HG       VAL  29  -6.756  -3.007  -3.378
  260    H    TYR  30           H        TYR  30  -3.150  -0.586  -0.896
  261    HA   TYR  30           HA       TYR  30  -3.817  -0.043   1.935
  262   1HB   TYR  30          2HB       TYR  30  -1.409  -1.051   0.436
  263   2HB   TYR  30          3HB       TYR  30  -1.195  -0.101   1.877
  264    HD1  TYR  30           HD1      TYR  30  -2.145  -3.403   0.510
  265    HD2  TYR  30           HD2      TYR  30  -2.066  -0.964   4.055
  266    HE1  TYR  30           HE1      TYR  30  -2.077  -5.447   1.917
  267    HE2  TYR  30           HE2      TYR  30  -2.098  -3.054   5.415
  268    HH   TYR  30           HH       TYR  30  -1.266  -6.111   4.213
  269    H    ASP  31           H        ASP  31  -2.983   1.996   2.681
  270    HA   ASP  31           HA       ASP  31  -2.343   4.015   0.628
  271   1HB   ASP  31          2HB       ASP  31  -4.798   3.917   1.131
  272   2HB   ASP  31          3HB       ASP  31  -4.445   4.275   2.819
  273    H    LEU  32           H        LEU  32  -0.486   4.803   1.343
  274    HA   LEU  32           HA       LEU  32  -0.053   4.862   4.296
  275   1HB   LEU  32          2HB       LEU  32   2.253   4.986   2.448
  276   2HB   LEU  32          3HB       LEU  32   2.101   4.272   4.049
  277    HG   LEU  32           HG       LEU  32   1.202   3.057   1.415
  278   1HD1  LEU  32          1HD       LEU  32   3.569   2.986   1.712
  279   2HD1  LEU  32          2HD       LEU  32   3.420   2.535   3.426
  280   3HD1  LEU  32          3HD       LEU  32   2.986   1.377   2.176
  281   1HD2  LEU  32          1HD       LEU  32   0.749   1.001   2.686
  282   2HD2  LEU  32          2HD       LEU  32   0.981   1.892   4.224
  283   3HD2  LEU  32          3HD       LEU  32  -0.369   2.253   3.151
  284    H    THR  33           H        THR  33  -1.283   6.874   2.175
  285    HA   THR  33           HA       THR  33   0.399   9.073   1.855
  286    HB   THR  33           HB       THR  33  -2.498   8.534   1.863
  287    HG1  THR  33          1HG       THR  33  -2.273  10.295   0.372
  288   1HG2  THR  33          1HG       THR  33  -3.266  10.843   2.038
  289   2HG2  THR  33          2HG       THR  33  -2.740  10.233   3.591
  290   3HG2  THR  33          3HG       THR  33  -1.655  11.314   2.654
  291    H    LYS  34           H        LYS  34  -1.673   8.375   4.735
  292    HA   LYS  34           HA       LYS  34  -0.510  10.730   6.018
  293   1HB   LYS  34          2HB       LYS  34  -2.942   9.654   6.194
  294   2HB   LYS  34          3HB       LYS  34  -2.227   8.743   7.521
  295   1HG   LYS  34          2HG       LYS  34  -1.742  11.725   7.472
  296   2HG   LYS  34          3HG       LYS  34  -3.403  11.200   7.739
  297   1HD   LYS  34          2HD       LYS  34  -2.722   9.820   9.648
  298   2HD   LYS  34          3HD       LYS  34  -1.028  10.285   9.410
  299   1HE   LYS  34          2HE       LYS  34  -1.616  12.658   9.746
  300   2HE   LYS  34          3HE       LYS  34  -3.299  12.193  10.054
  301   1HZ   LYS  34          1HZ       LYS  34  -0.960  11.216  11.612
  302   2HZ   LYS  34          2HZ       LYS  34  -1.961  12.451  12.087
  303   3HZ   LYS  34          3HZ       LYS  34  -2.550  10.923  11.939
  304    H    PHE  35           H        PHE  35   0.684   7.696   5.474
  305    HA   PHE  35           HA       PHE  35   2.102   7.478   8.053
  306   1HB   PHE  35          2HB       PHE  35   0.700   5.601   7.203
  307   2HB   PHE  35          3HB       PHE  35   1.740   5.499   5.813
  308    HD1  PHE  35          1HD       PHE  35   2.476   5.792   9.546
  309    HD2  PHE  35          2HD       PHE  35   3.085   3.669   5.887
  310    HE1  PHE  35          1HE       PHE  35   4.123   4.336  10.665
  311    HE2  PHE  35          2HE       PHE  35   4.627   2.115   7.003
  312    HZ   PHE  35           HZ       PHE  35   5.298   2.510   9.360
  313    H    LEU  36           H        LEU  36   2.438   8.517   4.836
  314    HA   LEU  36           HA       LEU  36   5.091   7.890   4.114
  315   1HB   LEU  36          2HB       LEU  36   3.295  10.353   3.753
  316   2HB   LEU  36          3HB       LEU  36   4.972  10.402   3.218
  317    HG   LEU  36           HG       LEU  36   2.717   8.691   2.135
  318   1HD1  LEU  36          1HD       LEU  36   3.265   9.976   0.079
  319   2HD1  LEU  36          2HD       LEU  36   2.756  11.012   1.420
  320   3HD1  LEU  36          3HD       LEU  36   4.481  10.890   0.987
  321   1HD2  LEU  36          1HD       LEU  36   4.338   7.168   1.795
  322   2HD2  LEU  36          2HD       LEU  36   4.713   8.212   0.401
  323   3HD2  LEU  36          3HD       LEU  36   5.669   8.337   1.871
  324    H    GLU  37           H        GLU  37   4.465  10.998   5.731
  325    HA   GLU  37           HA       GLU  37   7.243  10.829   6.622
  326   1HB   GLU  37          2HB       GLU  37   5.111  12.915   7.206
  327   2HB   GLU  37          3HB       GLU  37   6.859  13.042   7.528
  328   1HG   GLU  37          2HG       GLU  37   7.150  12.519   4.986
  329   2HG   GLU  37          3HG       GLU  37   5.439  12.926   4.840
  330    H    GLU  38           H        GLU  38   5.322   8.741   7.609
  331    HA   GLU  38           HA       GLU  38   5.836   9.064  10.492
  332   1HB   GLU  38          2HB       GLU  38   3.215   8.828   9.158
  333   2HB   GLU  38          3HB       GLU  38   3.481   7.582  10.374
  334   1HG   GLU  38          2HG       GLU  38   4.174   9.555  11.927
  335   2HG   GLU  38          3HG       GLU  38   3.393  10.588  10.725
  336    H    HIS  39           HN       HIS  39   6.622   7.251   7.729
  337    HA   HIS  39           HA       HIS  39   6.405   4.689   9.035
  338   1HB   HIS  39          2HB       HIS  39   5.838   4.727   6.701
  339   2HB   HIS  39          3HB       HIS  39   7.290   5.598   6.304
  340    HD1  HIS  39           HND      HIS  39   8.925   4.271   5.130
  341    HD2  HIS  39           HD       HIS  39   6.644   1.888   7.692
  342    HE1  HIS  39           HE       HIS  39   9.642   1.917   4.694
  343    HA   PRO  40           HA       PRO  40  10.603   5.141  10.483
  344   1HB   PRO  40          2HB       PRO  40  10.916   2.671  11.681
  345   2HB   PRO  40          3HB       PRO  40   9.983   4.020  12.396
  346   1HG   PRO  40          2HG       PRO  40   8.985   1.603  10.951
  347   2HG   PRO  40          3HG       PRO  40   8.254   2.451  12.346
  348   1HD   PRO  40          2HD       PRO  40   7.495   2.710   9.670
  349   2HD   PRO  40          3HD       PRO  40   7.134   3.908  10.952
  350    H    GLY  41           H        GLY  41  11.478   5.331   8.422
  351   1HA   GLY  41          2HA       GLY  41  13.554   3.742   7.765
  352   2HA   GLY  41          3HA       GLY  41  12.229   2.962   6.875
  353    H    GLY  42           H        GLY  42  10.876   4.463   5.487
  354   1HA   GLY  42          2HA       GLY  42  12.110   6.922   4.578
  355   2HA   GLY  42          3HA       GLY  42  12.311   5.611   3.408
  356    H    GLU  43           H        GLU  43  10.621   8.145   3.633
  357    HA   GLU  43           HA       GLU  43   7.927   7.101   3.042
  358   1HB   GLU  43          2HB       GLU  43   7.365   9.417   2.619
  359   2HB   GLU  43          3HB       GLU  43   8.147   9.201   4.178
  360   1HG   GLU  43          2HG       GLU  43   9.846  10.105   1.873
  361   2HG   GLU  43          3HG       GLU  43   8.708  11.239   2.591
  362    H    GLU  44           H        GLU  44  10.785   8.020   1.228
  363    HA   GLU  44           HA       GLU  44   9.312   8.655  -1.190
  364   1HB   GLU  44          2HB       GLU  44  11.335   8.840  -2.323
  365   2HB   GLU  44          3HB       GLU  44  11.655   9.396  -0.685
  366   1HG   GLU  44          2HG       GLU  44  12.447   6.690  -1.851
  367   2HG   GLU  44          3HG       GLU  44  13.520   8.049  -1.567
  368    H    VAL  45           H        VAL  45  10.950   5.707  -0.057
  369    HA   VAL  45           HA       VAL  45  10.521   4.117  -2.294
  370    HB   VAL  45           HB       VAL  45  11.616   3.748   0.083
  371   1HG1  VAL  45          1HG       VAL  45   9.457   3.667   1.335
  372   2HG1  VAL  45          2HG       VAL  45   9.079   2.169   0.448
  373   3HG1  VAL  45          3HG       VAL  45  10.461   2.219   1.532
  374   1HG2  VAL  45          1HG       VAL  45  10.496   1.445  -1.513
  375   2HG2  VAL  45          2HG       VAL  45  11.938   2.414  -1.904
  376   3HG2  VAL  45          3HG       VAL  45  11.905   1.446  -0.417
  377    H    LEU  46           H        LEU  46   8.206   5.483  -0.147
  378    HA   LEU  46           HA       LEU  46   6.130   3.346  -0.680
  379   1HB   LEU  46          2HB       LEU  46   5.774   6.085   0.530
  380   2HB   LEU  46          3HB       LEU  46   4.607   4.750   0.537
  381    HG   LEU  46           HG       LEU  46   7.210   5.100   2.042
  382   1HD1  LEU  46          1HD       LEU  46   5.768   5.521   3.726
  383   2HD1  LEU  46          2HD       LEU  46   4.383   5.015   2.750
  384   3HD1  LEU  46          3HD       LEU  46   5.279   3.793   3.655
  385   1HD2  LEU  46          1HD       LEU  46   7.184   2.762   1.024
  386   2HD2  LEU  46          2HD       LEU  46   7.380   2.908   2.762
  387   3HD2  LEU  46          3HD       LEU  46   5.811   2.409   2.062
  388    H    ARG  47           H        ARG  47   7.196   6.436  -2.021
  389    HA   ARG  47           HA       ARG  47   4.963   6.626  -3.869
  390   1HB   ARG  47          2HB       ARG  47   6.322   8.581  -2.888
  391   2HB   ARG  47          3HB       ARG  47   7.588   8.124  -4.044
  392   1HG   ARG  47          2HG       ARG  47   5.614   8.255  -5.826
  393   2HG   ARG  47          3HG       ARG  47   4.772   9.135  -4.552
  394   1HD   ARG  47          2HD       ARG  47   5.781  10.923  -5.512
  395   2HD   ARG  47          3HD       ARG  47   7.161  10.445  -4.499
  396    HE   ARG  47           HE       ARG  47   7.459   8.969  -6.813
  397   1HH1  ARG  47          2HH       ARG  47   7.219  12.389  -6.041
  398   2HH1  ARG  47          1HH       ARG  47   8.005  12.960  -7.471
  399   1HH2  ARG  47          2HH       ARG  47   8.554   9.678  -8.750
  400   2HH2  ARG  47          1HH       ARG  47   8.803  11.360  -9.044
  401    H    GLU  48           H        GLU  48   8.301   5.344  -3.899
  402    HA   GLU  48           HA       GLU  48   8.561   5.094  -6.754
  403   1HB   GLU  48          2HB       GLU  48   9.953   4.147  -4.304
  404   2HB   GLU  48          3HB       GLU  48  10.128   3.074  -5.672
  405   1HG   GLU  48          2HG       GLU  48  10.545   5.895  -6.446
  406   2HG   GLU  48          3HG       GLU  48  11.614   5.402  -5.138
  407    H    GLN  49           H        GLN  49   6.661   3.337  -4.471
  408    HA   GLN  49           HA       GLN  49   6.067   1.256  -6.539
  409   1HB   GLN  49          2HB       GLN  49   5.920   1.238  -3.520
  410   2HB   GLN  49          3HB       GLN  49   5.433  -0.114  -4.569
  411   1HG   GLN  49          2HG       GLN  49   8.271   1.030  -4.487
  412   2HG   GLN  49          3HG       GLN  49   7.703  -0.344  -3.557
  413   1HE2  GLN  49          1HE       GLN  49   9.859  -0.577  -5.474
  414   2HE2  GLN  49          2HE       GLN  49   9.228  -1.660  -6.713
  415    H    ALA  50           H        ALA  50   4.987   4.064  -5.682
  416    HA   ALA  50           HA       ALA  50   2.406   3.856  -4.666
  417   1HB   ALA  50          1HB       ALA  50   3.605   6.007  -5.219
  418   2HB   ALA  50          2HB       ALA  50   3.149   5.762  -6.915
  419   3HB   ALA  50          3HB       ALA  50   1.897   5.979  -5.663
  420    H    GLY  51           H        GLY  51   0.397   3.439  -5.511
  421   1HA   GLY  51          2HA       GLY  51  -1.062   2.125  -6.678
  422   2HA   GLY  51          3HA       GLY  51  -0.539   3.058  -8.082
  423    H    GLY  52           H        GLY  52   1.750   0.905  -6.351
  424   1HA   GLY  52          2HA       GLY  52   1.702  -1.034  -8.581
  425   2HA   GLY  52          3HA       GLY  52   3.160  -0.136  -8.102
  426    H    ASP  53           H        ASP  53   3.315  -2.797  -8.011
  427    HA   ASP  53           HA       ASP  53   2.462  -3.987  -5.593
  428   1HB   ASP  53          2HB       ASP  53   4.234  -5.753  -6.701
  429   2HB   ASP  53          3HB       ASP  53   2.514  -5.615  -7.049
  430    H    ALA  54           H        ALA  54   3.324  -2.915  -3.849
  431    HA   ALA  54           HA       ALA  54   6.242  -2.496  -3.757
  432   1HB   ALA  54          1HB       ALA  54   4.342  -2.035  -1.433
  433   2HB   ALA  54          2HB       ALA  54   5.889  -1.245  -1.781
  434   3HB   ALA  54          3HB       ALA  54   4.468  -0.865  -2.746
  435    H    THR  55           H        THR  55   4.172  -5.161  -3.202
  436    HA   THR  55           HA       THR  55   4.931  -6.224  -0.804
  437    HB   THR  55           HB       THR  55   4.308  -7.544  -3.502
  438    HG1  THR  55          1HG       THR  55   2.611  -6.875  -1.360
  439   1HG2  THR  55          1HG       THR  55   5.058  -9.152  -1.725
  440   2HG2  THR  55          2HG       THR  55   3.760  -8.511  -0.691
  441   3HG2  THR  55          3HG       THR  55   3.363  -9.352  -2.219
  442    H    GLU  56           H        GLU  56   6.656  -6.453  -3.964
  443    HA   GLU  56           HA       GLU  56   8.533  -8.447  -3.158
  444   1HB   GLU  56          2HB       GLU  56   8.453  -6.219  -5.180
  445   2HB   GLU  56          3HB       GLU  56  10.047  -6.789  -4.708
  446   1HG   GLU  56          2HG       GLU  56   8.428  -9.130  -5.171
  447   2HG   GLU  56          3HG       GLU  56   8.157  -8.023  -6.512
  448    H    ASN  57           H        ASN  57   8.511  -4.880  -2.712
  449    HA   ASN  57           HA       ASN  57  11.058  -4.879  -1.356
  450   1HB   ASN  57          2HB       ASN  57   9.379  -2.897  -2.318
  451   2HB   ASN  57          3HB       ASN  57   9.075  -2.801  -0.586
  452   1HD2  ASN  57          1HD       ASN  57  11.217  -1.915  -3.100
  453   2HD2  ASN  57          2HD       ASN  57  12.533  -1.371  -2.069
  454    H    PHE  58           H        PHE  58   7.682  -4.798  -0.216
  455    HA   PHE  58           HA       PHE  58   8.170  -4.800   2.585
  456   1HB   PHE  58          2HB       PHE  58   5.982  -4.703   1.400
  457   2HB   PHE  58          3HB       PHE  58   6.033  -6.454   1.226
  458    HD1  PHE  58          1HD       PHE  58   5.012  -3.720   3.316
  459    HD2  PHE  58          2HD       PHE  58   6.221  -7.861   3.423
  460    HE1  PHE  58          1HE       PHE  58   3.859  -4.002   5.495
  461    HE2  PHE  58          2HE       PHE  58   5.139  -8.121   5.602
  462    HZ   PHE  58           HZ       PHE  58   3.915  -6.186   6.648
  463    H    GLU  59           H        GLU  59   8.334  -7.697   0.459
  464    HA   GLU  59           HA       GLU  59   8.958  -9.450   2.745
  465   1HB   GLU  59          2HB       GLU  59   8.335  -9.708  -0.164
  466   2HB   GLU  59          3HB       GLU  59   9.457 -10.908   0.454
  467   1HG   GLU  59          2HG       GLU  59   6.787 -10.276   1.783
  468   2HG   GLU  59          3HG       GLU  59   6.982 -11.518   0.543
  469    H    ASP  60           H        ASP  60  10.696  -7.707   0.196
  470    HA   ASP  60           HA       ASP  60  13.165  -9.138   0.283
  471   1HB   ASP  60          2HB       ASP  60  12.435  -7.427  -1.474
  472   2HB   ASP  60          3HB       ASP  60  12.758  -6.161  -0.289
  473    H    VAL  61           H        VAL  61  11.902  -6.220   1.933
  474    HA   VAL  61           HA       VAL  61  14.261  -5.988   3.312
  475    HB   VAL  61           HB       VAL  61  12.979  -3.986   3.053
  476   1HG1  VAL  61          1HG       VAL  61  11.003  -3.646   4.674
  477   2HG1  VAL  61          2HG       VAL  61  10.708  -4.525   3.176
  478   3HG1  VAL  61          3HG       VAL  61  10.884  -5.413   4.706
  479   1HG2  VAL  61          1HG       VAL  61  13.065  -3.053   5.331
  480   2HG2  VAL  61          2HG       VAL  61  13.207  -4.674   6.016
  481   3HG2  VAL  61          3HG       VAL  61  14.500  -4.032   4.981
  482    H    GLY  62           H        GLY  62  11.176  -7.596   3.998
  483   1HA   GLY  62          2HA       GLY  62  10.958  -9.555   5.280
  484   2HA   GLY  62          3HA       GLY  62  12.604  -9.337   5.916
  485    H    HIS  63           HN       HIS  63   9.509  -7.552   5.867
  486    HA   HIS  63           HA       HIS  63  10.087  -5.873   7.963
  487   1HB   HIS  63          2HB       HIS  63   7.591  -6.787   6.549
  488   2HB   HIS  63          3HB       HIS  63   7.330  -5.909   8.024
  489    HD1  HIS  63           HND      HIS  63   8.611  -5.362   4.542
  490    HD2  HIS  63           HD       HIS  63   7.927  -3.279   8.102
  491    HE1  HIS  63           HE       HIS  63   8.652  -2.929   3.924
  492    H    SER  64           H        SER  64   9.111  -5.613  10.151
  493    HA   SER  64           HA       SER  64   9.139  -8.041  11.709
  494   1HB   SER  64          2HB       SER  64   8.647  -6.384  13.550
  495   2HB   SER  64          3HB       SER  64  10.099  -6.007  12.599
  496    HG   SER  64           HG       SER  64   8.829  -4.167  12.856
  497    H    THR  65           H        THR  65   7.290  -8.482  13.318
  498    HA   THR  65           HA       THR  65   4.895  -8.828  11.880
  499    HB   THR  65           HB       THR  65   5.604  -9.112  14.830
  500    HG1  THR  65          1HG       THR  65   5.691 -10.942  12.660
  501   1HG2  THR  65          1HG       THR  65   3.814 -10.952  14.633
  502   2HG2  THR  65          2HG       THR  65   3.252  -9.268  14.702
  503   3HG2  THR  65          3HG       THR  65   3.293 -10.119  13.142
  504    H    ASP  66           H        ASP  66   5.740  -6.493  14.556
  505    HA   ASP  66           HA       ASP  66   3.268  -5.241  14.832
  506   1HB   ASP  66          2HB       ASP  66   6.126  -4.183  14.849
  507   2HB   ASP  66          3HB       ASP  66   4.748  -3.120  15.140
  508    H    ALA  67           H        ALA  67   5.693  -4.996  12.287
  509    HA   ALA  67           HA       ALA  67   4.525  -2.682  11.037
  510   1HB   ALA  67          1HB       ALA  67   6.942  -3.479  11.091
  511   2HB   ALA  67          2HB       ALA  67   6.531  -4.700   9.908
  512   3HB   ALA  67          3HB       ALA  67   6.403  -2.955   9.561
  513    H    ARG  68           H        ARG  68   4.172  -6.265  10.684
  514    HA   ARG  68           HA       ARG  68   2.507  -6.076   8.406
  515   1HB   ARG  68          2HB       ARG  68   3.248  -8.154  10.233
  516   2HB   ARG  68          3HB       ARG  68   1.501  -8.112  10.288
  517   1HG   ARG  68          2HG       ARG  68   1.642  -9.502   8.536
  518   2HG   ARG  68          3HG       ARG  68   1.821  -8.035   7.578
  519   1HD   ARG  68          2HD       ARG  68   4.222  -8.259   7.535
  520   2HD   ARG  68          3HD       ARG  68   4.229  -9.465   8.802
  521    HE   ARG  68           HE       ARG  68   3.819  -9.932   5.987
  522   1HH1  ARG  68          2HH       ARG  68   3.035 -11.119   9.206
  523   2HH1  ARG  68          1HH       ARG  68   2.838 -12.773   8.749
  524   1HH2  ARG  68          2HH       ARG  68   3.640 -12.170   5.332
  525   2HH2  ARG  68          1HH       ARG  68   3.155 -13.369   6.472
  526    H    GLU  69           H        GLU  69   1.909  -5.372  11.900
  527    HA   GLU  69           HA       GLU  69  -1.008  -5.526  11.821
  528   1HB   GLU  69          2HB       GLU  69   1.007  -4.575  13.896
  529   2HB   GLU  69          3HB       GLU  69  -0.715  -4.401  14.127
  530   1HG   GLU  69          2HG       GLU  69  -0.061  -7.128  13.275
  531   2HG   GLU  69          3HG       GLU  69   0.867  -6.659  14.705
  532    H    LEU  70           H        LEU  70   1.323  -2.653  12.086
  533    HA   LEU  70           HA       LEU  70  -0.652  -0.666  11.943
  534   1HB   LEU  70          2HB       LEU  70   2.151  -1.061  10.921
  535   2HB   LEU  70          3HB       LEU  70   1.312   0.427  10.609
  536    HG   LEU  70           HG       LEU  70   1.233  -0.520  13.364
  537   1HD1  LEU  70          1HD       LEU  70   3.862  -0.308  11.983
  538   2HD1  LEU  70          2HD       LEU  70   3.786   0.564  13.517
  539   3HD1  LEU  70          3HD       LEU  70   3.413  -1.157  13.473
  540   1HD2  LEU  70          1HD       LEU  70   1.067   1.965  12.006
  541   2HD2  LEU  70          2HD       LEU  70   0.664   1.549  13.676
  542   3HD2  LEU  70          3HD       LEU  70   2.302   2.096  13.267
  543    H    SER  71           H        SER  71   0.699  -2.930   9.464
  544    HA   SER  71           HA       SER  71  -0.337  -1.526   7.379
  545   1HB   SER  71          2HB       SER  71  -0.687  -4.471   7.112
  546   2HB   SER  71          3HB       SER  71  -0.120  -3.260   5.944
  547    HG   SER  71           HG       SER  71   1.372  -4.135   8.155
  548    H    LYS  72           H        LYS  72  -2.170  -3.459   9.619
  549    HA   LYS  72           HA       LYS  72  -4.592  -3.665   8.212
  550   1HB   LYS  72          2HB       LYS  72  -3.733  -4.612  10.554
  551   2HB   LYS  72          3HB       LYS  72  -4.500  -3.159  11.196
  552   1HG   LYS  72          2HG       LYS  72  -6.405  -4.396  11.221
  553   2HG   LYS  72          3HG       LYS  72  -6.466  -4.138   9.469
  554   1HD   LYS  72          2HD       LYS  72  -5.065  -6.237   9.188
  555   2HD   LYS  72          3HD       LYS  72  -5.163  -6.457  10.952
  556   1HE   LYS  72          2HE       LYS  72  -7.782  -6.111  10.448
  557   2HE   LYS  72          3HE       LYS  72  -7.312  -6.717   8.853
  558   1HZ   LYS  72          1HZ       LYS  72  -7.990  -8.470  10.409
  559   2HZ   LYS  72          2HZ       LYS  72  -6.421  -8.679   9.938
  560   3HZ   LYS  72          3HZ       LYS  72  -6.763  -8.069  11.425
  561    H    THR  73           H        THR  73  -3.256  -0.831   9.992
  562    HA   THR  73           HA       THR  73  -5.838   0.546   9.822
  563    HB   THR  73           HB       THR  73  -4.766   2.263  11.113
  564    HG1  THR  73          1HG       THR  73  -2.646   2.084  10.034
  565   1HG2  THR  73          1HG       THR  73  -5.090  -0.351  12.013
  566   2HG2  THR  73          2HG       THR  73  -3.405  -0.013  12.446
  567   3HG2  THR  73          3HG       THR  73  -4.703   1.042  13.039
  568    H    PHE  74           H        PHE  74  -3.401  -0.019   7.660
  569    HA   PHE  74           HA       PHE  74  -3.650   2.550   6.146
  570   1HB   PHE  74          2HB       PHE  74  -1.784   0.179   5.879
  571   2HB   PHE  74          3HB       PHE  74  -1.672   1.698   4.991
  572    HD1  PHE  74          1HD       PHE  74  -2.389   3.161   7.904
  573    HD2  PHE  74          2HD       PHE  74   0.555   0.464   6.309
  574    HE1  PHE  74          1HE       PHE  74  -0.779   3.844   9.680
  575    HE2  PHE  74          2HE       PHE  74   2.196   1.330   7.867
  576    HZ   PHE  74           HZ       PHE  74   1.505   2.879   9.665
  577    H    ILE  75           H        ILE  75  -4.786  -0.780   6.164
  578    HA   ILE  75           HA       ILE  75  -5.222  -0.964   3.347
  579    HB   ILE  75           HB       ILE  75  -5.700  -2.495   5.701
  580   1HG1  ILE  75          2HG       ILE  75  -6.369  -3.344   2.888
  581   2HG1  ILE  75          3HG       ILE  75  -4.701  -3.025   3.357
  582   1HG2  ILE  75          1HG       ILE  75  -7.913  -3.496   5.245
  583   2HG2  ILE  75          2HG       ILE  75  -8.048  -1.805   5.737
  584   3HG2  ILE  75          3HG       ILE  75  -8.238  -2.258   4.024
  585   1HD1  ILE  75          1HD       ILE  75  -4.527  -5.055   4.287
  586   2HD1  ILE  75          2HD       ILE  75  -5.828  -4.686   5.423
  587   3HD1  ILE  75          3HD       ILE  75  -6.206  -5.403   3.857
  588    H    ILE  76           H        ILE  76  -6.644  -0.038   2.064
  589    HA   ILE  76           HA       ILE  76  -8.852   1.568   3.303
  590    HB   ILE  76           HB       ILE  76  -8.708   3.034   1.309
  591   1HG1  ILE  76          2HG       ILE  76  -6.494   3.076   0.093
  592   2HG1  ILE  76          3HG       ILE  76  -6.141   1.457   0.691
  593   1HG2  ILE  76          1HG       ILE  76  -6.129   2.821   2.847
  594   2HG2  ILE  76          2HG       ILE  76  -6.829   4.268   2.063
  595   3HG2  ILE  76          3HG       ILE  76  -7.624   3.548   3.480
  596   1HD1  ILE  76          1HD       ILE  76  -8.634   2.256  -0.832
  597   2HD1  ILE  76          2HD       ILE  76  -7.156   1.631  -1.607
  598   3HD1  ILE  76          3HD       ILE  76  -8.079   0.601  -0.517
  599    H    GLY  77           H        GLY  77  -8.266  -1.309   1.763
  600   1HA   GLY  77          2HA       GLY  77 -10.881  -1.892   1.086
  601   2HA   GLY  77          3HA       GLY  77 -10.164  -1.197  -0.368
  602    H    GLU  78           H        GLU  78 -10.658  -3.568  -1.087
  603    HA   GLU  78           HA       GLU  78  -8.208  -5.123  -0.680
  604   1HB   GLU  78          2HB       GLU  78  -9.825  -6.130   0.752
  605   2HB   GLU  78          3HB       GLU  78 -11.052  -6.166  -0.540
  606   1HG   GLU  78          2HG       GLU  78 -10.092  -7.984  -1.584
  607   2HG   GLU  78          3HG       GLU  78  -8.484  -7.595  -0.995
  608    H    LEU  79           H        LEU  79  -7.612  -6.283  -2.681
  609    HA   LEU  79           HA       LEU  79  -8.212  -4.954  -5.080
  610   1HB   LEU  79          2HB       LEU  79  -6.791  -7.424  -4.164
  611   2HB   LEU  79          3HB       LEU  79  -7.476  -7.543  -5.781
  612    HG   LEU  79           HG       LEU  79  -6.338  -5.611  -6.535
  613   1HD1  LEU  79          1HD       LEU  79  -6.071  -3.999  -5.029
  614   2HD1  LEU  79          2HD       LEU  79  -5.695  -5.120  -3.669
  615   3HD1  LEU  79          3HD       LEU  79  -4.471  -4.692  -4.856
  616   1HD2  LEU  79          1HD       LEU  79  -4.220  -7.132  -4.995
  617   2HD2  LEU  79          2HD       LEU  79  -5.063  -7.829  -6.409
  618   3HD2  LEU  79          3HD       LEU  79  -4.074  -6.365  -6.569
  619    H    HIS  80           H        HIS  80  -9.856  -5.138  -6.482
  620    HA   HIS  80           HA       HIS  80 -12.284  -6.120  -5.828
  621   1HB   HIS  80          2HB       HIS  80 -10.954  -5.183  -8.252
  622   2HB   HIS  80          3HB       HIS  80 -12.020  -6.514  -8.638
  623    HD1  HIS  80           HD1      HIS  80 -14.019  -5.337  -9.665
  624    HD2  HIS  80           HD2      HIS  80 -12.684  -3.703  -6.035
  625    HE1  HIS  80           HE1      HIS  80 -15.731  -3.478  -8.988
  626    HA   PRO  81           HA       PRO  81 -12.359 -10.350  -5.964
  627   1HB   PRO  81          2HB       PRO  81 -14.944 -10.997  -6.777
  628   2HB   PRO  81          3HB       PRO  81 -14.523 -10.306  -5.182
  629   1HG   PRO  81          2HG       PRO  81 -15.646  -8.915  -7.604
  630   2HG   PRO  81          3HG       PRO  81 -15.981  -8.610  -5.872
  631   1HD   PRO  81          2HD       PRO  81 -14.250  -7.124  -7.468
  632   2HD   PRO  81          3HD       PRO  81 -14.150  -7.205  -5.681
  633    H    ASP  82           H        ASP  82 -13.523  -8.956  -9.069
  634    HA   ASP  82           HA       ASP  82 -13.280 -11.396 -10.568
  635   1HB   ASP  82          2HB       ASP  82 -13.534  -9.982 -12.497
  636   2HB   ASP  82          3HB       ASP  82 -14.654  -9.442 -11.246
  637    H    ASP  83           H        ASP  83 -11.095  -8.885  -9.473
  638    HA   ASP  83           HA       ASP  83  -8.809 -10.176 -10.841
  639   1HB   ASP  83          2HB       ASP  83  -9.354  -7.408  -9.753
  640   2HB   ASP  83          3HB       ASP  83  -7.697  -7.960  -9.994
  641    H    ARG  84           H        ARG  84 -10.018 -11.540  -8.645
  642    HA   ARG  84           HA       ARG  84  -7.785 -11.321  -6.640
  643   1HB   ARG  84          2HB       ARG  84 -10.046 -10.603  -5.855
  644   2HB   ARG  84          3HB       ARG  84 -10.634 -12.245  -6.101
  645   1HG   ARG  84          2HG       ARG  84  -8.127 -11.962  -4.483
  646   2HG   ARG  84          3HG       ARG  84  -9.560 -11.237  -3.770
  647   1HD   ARG  84          2HD       ARG  84 -10.430 -13.205  -3.173
  648   2HD   ARG  84          3HD       ARG  84 -10.204 -13.897  -4.789
  649    HE   ARG  84           HE       ARG  84  -7.707 -13.735  -3.424
  650   1HH1  ARG  84          2HH       ARG  84 -10.687 -15.610  -3.567
  651   2HH1  ARG  84          1HH       ARG  84  -9.978 -17.105  -3.083
  652   1HH2  ARG  84          2HH       ARG  84  -6.731 -15.701  -2.665
  653   2HH2  ARG  84          1HH       ARG  84  -7.670 -17.142  -2.511
  654    H    SER  85           H        SER  85  -9.662 -13.555  -8.622
  655    HA   SER  85           HA       SER  85  -7.659 -15.663  -7.976
  656   1HB   SER  85          2HB       SER  85 -10.654 -15.803  -7.664
  657   2HB   SER  85          3HB       SER  85  -9.766 -17.254  -8.173
  658    HG   SER  85           HG       SER  85  -8.686 -15.781  -6.065
  659    H    LYS  86           H        LYS  86  -7.200 -14.122  -9.968
  660    HA   LYS  86           HA       LYS  86  -7.698 -15.937 -12.231
  661   1HB   LYS  86          2HB       LYS  86  -9.416 -13.834 -11.957
  662   2HB   LYS  86          3HB       LYS  86  -8.180 -13.050 -12.932
  663   1HG   LYS  86          2HG       LYS  86  -9.319 -15.783 -13.667
  664   2HG   LYS  86          3HG       LYS  86 -10.186 -14.298 -14.067
  665   1HD   LYS  86          2HD       LYS  86  -8.417 -13.496 -15.471
  666   2HD   LYS  86          3HD       LYS  86  -7.297 -14.734 -14.899
  667   1HE   LYS  86          2HE       LYS  86  -8.107 -15.330 -17.099
  668   2HE   LYS  86          3HE       LYS  86  -8.645 -16.513 -15.896
  669   1HZ   LYS  86          1HZ       LYS  86 -10.369 -15.796 -17.504
  670   2HZ   LYS  86          2HZ       LYS  86 -10.800 -15.569 -15.933
  671   3HZ   LYS  86          3HZ       LYS  86 -10.330 -14.287 -16.848
  672    H    LEU  87           H        LEU  87  -6.056 -12.961 -11.138
  673    HA   LEU  87           HA       LEU  87  -4.105 -12.767 -13.127
  674   1HB   LEU  87          2HB       LEU  87  -3.863 -12.048 -10.169
  675   2HB   LEU  87          3HB       LEU  87  -2.766 -11.544 -11.449
  676    HG   LEU  87           HG       LEU  87  -5.234 -10.834 -12.500
  677   1HD1  LEU  87          1HD       LEU  87  -6.521  -9.753 -10.836
  678   2HD1  LEU  87          2HD       LEU  87  -6.205 -11.355 -10.152
  679   3HD1  LEU  87          3HD       LEU  87  -5.287  -9.962  -9.583
  680   1HD2  LEU  87          1HD       LEU  87  -3.076  -9.486 -12.407
  681   2HD2  LEU  87          2HD       LEU  87  -4.579  -8.572 -12.189
  682   3HD2  LEU  87          3HD       LEU  87  -3.568  -8.960 -10.780
  683    H    SER  88           H        SER  88  -3.314 -14.819 -13.727
  684    HA   SER  88           HA       SER  88  -1.014 -15.722 -12.167
  685   1HB   SER  88          2HB       SER  88  -3.257 -16.747 -11.215
  686   2HB   SER  88          3HB       SER  88  -3.148 -17.814 -12.624
  687    HG   SER  88           HG       SER  88  -2.059 -18.582 -10.704
  688    H    LYS  89           H        LYS  89  -1.104 -14.602 -14.757
  689    HA   LYS  89           HA       LYS  89  -0.062 -16.796 -16.340
  690   1HB   LYS  89          2HB       LYS  89  -1.614 -16.463 -18.248
  691   2HB   LYS  89          3HB       LYS  89  -2.362 -17.168 -16.830
  692   1HG   LYS  89          2HG       LYS  89  -2.795 -14.419 -16.449
  693   2HG   LYS  89          3HG       LYS  89  -2.964 -14.603 -18.184
  694   1HD   LYS  89          2HD       LYS  89  -4.425 -16.447 -16.245
  695   2HD   LYS  89          3HD       LYS  89  -5.015 -14.833 -16.611
  696   1HE   LYS  89          2HE       LYS  89  -6.166 -16.270 -18.086
  697   2HE   LYS  89          3HE       LYS  89  -4.991 -15.368 -19.055
  698   1HZ   LYS  89          1HZ       LYS  89  -4.598 -18.131 -18.082
  699   2HZ   LYS  89          2HZ       LYS  89  -5.086 -17.724 -19.602
  700   3HZ   LYS  89          3HZ       LYS  89  -3.593 -17.291 -19.092
  701    HA   PRO  90           HA       PRO  90   2.037 -12.920 -17.373
  702   1HB   PRO  90          2HB       PRO  90   4.302 -13.985 -18.514
  703   2HB   PRO  90          3HB       PRO  90   4.011 -13.924 -16.756
  704   1HG   PRO  90          2HG       PRO  90   3.727 -16.273 -18.615
  705   2HG   PRO  90          3HG       PRO  90   4.300 -16.228 -16.920
  706   1HD   PRO  90          2HD       PRO  90   1.714 -16.935 -17.767
  707   2HD   PRO  90          3HD       PRO  90   2.154 -16.435 -16.106
  708    H    MET  91           H        MET  91   0.114 -12.655 -18.862
  709    HA   MET  91           HA       MET  91   1.004 -12.401 -21.599
  710   1HB   MET  91          2HB       MET  91  -1.002 -13.689 -22.505
  711   2HB   MET  91          3HB       MET  91   0.260 -14.708 -21.804
  712   1HG   MET  91          2HG       MET  91  -0.931 -15.055 -19.807
  713   2HG   MET  91          3HG       MET  91  -2.059 -13.740 -20.117
  714   1HE   MET  91          1HE       MET  91  -3.547 -14.227 -22.897
  715   2HE   MET  91          2HE       MET  91  -4.874 -15.089 -22.097
  716   3HE   MET  91          3HE       MET  91  -4.069 -13.739 -21.268
  717    H    GLU  92           H        GLU  92  -1.043 -11.443 -22.882
  718    HA   GLU  92           HA       GLU  92  -2.548  -9.698 -21.004
  719   1HB   GLU  92          2HB       GLU  92  -0.806  -8.866 -22.975
  720   2HB   GLU  92          3HB       GLU  92  -2.344  -8.884 -23.856
  721   1HG   GLU  92          2HG       GLU  92  -3.350  -7.578 -21.912
  722   2HG   GLU  92          3HG       GLU  92  -1.730  -7.476 -21.217
  723    H    THR  93           H        THR  93  -4.734  -8.962 -22.327
  724    HA   THR  93           HA       THR  93  -5.793 -11.340 -23.713
  725    HB   THR  93           HB       THR  93  -6.562 -11.437 -21.351
  726    HG1  THR  93          1HG       THR  93  -7.927 -12.263 -22.824
  727   1HG2  THR  93          1HG       THR  93  -8.441  -9.653 -20.833
  728   2HG2  THR  93          2HG       THR  93  -6.746  -9.323 -20.430
  729   3HG2  THR  93          3HG       THR  93  -7.476  -8.604 -21.875
  730    H    LEU  94           H        LEU  94  -7.717 -10.779 -24.939
  731    HA   LEU  94           HA       LEU  94  -8.644  -9.709 -26.664
  732   1HB   LEU  94          2HB       LEU  94  -9.339  -8.498 -24.340
  733   2HB   LEU  94          3HB       LEU  94  -8.685  -7.107 -25.175
  734    HG   LEU  94           HG       LEU  94 -10.621  -8.901 -26.671
  735   1HD1  LEU  94          1HD       LEU  94 -12.559  -7.882 -25.615
  736   2HD1  LEU  94          2HD       LEU  94 -11.590  -8.777 -24.441
  737   3HD1  LEU  94          3HD       LEU  94 -11.501  -6.998 -24.482
  738   1HD2  LEU  94          1HD       LEU  94 -10.293  -7.139 -28.070
  739   2HD2  LEU  94          2HD       LEU  94 -11.498  -6.331 -27.044
  740   3HD2  LEU  94          3HD       LEU  94  -9.765  -6.049 -26.790
  741    HHA  HEM  95          MHG       HEM  95  11.839  -0.716   8.824
  742    HHB  HEM  95          MHD       HEM  95   5.533  -0.509   9.859
  743    HHC  HEM  95          MHA       HEM  95   4.536  -1.134   3.540
  744    HHD  HEM  95          MHB       HEM  95  10.812  -0.207   2.469
  745   1HMA  HEM  95          1HM       HEM  95   8.078  -1.386  12.528
  746   2HMA  HEM  95          2HM       HEM  95   7.281   0.154  12.150
  747   3HMA  HEM  95          3HM       HEM  95   6.524  -1.374  11.711
  748   1HAA  HEM  95          1HP       HEM  95  10.213  -1.040  12.232
  749   2HAA  HEM  95          2HP       HEM  95  11.416  -0.446  11.101
  750   1HBA  HEM  95          3HP       HEM  95  11.634  -2.699  10.102
  751   2HBA  HEM  95          4HP       HEM  95  10.361  -3.307  11.156
  752   1HMB  HEM  95          1HM       HEM  95   3.210   0.159   9.220
  753   2HMB  HEM  95          2HM       HEM  95   2.166  -0.986   8.297
  754   3HMB  HEM  95          3HM       HEM  95   3.498  -1.546   9.336
  755    HAB  HEM  95          AHT       HEM  95   2.001  -1.982   5.837
  756   1HBB  HEM  95          CHV       HEM  95   2.862   0.443   4.228
  757   2HBB  HEM  95          THV       HEM  95   1.511  -0.785   3.810
  758   1HMC  HEM  95          1HM       HEM  95   6.285  -1.780   0.307
  759   2HMC  HEM  95          2HM       HEM  95   5.075  -1.873   1.556
  760   3HMC  HEM  95          3HM       HEM  95   5.291  -0.333   0.682
  761    HAC  HEM  95          AHT       HEM  95   9.864  -0.583   0.474
  762   1HBC  HEM  95          THV       HEM  95   8.708   0.064  -1.506
  763   2HBC  HEM  95          CHV       HEM  95   7.163   0.390  -0.533
  764   1HMD  HEM  95          1HM       HEM  95  12.760   0.901   3.064
  765   2HMD  HEM  95          2HM       HEM  95  14.118   0.551   4.115
  766   3HMD  HEM  95          3HM       HEM  95  13.413  -0.749   3.117
  767   1HAD  HEM  95          1HP       HEM  95  13.703  -0.681   7.842
  768   2HAD  HEM  95          2HP       HEM  95  13.917   0.882   7.079
  769   1HBD  HEM  95          3HP       HEM  95  15.602   0.096   5.766
  770   2HBD  HEM  95          4HP       HEM  95  14.730  -1.391   5.355
  Start of MODEL   30
    1   1H    ASP   1           H1       ASP   1 -20.665  -5.192   9.270
    2   2H    ASP   1           H2       ASP   1 -19.581  -4.128   8.639
    3   3H    ASP   1           H3       ASP   1 -21.035  -3.580   9.233
    4    HA   ASP   1           HA       ASP   1 -22.223  -4.717   7.534
    5   1HB   ASP   1          2HB       ASP   1 -19.999  -2.902   6.546
    6   2HB   ASP   1          3HB       ASP   1 -21.407  -3.394   5.576
    7    H    LYS   2           H        LYS   2 -22.157  -6.149   5.673
    8    HA   LYS   2           HA       LYS   2 -19.794  -7.958   5.704
    9   1HB   LYS   2          2HB       LYS   2 -22.671  -8.208   4.749
   10   2HB   LYS   2          3HB       LYS   2 -21.434  -9.399   4.320
   11   1HG   LYS   2          2HG       LYS   2 -21.119 -10.130   6.502
   12   2HG   LYS   2          3HG       LYS   2 -21.784  -8.659   7.230
   13   1HD   LYS   2          2HD       LYS   2 -24.027  -9.220   6.578
   14   2HD   LYS   2          3HD       LYS   2 -23.488 -10.611   5.624
   15   1HE   LYS   2          2HE       LYS   2 -22.989 -10.338   8.622
   16   2HE   LYS   2          3HE       LYS   2 -24.446 -11.093   7.961
   17   1HZ   LYS   2          1HZ       LYS   2 -22.757 -12.721   8.463
   18   2HZ   LYS   2          2HZ       LYS   2 -23.065 -12.702   6.849
   19   3HZ   LYS   2          3HZ       LYS   2 -21.691 -12.009   7.433
   20    H    ASP   3           H        ASP   3 -19.007  -5.638   4.652
   21    HA   ASP   3           HA       ASP   3 -18.645  -6.238   1.838
   22   1HB   ASP   3          2HB       ASP   3 -20.800  -4.765   2.134
   23   2HB   ASP   3          3HB       ASP   3 -19.677  -3.468   2.549
   24    H    VAL   4           H        VAL   4 -16.910  -4.515   1.014
   25    HA   VAL   4           HA       VAL   4 -15.297  -3.442   3.225
   26    HB   VAL   4           HB       VAL   4 -14.012  -4.979   0.952
   27   1HG1  VAL   4          1HG       VAL   4 -12.107  -4.976   2.438
   28   2HG1  VAL   4          2HG       VAL   4 -12.752  -3.322   2.505
   29   3HG1  VAL   4          3HG       VAL   4 -13.104  -4.445   3.812
   30   1HG2  VAL   4          1HG       VAL   4 -15.363  -6.691   2.029
   31   2HG2  VAL   4          2HG       VAL   4 -13.685  -6.876   2.538
   32   3HG2  VAL   4          3HG       VAL   4 -14.861  -6.128   3.643
   33    H    LYS   5           H        LYS   5 -13.469  -3.082   0.661
   34    HA   LYS   5           HA       LYS   5 -14.964  -0.922  -0.688
   35   1HB   LYS   5          2HB       LYS   5 -13.030  -0.389   1.352
   36   2HB   LYS   5          3HB       LYS   5 -12.210  -0.098  -0.163
   37   1HG   LYS   5          2HG       LYS   5 -12.974   1.941   0.144
   38   2HG   LYS   5          3HG       LYS   5 -14.354   1.338  -0.764
   39   1HD   LYS   5          2HD       LYS   5 -14.212   1.375   2.293
   40   2HD   LYS   5          3HD       LYS   5 -14.656   2.796   1.344
   41   1HE   LYS   5          2HE       LYS   5 -16.439   1.292   0.222
   42   2HE   LYS   5          3HE       LYS   5 -16.148   0.179   1.568
   43   1HZ   LYS   5          1HZ       LYS   5 -17.947   1.669   2.046
   44   2HZ   LYS   5          2HZ       LYS   5 -16.703   1.956   3.082
   45   3HZ   LYS   5          3HZ       LYS   5 -16.985   2.989   1.829
   46    H    TYR   6           H        TYR   6 -15.049  -2.595  -2.327
   47    HA   TYR   6           HA       TYR   6 -12.647  -3.899  -3.314
   48   1HB   TYR   6          2HB       TYR   6 -15.549  -3.874  -4.264
   49   2HB   TYR   6          3HB       TYR   6 -14.269  -4.847  -4.966
   50    HD1  TYR   6           HD1      TYR   6 -16.708  -4.595  -2.243
   51    HD2  TYR   6           HD2      TYR   6 -13.191  -6.701  -3.635
   52    HE1  TYR   6           HE1      TYR   6 -17.221  -6.446  -0.729
   53    HE2  TYR   6           HE2      TYR   6 -13.712  -8.568  -2.094
   54    HH   TYR   6           HH       TYR   6 -16.625  -8.564  -0.005
   55    H    TYR   7           H        TYR   7 -11.343  -2.148  -4.094
   56    HA   TYR   7           HA       TYR   7 -12.497  -0.273  -5.986
   57   1HB   TYR   7          2HB       TYR   7  -9.886  -0.668  -4.467
   58   2HB   TYR   7          3HB       TYR   7  -9.948   0.407  -5.787
   59    HD1  TYR   7           HD1      TYR   7 -10.168   0.389  -2.345
   60    HD2  TYR   7           HD2      TYR   7 -12.318   1.922  -5.751
   61    HE1  TYR   7           HE1      TYR   7 -11.122   2.209  -0.952
   62    HE2  TYR   7           HE2      TYR   7 -13.282   3.710  -4.373
   63    HH   TYR   7           HH       TYR   7 -13.237   4.748  -2.274
   64    H    THR   8           H        THR   8 -11.479   0.072  -8.098
   65    HA   THR   8           HA       THR   8 -10.757  -2.505  -9.345
   66    HB   THR   8           HB       THR   8 -11.071  -1.036 -11.434
   67    HG1  THR   8          1HG       THR   8 -12.338   0.868 -10.943
   68   1HG2  THR   8          1HG       THR   8 -13.542  -1.134 -11.276
   69   2HG2  THR   8          2HG       THR   8 -12.803  -2.607 -10.621
   70   3HG2  THR   8          3HG       THR   8 -13.430  -1.368  -9.517
   71    H    LEU   9           H        LEU   9  -8.873  -2.536 -10.805
   72    HA   LEU   9           HA       LEU   9  -6.566  -1.539  -9.629
   73   1HB   LEU   9          2HB       LEU   9  -6.872  -2.275 -12.556
   74   2HB   LEU   9          3HB       LEU   9  -5.395  -2.232 -11.600
   75    HG   LEU   9           HG       LEU   9  -5.898  -4.481 -11.719
   76   1HD1  LEU   9          1HD       LEU   9  -5.384  -4.045  -9.425
   77   2HD1  LEU   9          2HD       LEU   9  -7.039  -3.477  -9.061
   78   3HD1  LEU   9          3HD       LEU   9  -6.788  -5.148  -9.414
   79   1HD2  LEU   9          1HD       LEU   9  -8.393  -4.017 -12.444
   80   2HD2  LEU   9          2HD       LEU   9  -7.905  -5.552 -11.717
   81   3HD2  LEU   9          3HD       LEU   9  -8.717  -4.366 -10.713
   82    H    GLU  10           H        GLU  10  -8.495  -0.139 -12.277
   83    HA   GLU  10           HA       GLU  10  -6.666   1.926 -12.898
   84   1HB   GLU  10          2HB       GLU  10  -8.969   1.054 -14.024
   85   2HB   GLU  10          3HB       GLU  10  -9.629   2.414 -13.116
   86   1HG   GLU  10          2HG       GLU  10  -9.083   3.284 -15.251
   87   2HG   GLU  10          3HG       GLU  10  -7.768   3.840 -14.207
   88    H    GLU  11           H        GLU  11  -9.234   1.740 -10.405
   89    HA   GLU  11           HA       GLU  11  -9.013   4.508  -9.681
   90   1HB   GLU  11          2HB       GLU  11 -10.982   3.038  -9.205
   91   2HB   GLU  11          3HB       GLU  11  -9.993   2.102  -8.088
   92   1HG   GLU  11          2HG       GLU  11 -11.369   3.564  -6.831
   93   2HG   GLU  11          3HG       GLU  11  -9.715   4.092  -6.651
   94    H    ILE  12           H        ILE  12  -7.410   1.480  -8.498
   95    HA   ILE  12           HA       ILE  12  -5.961   2.741  -6.423
   96    HB   ILE  12           HB       ILE  12  -5.351   0.346  -8.166
   97   1HG1  ILE  12          2HG       ILE  12  -6.005   0.365  -5.221
   98   2HG1  ILE  12          3HG       ILE  12  -7.261   0.669  -6.392
   99   1HG2  ILE  12          1HG       ILE  12  -3.826   1.394  -5.758
  100   2HG2  ILE  12          2HG       ILE  12  -3.749  -0.301  -6.287
  101   3HG2  ILE  12          3HG       ILE  12  -3.200   0.963  -7.383
  102   1HD1  ILE  12          1HD       ILE  12  -6.813  -1.462  -7.527
  103   2HD1  ILE  12          2HD       ILE  12  -5.542  -1.822  -6.332
  104   3HD1  ILE  12          3HD       ILE  12  -7.251  -1.677  -5.839
  105    H    LYS  13           H        LYS  13  -5.159   2.412  -9.928
  106    HA   LYS  13           HA       LYS  13  -2.609   3.774  -9.568
  107   1HB   LYS  13          2HB       LYS  13  -4.251   3.347 -12.089
  108   2HB   LYS  13          3HB       LYS  13  -2.584   3.926 -12.040
  109   1HG   LYS  13          2HG       LYS  13  -1.717   1.842 -11.736
  110   2HG   LYS  13          3HG       LYS  13  -2.870   1.461 -10.469
  111   1HD   LYS  13          2HD       LYS  13  -3.510  -0.101 -11.996
  112   2HD   LYS  13          3HD       LYS  13  -4.580   1.221 -12.472
  113   1HE   LYS  13          2HE       LYS  13  -2.793   1.903 -14.160
  114   2HE   LYS  13          3HE       LYS  13  -2.001   0.353 -13.798
  115   1HZ   LYS  13          1HZ       LYS  13  -4.734   0.747 -14.836
  116   2HZ   LYS  13          2HZ       LYS  13  -3.484   0.145 -15.683
  117   3HZ   LYS  13          3HZ       LYS  13  -4.126  -0.717 -14.425
  118    H    LYS  14           H        LYS  14  -5.938   4.887  -9.783
  119    HA   LYS  14           HA       LYS  14  -5.340   7.557 -10.664
  120   1HB   LYS  14          2HB       LYS  14  -7.610   6.278 -10.496
  121   2HB   LYS  14          3HB       LYS  14  -7.596   6.774  -8.795
  122   1HG   LYS  14          2HG       LYS  14  -7.446   9.162  -9.526
  123   2HG   LYS  14          3HG       LYS  14  -7.556   8.611 -11.218
  124   1HD   LYS  14          2HD       LYS  14  -9.718   7.527 -10.726
  125   2HD   LYS  14          3HD       LYS  14  -9.580   8.001  -9.017
  126   1HE   LYS  14          2HE       LYS  14  -9.631  10.351  -9.600
  127   2HE   LYS  14          3HE       LYS  14  -9.652   9.963 -11.332
  128   1HZ   LYS  14          1HZ       LYS  14 -11.767   8.909 -11.037
  129   2HZ   LYS  14          2HZ       LYS  14 -11.733   9.109  -9.416
  130   3HZ   LYS  14          3HZ       LYS  14 -11.877  10.431 -10.406
  131    H    HIS  15           H        HIS  15  -4.569   5.884  -7.681
  132    HA   HIS  15           HA       HIS  15  -3.737   8.512  -6.629
  133   1HB   HIS  15          2HB       HIS  15  -4.578   6.796  -4.476
  134   2HB   HIS  15          3HB       HIS  15  -4.904   8.482  -4.804
  135    HD1  HIS  15           HD1      HIS  15  -7.225   9.028  -6.120
  136    HD2  HIS  15           HD2      HIS  15  -6.432   4.986  -5.312
  137    HE1  HIS  15           HE1      HIS  15  -9.479   7.774  -6.286
  138    H    ASN  16           H        ASN  16  -1.733   8.218  -7.116
  139    HA   ASN  16           HA       ASN  16  -0.195   6.179  -5.600
  140   1HB   ASN  16          2HB       ASN  16   1.335   5.894  -7.489
  141   2HB   ASN  16          3HB       ASN  16  -0.308   5.465  -7.971
  142   1HD2  ASN  16          1HD       ASN  16  -1.448   6.874  -9.521
  143   2HD2  ASN  16          2HD       ASN  16  -0.626   8.254 -10.202
  144    H    HIS  17           H        HIS  17  -0.878   9.271  -5.419
  145    HA   HIS  17           HA       HIS  17   1.904  10.318  -5.684
  146   1HB   HIS  17          2HB       HIS  17  -0.623  11.944  -5.992
  147   2HB   HIS  17          3HB       HIS  17   1.021  12.392  -6.428
  148    HD1  HIS  17           HD1      HIS  17   1.962  11.291  -8.782
  149    HD2  HIS  17           HD2      HIS  17  -2.054  10.515  -7.750
  150    HE1  HIS  17           HE1      HIS  17   0.803  10.512 -10.905
  151    H    SER  18           H        SER  18   2.016  12.520  -4.329
  152    HA   SER  18           HA       SER  18   1.593  11.904  -1.561
  153   1HB   SER  18          2HB       SER  18   2.487  14.282  -1.369
  154   2HB   SER  18          3HB       SER  18   3.519  13.158  -2.284
  155    HG   SER  18           HG       SER  18   1.701  15.066  -3.307
  156    H    LYS  19           H        LYS  19  -0.733  11.531  -1.740
  157    HA   LYS  19           HA       LYS  19  -2.347  13.617  -0.716
  158   1HB   LYS  19          2HB       LYS  19  -2.355  14.406  -3.100
  159   2HB   LYS  19          3HB       LYS  19  -3.028  12.861  -3.611
  160   1HG   LYS  19          2HG       LYS  19  -4.430  14.398  -1.420
  161   2HG   LYS  19          3HG       LYS  19  -4.506  15.058  -3.048
  162   1HD   LYS  19          2HD       LYS  19  -5.425  12.231  -2.355
  163   2HD   LYS  19          3HD       LYS  19  -6.459  13.662  -2.428
  164   1HE   LYS  19          2HE       LYS  19  -5.588  14.032  -4.806
  165   2HE   LYS  19          3HE       LYS  19  -4.875  12.413  -4.707
  166   1HZ   LYS  19          1HZ       LYS  19  -7.736  13.077  -4.415
  167   2HZ   LYS  19          2HZ       LYS  19  -7.041  12.339  -5.709
  168   3HZ   LYS  19          3HZ       LYS  19  -7.107  11.567  -4.248
  169    H    SER  20           H        SER  20  -2.237  10.630  -2.638
  170    HA   SER  20           HA       SER  20  -3.359   9.051  -0.515
  171   1HB   SER  20          2HB       SER  20  -4.933   9.643  -3.001
  172   2HB   SER  20          3HB       SER  20  -4.832   7.949  -2.491
  173    HG   SER  20           HG       SER  20  -5.564   8.670  -0.392
  174    H    THR  21           H        THR  21  -1.291   8.394  -0.520
  175    HA   THR  21           HA       THR  21  -0.062   7.076  -2.862
  176    HB   THR  21           HB       THR  21   0.660   7.415   0.084
  177    HG1  THR  21          1HG       THR  21   0.726   9.090  -1.819
  178   1HG2  THR  21          1HG       THR  21   2.818   6.543  -0.381
  179   2HG2  THR  21          2HG       THR  21   1.676   5.321  -0.948
  180   3HG2  THR  21          3HG       THR  21   2.471   6.384  -2.125
  181    H    TRP  22           H        TRP  22  -2.008   5.651  -3.193
  182    HA   TRP  22           HA       TRP  22  -2.459   3.725  -1.028
  183   1HB   TRP  22          2HB       TRP  22  -3.390   3.877  -3.903
  184   2HB   TRP  22          3HB       TRP  22  -3.755   2.504  -2.861
  185    HD1  TRP  22           HD1      TRP  22  -3.956   5.555  -0.870
  186    HE1  TRP  22           HE1      TRP  22  -6.327   6.291  -0.457
  187    HE3  TRP  22           HE3      TRP  22  -6.221   2.421  -4.154
  188    HZ2  TRP  22           HZ2      TRP  22  -8.972   5.734  -1.654
  189    HZ3  TRP  22           HZ3      TRP  22  -8.657   2.569  -4.570
  190    HH2  TRP  22           HH2      TRP  22 -10.029   4.257  -3.362
  191    H    LEU  23           H        LEU  23  -2.180   1.362  -1.685
  192    HA   LEU  23           HA       LEU  23  -0.550   0.654  -3.870
  193   1HB   LEU  23          2HB       LEU  23   1.421  -0.255  -2.588
  194   2HB   LEU  23          3HB       LEU  23   1.364   1.469  -2.799
  195    HG   LEU  23           HG       LEU  23   0.244   1.454  -0.346
  196   1HD1  LEU  23          1HD       LEU  23   1.193  -0.278   1.050
  197   2HD1  LEU  23          2HD       LEU  23   0.251  -1.068  -0.224
  198   3HD1  LEU  23          3HD       LEU  23   2.034  -1.000  -0.335
  199   1HD2  LEU  23          1HD       LEU  23   3.162   1.113  -1.203
  200   2HD2  LEU  23          2HD       LEU  23   2.292   2.624  -0.857
  201   3HD2  LEU  23          3HD       LEU  23   2.718   1.505   0.453
  202    H    ILE  24           H        ILE  24  -0.022  -1.743  -3.755
  203    HA   ILE  24           HA       ILE  24  -2.311  -3.052  -2.395
  204    HB   ILE  24           HB       ILE  24  -0.727  -3.782  -4.885
  205   1HG1  ILE  24          2HG       ILE  24  -3.656  -3.122  -4.743
  206   2HG1  ILE  24          3HG       ILE  24  -2.453  -1.854  -4.951
  207   1HG2  ILE  24          1HG       ILE  24  -3.104  -5.233  -3.652
  208   2HG2  ILE  24          2HG       ILE  24  -2.327  -5.632  -5.201
  209   3HG2  ILE  24          3HG       ILE  24  -1.426  -5.835  -3.714
  210   1HD1  ILE  24          1HD       ILE  24  -3.289  -2.549  -7.148
  211   2HD1  ILE  24          2HD       ILE  24  -1.561  -2.900  -6.976
  212   3HD1  ILE  24          3HD       ILE  24  -2.748  -4.210  -6.857
  213    H    LEU  25           H        LEU  25  -1.680  -4.292  -0.652
  214    HA   LEU  25           HA       LEU  25   0.867  -5.795  -0.902
  215   1HB   LEU  25          2HB       LEU  25  -0.319  -4.428   1.530
  216   2HB   LEU  25          3HB       LEU  25   0.910  -5.682   1.649
  217    HG   LEU  25           HG       LEU  25   1.256  -3.136   0.009
  218   1HD1  LEU  25          1HD       LEU  25   2.621  -2.344   1.873
  219   2HD1  LEU  25          2HD       LEU  25   0.929  -2.625   2.369
  220   3HD1  LEU  25          3HD       LEU  25   2.209  -3.806   2.802
  221   1HD2  LEU  25          1HD       LEU  25   2.727  -4.816  -0.730
  222   2HD2  LEU  25          2HD       LEU  25   3.695  -3.806   0.346
  223   3HD2  LEU  25          3HD       LEU  25   3.068  -5.378   0.926
  224    H    HIS  26           H        HIS  26   0.431  -7.866  -1.078
  225    HA   HIS  26           HA       HIS  26  -0.630  -9.874  -0.952
  226   1HB   HIS  26          2HB       HIS  26  -1.617  -9.020   1.777
  227   2HB   HIS  26          3HB       HIS  26  -1.182 -10.635   1.224
  228    HD1  HIS  26           HD1      HIS  26   1.663 -10.912   0.811
  229    HD2  HIS  26           HD2      HIS  26   0.178  -7.621   2.986
  230    HE1  HIS  26           HE1      HIS  26   3.628  -9.945   2.118
  231    H    HIS  27           H        HIS  27  -2.058  -8.566  -2.604
  232    HA   HIS  27           HA       HIS  27  -4.006  -7.938  -3.502
  233   1HB   HIS  27          2HB       HIS  27  -5.220 -10.305  -2.059
  234   2HB   HIS  27          3HB       HIS  27  -5.627  -9.664  -3.651
  235    HD1  HIS  27           HD1      HIS  27  -4.294 -12.643  -2.435
  236    HD2  HIS  27           HD2      HIS  27  -2.850  -9.771  -5.162
  237    HE1  HIS  27           HE1      HIS  27  -2.590 -13.834  -3.936
  238    H    LYS  28           H        LYS  28  -3.645  -6.480  -1.042
  239    HA   LYS  28           HA       LYS  28  -6.502  -5.831  -0.709
  240   1HB   LYS  28          2HB       LYS  28  -4.472  -6.172   1.505
  241   2HB   LYS  28          3HB       LYS  28  -5.647  -4.863   1.617
  242   1HG   LYS  28          2HG       LYS  28  -6.896  -6.427   2.652
  243   2HG   LYS  28          3HG       LYS  28  -7.381  -6.802   1.007
  244   1HD   LYS  28          2HD       LYS  28  -5.771  -8.631   0.895
  245   2HD   LYS  28          3HD       LYS  28  -5.136  -8.200   2.506
  246   1HE   LYS  28          2HE       LYS  28  -7.432  -8.531   3.446
  247   2HE   LYS  28          3HE       LYS  28  -8.003  -9.025   1.842
  248   1HZ   LYS  28          1HZ       LYS  28  -7.463 -10.927   3.181
  249   2HZ   LYS  28          2HZ       LYS  28  -6.395 -10.827   1.923
  250   3HZ   LYS  28          3HZ       LYS  28  -5.923 -10.385   3.437
  251    H    VAL  29           H        VAL  29  -6.552  -3.381   0.232
  252    HA   VAL  29           HA       VAL  29  -4.635  -1.860  -1.430
  253    HB   VAL  29           HB       VAL  29  -7.650  -1.950  -1.282
  254   1HG1  VAL  29          1HG       VAL  29  -7.391   0.219  -0.622
  255   2HG1  VAL  29          2HG       VAL  29  -6.042   0.567  -1.742
  256   3HG1  VAL  29          3HG       VAL  29  -7.702   0.321  -2.355
  257   1HG2  VAL  29          1HG       VAL  29  -5.769  -1.313  -3.524
  258   2HG2  VAL  29          2HG       VAL  29  -6.365  -2.959  -3.125
  259   3HG2  VAL  29          3HG       VAL  29  -7.517  -1.683  -3.604
  260    H    TYR  30           H        TYR  30  -3.535  -0.398  -0.242
  261    HA   TYR  30           HA       TYR  30  -4.442   0.265   2.462
  262   1HB   TYR  30          2HB       TYR  30  -1.770  -0.235   1.112
  263   2HB   TYR  30          3HB       TYR  30  -1.933   0.518   2.670
  264    HD1  TYR  30           HD1      TYR  30  -2.354  -0.779   4.656
  265    HD2  TYR  30           HD2      TYR  30  -2.612  -2.632   0.786
  266    HE1  TYR  30           HE1      TYR  30  -2.416  -3.008   5.730
  267    HE2  TYR  30           HE2      TYR  30  -2.686  -4.856   1.861
  268    HH   TYR  30           HH       TYR  30  -2.419  -6.042   3.843
  269    H    ASP  31           H        ASP  31  -3.890   2.519   3.138
  270    HA   ASP  31           HA       ASP  31  -2.951   4.284   0.948
  271   1HB   ASP  31          2HB       ASP  31  -5.422   4.685   1.373
  272   2HB   ASP  31          3HB       ASP  31  -4.989   5.209   3.003
  273    H    LEU  32           H        LEU  32  -1.012   4.949   1.539
  274    HA   LEU  32           HA       LEU  32  -0.332   5.049   4.444
  275   1HB   LEU  32          2HB       LEU  32   1.704   4.855   2.241
  276   2HB   LEU  32          3HB       LEU  32   1.873   4.536   3.958
  277    HG   LEU  32           HG       LEU  32   0.620   2.784   1.834
  278   1HD1  LEU  32          1HD       LEU  32   2.792   2.349   3.932
  279   2HD1  LEU  32          2HD       LEU  32   2.355   1.245   2.617
  280   3HD1  LEU  32          3HD       LEU  32   3.080   2.820   2.244
  281   1HD2  LEU  32          1HD       LEU  32  -0.904   2.500   3.688
  282   2HD2  LEU  32          2HD       LEU  32   0.183   1.114   3.655
  283   3HD2  LEU  32          3HD       LEU  32   0.435   2.407   4.853
  284    H    THR  33           H        THR  33  -1.349   7.166   2.190
  285    HA   THR  33           HA       THR  33   0.650   9.086   1.836
  286    HB   THR  33           HB       THR  33  -2.232   9.037   1.639
  287    HG1  THR  33          1HG       THR  33  -0.257  10.797   0.635
  288   1HG2  THR  33          1HG       THR  33  -2.633  11.453   1.873
  289   2HG2  THR  33          2HG       THR  33  -2.339  10.682   3.425
  290   3HG2  THR  33          3HG       THR  33  -1.040  11.632   2.640
  291    H    LYS  34           H        LYS  34  -1.406   8.688   4.771
  292    HA   LYS  34           HA       LYS  34  -0.147  11.043   5.922
  293   1HB   LYS  34          2HB       LYS  34  -2.567   9.919   6.231
  294   2HB   LYS  34          3HB       LYS  34  -1.784   9.133   7.598
  295   1HG   LYS  34          2HG       LYS  34  -1.351  12.100   7.337
  296   2HG   LYS  34          3HG       LYS  34  -3.012  11.589   7.608
  297   1HD   LYS  34          2HD       LYS  34  -2.402  10.377   9.624
  298   2HD   LYS  34          3HD       LYS  34  -0.690  10.767   9.409
  299   1HE   LYS  34          2HE       LYS  34  -2.638  13.056   9.374
  300   2HE   LYS  34          3HE       LYS  34  -2.415  12.238  10.927
  301   1HZ   LYS  34          1HZ       LYS  34  -0.210  13.350   9.312
  302   2HZ   LYS  34          2HZ       LYS  34  -0.881  14.079  10.631
  303   3HZ   LYS  34          3HZ       LYS  34  -0.077  12.651  10.791
  304    H    PHE  35           H        PHE  35   0.863   7.865   5.633
  305    HA   PHE  35           HA       PHE  35   2.452   7.764   8.114
  306   1HB   PHE  35          2HB       PHE  35   0.935   5.929   7.614
  307   2HB   PHE  35          3HB       PHE  35   1.636   5.695   6.039
  308    HD1  PHE  35          1HD       PHE  35   2.821   5.771   9.634
  309    HD2  PHE  35          2HD       PHE  35   3.103   3.898   5.771
  310    HE1  PHE  35          1HE       PHE  35   4.664   4.334  10.464
  311    HE2  PHE  35          2HE       PHE  35   4.823   2.357   6.651
  312    HZ   PHE  35           HZ       PHE  35   5.715   2.656   8.943
  313    H    LEU  36           H        LEU  36   2.616   8.506   4.837
  314    HA   LEU  36           HA       LEU  36   5.108   7.708   3.927
  315   1HB   LEU  36          2HB       LEU  36   3.567  10.309   3.647
  316   2HB   LEU  36          3HB       LEU  36   5.190  10.197   3.004
  317    HG   LEU  36           HG       LEU  36   2.832   8.480   2.177
  318   1HD1  LEU  36          1HD       LEU  36   3.156   9.678   0.029
  319   2HD1  LEU  36          2HD       LEU  36   2.816  10.808   1.354
  320   3HD1  LEU  36          3HD       LEU  36   4.476  10.619   0.760
  321   1HD2  LEU  36          1HD       LEU  36   4.525   7.783   0.346
  322   2HD2  LEU  36          2HD       LEU  36   5.776   8.313   1.487
  323   3HD2  LEU  36          3HD       LEU  36   4.628   7.020   1.932
  324    H    GLU  37           H        GLU  37   4.490  10.471   6.112
  325    HA   GLU  37           HA       GLU  37   7.381  10.904   6.422
  326   1HB   GLU  37          2HB       GLU  37   4.897  12.374   7.400
  327   2HB   GLU  37          3HB       GLU  37   6.549  12.884   7.794
  328   1HG   GLU  37          2HG       GLU  37   7.093  13.185   5.439
  329   2HG   GLU  37          3HG       GLU  37   5.518  12.555   4.943
  330    H    GLU  38           H        GLU  38   5.545   8.596   7.714
  331    HA   GLU  38           HA       GLU  38   6.549   8.880  10.505
  332   1HB   GLU  38          2HB       GLU  38   4.206   7.419   9.293
  333   2HB   GLU  38          3HB       GLU  38   4.746   7.139  10.946
  334   1HG   GLU  38          2HG       GLU  38   4.295   9.561  11.433
  335   2HG   GLU  38          3HG       GLU  38   3.590   9.713   9.813
  336    H    HIS  39           HN       HIS  39   6.968   7.215   7.531
  337    HA   HIS  39           HA       HIS  39   7.569   4.642   8.501
  338   1HB   HIS  39          2HB       HIS  39   7.466   5.898   6.015
  339   2HB   HIS  39          3HB       HIS  39   9.160   5.600   6.158
  340    HD1  HIS  39           HND      HIS  39   6.096   4.199   5.014
  341    HD2  HIS  39           HD       HIS  39   9.577   2.570   6.723
  342    HE1  HIS  39           HE       HIS  39   6.057   1.743   4.477
  343    HA   PRO  40           HA       PRO  40  11.305   5.846  10.597
  344   1HB   PRO  40          2HB       PRO  40  12.540   3.410  11.040
  345   2HB   PRO  40          3HB       PRO  40  11.090   3.990  11.921
  346   1HG   PRO  40          2HG       PRO  40  11.199   2.174   9.499
  347   2HG   PRO  40          3HG       PRO  40  10.281   1.947  11.033
  348   1HD   PRO  40          2HD       PRO  40   9.076   2.937   8.832
  349   2HD   PRO  40          3HD       PRO  40   8.712   3.617  10.443
  350    H    GLY  41           H        GLY  41  11.400   4.628   7.438
  351   1HA   GLY  41          2HA       GLY  41  13.787   6.126   6.941
  352   2HA   GLY  41          3HA       GLY  41  14.200   4.416   6.956
  353    H    GLY  42           H        GLY  42  10.962   4.875   5.689
  354   1HA   GLY  42          2HA       GLY  42  12.041   5.130   2.929
  355   2HA   GLY  42          3HA       GLY  42  11.013   3.777   3.362
  356    H    GLU  43           H        GLU  43  11.174   7.067   2.726
  357    HA   GLU  43           HA       GLU  43   8.191   7.130   2.453
  358   1HB   GLU  43          2HB       GLU  43   8.208   9.348   2.358
  359   2HB   GLU  43          3HB       GLU  43   9.412   9.045   3.602
  360   1HG   GLU  43          2HG       GLU  43  11.214   9.713   2.151
  361   2HG   GLU  43          3HG       GLU  43  10.193   9.671   0.710
  362    H    GLU  44           H        GLU  44  11.320   7.480   0.714
  363    HA   GLU  44           HA       GLU  44  10.013   8.122  -1.748
  364   1HB   GLU  44          2HB       GLU  44  12.056   8.317  -2.728
  365   2HB   GLU  44          3HB       GLU  44  12.466   8.619  -1.040
  366   1HG   GLU  44          2HG       GLU  44  13.245   6.235  -0.854
  367   2HG   GLU  44          3HG       GLU  44  12.889   6.007  -2.579
  368    H    VAL  45           H        VAL  45  11.474   5.087  -0.475
  369    HA   VAL  45           HA       VAL  45  10.764   3.462  -2.698
  370    HB   VAL  45           HB       VAL  45  10.630   1.641  -1.000
  371   1HG1  VAL  45          1HG       VAL  45  12.944   1.746  -0.276
  372   2HG1  VAL  45          2HG       VAL  45  12.770   2.316  -1.943
  373   3HG1  VAL  45          3HG       VAL  45  13.006   3.489  -0.628
  374   1HG2  VAL  45          1HG       VAL  45   9.918   2.140   1.066
  375   2HG2  VAL  45          2HG       VAL  45  11.546   2.749   1.378
  376   3HG2  VAL  45          3HG       VAL  45  10.244   3.860   0.902
  377    H    LEU  46           H        LEU  46   8.652   5.170  -0.525
  378    HA   LEU  46           HA       LEU  46   6.518   3.037  -0.973
  379   1HB   LEU  46          2HB       LEU  46   5.991   5.823   0.088
  380   2HB   LEU  46          3HB       LEU  46   4.899   4.434   0.028
  381    HG   LEU  46           HG       LEU  46   7.298   4.902   1.770
  382   1HD1  LEU  46          1HD       LEU  46   5.217   3.561   3.158
  383   2HD1  LEU  46          2HD       LEU  46   5.630   5.287   3.251
  384   3HD1  LEU  46          3HD       LEU  46   4.392   4.710   2.122
  385   1HD2  LEU  46          1HD       LEU  46   7.663   2.621   0.819
  386   2HD2  LEU  46          2HD       LEU  46   7.364   2.630   2.522
  387   3HD2  LEU  46          3HD       LEU  46   6.048   2.154   1.400
  388    H    ARG  47           H        ARG  47   7.544   6.050  -2.465
  389    HA   ARG  47           HA       ARG  47   5.130   6.177  -4.117
  390   1HB   ARG  47          2HB       ARG  47   7.711   7.756  -3.962
  391   2HB   ARG  47          3HB       ARG  47   6.604   7.929  -5.351
  392   1HG   ARG  47          2HG       ARG  47   4.713   8.331  -3.745
  393   2HG   ARG  47          3HG       ARG  47   5.880   8.351  -2.414
  394   1HD   ARG  47          2HD       ARG  47   5.975  10.186  -4.846
  395   2HD   ARG  47          3HD       ARG  47   5.190  10.626  -3.334
  396    HE   ARG  47           HE       ARG  47   8.047  10.493  -3.912
  397   1HH1  ARG  47          2HH       ARG  47   5.676  10.554  -1.245
  398   2HH1  ARG  47          1HH       ARG  47   6.834  11.239  -0.119
  399   1HH2  ARG  47          2HH       ARG  47   9.505  11.442  -2.335
  400   2HH2  ARG  47          1HH       ARG  47   8.916  11.720  -0.729
  401    H    GLU  48           H        GLU  48   8.217   4.457  -4.315
  402    HA   GLU  48           HA       GLU  48   8.107   4.140  -7.172
  403   1HB   GLU  48          2HB       GLU  48   9.565   2.852  -4.852
  404   2HB   GLU  48          3HB       GLU  48   9.519   2.018  -6.388
  405   1HG   GLU  48          2HG       GLU  48  10.240   4.341  -7.409
  406   2HG   GLU  48          3HG       GLU  48  10.757   4.695  -5.756
  407    H    GLN  49           H        GLN  49   6.299   2.676  -4.558
  408    HA   GLN  49           HA       GLN  49   5.286   0.611  -6.480
  409   1HB   GLN  49          2HB       GLN  49   5.457   0.597  -3.449
  410   2HB   GLN  49          3HB       GLN  49   4.822  -0.712  -4.469
  411   1HG   GLN  49          2HG       GLN  49   7.704   0.287  -4.585
  412   2HG   GLN  49          3HG       GLN  49   7.132  -1.050  -3.602
  413   1HE2  GLN  49          1HE       GLN  49   8.962  -2.076  -5.064
  414   2HE2  GLN  49          2HE       GLN  49   8.316  -2.824  -6.524
  415    H    ALA  50           H        ALA  50   4.433   3.523  -5.285
  416    HA   ALA  50           HA       ALA  50   1.896   3.084  -4.143
  417   1HB   ALA  50          1HB       ALA  50   1.510   5.450  -4.571
  418   2HB   ALA  50          2HB       ALA  50   3.146   5.176  -3.972
  419   3HB   ALA  50          3HB       ALA  50   2.893   5.488  -5.705
  420    H    GLY  51           H        GLY  51  -0.179   2.914  -4.981
  421   1HA   GLY  51          2HA       GLY  51  -1.841   2.316  -6.477
  422   2HA   GLY  51          3HA       GLY  51  -0.970   3.267  -7.687
  423    H    GLY  52           H        GLY  52   0.980   0.696  -6.239
  424   1HA   GLY  52          2HA       GLY  52   0.500  -1.065  -8.569
  425   2HA   GLY  52          3HA       GLY  52   2.122  -0.479  -8.122
  426    H    ASP  53           H        ASP  53   2.139  -3.072  -8.052
  427    HA   ASP  53           HA       ASP  53   1.156  -4.087  -5.467
  428   1HB   ASP  53          2HB       ASP  53   1.033  -5.547  -7.476
  429   2HB   ASP  53          3HB       ASP  53   2.818  -5.623  -7.443
  430    H    ALA  54           H        ALA  54   2.207  -3.272  -3.836
  431    HA   ALA  54           HA       ALA  54   5.116  -2.937  -3.979
  432   1HB   ALA  54          1HB       ALA  54   3.229  -2.574  -1.630
  433   2HB   ALA  54          2HB       ALA  54   4.847  -1.856  -1.859
  434   3HB   ALA  54          3HB       ALA  54   3.478  -1.327  -2.858
  435    H    THR  55           H        THR  55   3.101  -5.656  -3.406
  436    HA   THR  55           HA       THR  55   3.934  -6.569  -0.940
  437    HB   THR  55           HB       THR  55   3.254  -8.396  -3.288
  438    HG1  THR  55          1HG       THR  55   1.591  -7.140  -3.531
  439   1HG2  THR  55          1HG       THR  55   1.986  -9.550  -1.518
  440   2HG2  THR  55          2HG       THR  55   3.704  -9.397  -1.081
  441   3HG2  THR  55          3HG       THR  55   2.506  -8.294  -0.358
  442    H    GLU  56           H        GLU  56   5.424  -7.055  -4.150
  443    HA   GLU  56           HA       GLU  56   7.437  -8.951  -3.447
  444   1HB   GLU  56          2HB       GLU  56   7.429  -6.524  -5.312
  445   2HB   GLU  56          3HB       GLU  56   8.791  -7.640  -5.235
  446   1HG   GLU  56          2HG       GLU  56   5.997  -8.688  -5.784
  447   2HG   GLU  56          3HG       GLU  56   6.947  -7.938  -7.070
  448    H    ASN  57           H        ASN  57   7.439  -5.357  -3.193
  449    HA   ASN  57           HA       ASN  57  10.095  -5.270  -2.070
  450   1HB   ASN  57          2HB       ASN  57   8.079  -3.354  -2.852
  451   2HB   ASN  57          3HB       ASN  57   8.450  -3.042  -1.163
  452   1HD2  ASN  57          1HD       ASN  57  11.121  -3.484  -0.829
  453   2HD2  ASN  57          2HD       ASN  57  12.018  -2.492  -1.973
  454    H    PHE  58           H        PHE  58   6.838  -5.397  -0.781
  455    HA   PHE  58           HA       PHE  58   7.538  -5.027   2.025
  456   1HB   PHE  58          2HB       PHE  58   5.238  -5.329   0.944
  457   2HB   PHE  58          3HB       PHE  58   5.435  -7.050   1.237
  458    HD1  PHE  58          1HD       PHE  58   5.356  -3.688   2.864
  459    HD2  PHE  58          2HD       PHE  58   5.067  -7.945   3.477
  460    HE1  PHE  58          1HE       PHE  58   4.551  -3.309   5.180
  461    HE2  PHE  58          2HE       PHE  58   4.249  -7.557   5.777
  462    HZ   PHE  58           HZ       PHE  58   3.977  -5.226   6.635
  463    H    GLU  59           H        GLU  59   7.418  -8.156   0.242
  464    HA   GLU  59           HA       GLU  59   8.316  -9.712   2.484
  465   1HB   GLU  59          2HB       GLU  59   7.855 -10.086  -0.478
  466   2HB   GLU  59          3HB       GLU  59   8.804 -11.296   0.342
  467   1HG   GLU  59          2HG       GLU  59   6.026 -10.409   1.242
  468   2HG   GLU  59          3HG       GLU  59   6.339 -11.803   0.210
  469    H    ASP  60           H        ASP  60  10.005  -8.216  -0.312
  470    HA   ASP  60           HA       ASP  60  12.498  -9.477   0.144
  471   1HB   ASP  60          2HB       ASP  60  11.463  -7.400  -1.593
  472   2HB   ASP  60          3HB       ASP  60  12.916  -6.782  -0.850
  473    H    VAL  61           H        VAL  61  11.076  -6.561   1.591
  474    HA   VAL  61           HA       VAL  61  13.523  -5.845   3.020
  475    HB   VAL  61           HB       VAL  61  10.607  -5.056   3.358
  476   1HG1  VAL  61          1HG       VAL  61  11.726  -4.717   5.530
  477   2HG1  VAL  61          2HG       VAL  61  13.080  -3.897   4.725
  478   3HG1  VAL  61          3HG       VAL  61  11.467  -3.153   4.746
  479   1HG2  VAL  61          1HG       VAL  61  11.243  -2.980   2.290
  480   2HG2  VAL  61          2HG       VAL  61  12.962  -3.439   2.297
  481   3HG2  VAL  61          3HG       VAL  61  11.820  -4.300   1.260
  482    H    GLY  62           H        GLY  62  10.662  -7.927   3.655
  483   1HA   GLY  62          2HA       GLY  62  10.549  -9.652   5.223
  484   2HA   GLY  62          3HA       GLY  62  12.213  -9.294   5.725
  485    H    HIS  63           HN       HIS  63   9.391  -7.172   5.582
  486    HA   HIS  63           HA       HIS  63   9.959  -5.592   7.659
  487   1HB   HIS  63          2HB       HIS  63   7.451  -6.385   6.195
  488   2HB   HIS  63          3HB       HIS  63   7.211  -5.409   7.609
  489    HD1  HIS  63           HND      HIS  63   8.595  -5.142   4.118
  490    HD2  HIS  63           HD       HIS  63   7.950  -2.863   7.591
  491    HE1  HIS  63           HE       HIS  63   8.748  -2.739   3.407
  492    H    SER  64           H        SER  64   9.515  -5.334   9.850
  493    HA   SER  64           HA       SER  64   9.318  -7.586  11.479
  494   1HB   SER  64          2HB       SER  64   8.894  -4.636  12.120
  495   2HB   SER  64          3HB       SER  64   9.414  -5.901  13.261
  496    HG   SER  64           HG       SER  64  11.162  -4.616  12.232
  497    H    THR  65           H        THR  65   7.664  -7.966  13.304
  498    HA   THR  65           HA       THR  65   5.105  -8.237  12.285
  499    HB   THR  65           HB       THR  65   5.985  -8.061  15.197
  500    HG1  THR  65          1HG       THR  65   6.052 -10.299  13.459
  501   1HG2  THR  65          1HG       THR  65   4.260  -9.851  15.468
  502   2HG2  THR  65          2HG       THR  65   3.568  -8.307  14.935
  503   3HG2  THR  65          3HG       THR  65   3.791  -9.624  13.763
  504    H    ASP  66           H        ASP  66   6.399  -5.643  14.456
  505    HA   ASP  66           HA       ASP  66   4.053  -4.261  14.869
  506   1HB   ASP  66          2HB       ASP  66   6.873  -3.172  14.482
  507   2HB   ASP  66          3HB       ASP  66   5.524  -2.273  15.179
  508    H    ALA  67           H        ALA  67   6.096  -4.288  11.974
  509    HA   ALA  67           HA       ALA  67   4.738  -2.058  10.672
  510   1HB   ALA  67          1HB       ALA  67   5.855  -2.874   8.653
  511   2HB   ALA  67          2HB       ALA  67   7.042  -2.830   9.983
  512   3HB   ALA  67          3HB       ALA  67   6.335  -4.365   9.468
  513    H    ARG  68           H        ARG  68   4.458  -5.669  10.577
  514    HA   ARG  68           HA       ARG  68   2.359  -5.675   8.695
  515   1HB   ARG  68          2HB       ARG  68   3.246  -7.597  10.856
  516   2HB   ARG  68          3HB       ARG  68   1.742  -7.904   9.976
  517   1HG   ARG  68          2HG       ARG  68   2.802  -8.113   7.906
  518   2HG   ARG  68          3HG       ARG  68   4.231  -7.198   8.416
  519   1HD   ARG  68          2HD       ARG  68   4.699  -9.602   8.156
  520   2HD   ARG  68          3HD       ARG  68   5.023  -8.997   9.792
  521    HE   ARG  68           HE       ARG  68   2.408  -9.977   9.832
  522   1HH1  ARG  68          2HH       ARG  68   5.627 -11.245   9.182
  523   2HH1  ARG  68          1HH       ARG  68   5.326 -12.834   9.784
  524   1HH2  ARG  68          2HH       ARG  68   1.950 -12.110  10.686
  525   2HH2  ARG  68          1HH       ARG  68   3.171 -13.329  10.664
  526    H    GLU  69           H        GLU  69   2.378  -4.886  12.223
  527    HA   GLU  69           HA       GLU  69  -0.524  -5.104  12.595
  528   1HB   GLU  69          2HB       GLU  69   1.798  -3.994  14.222
  529   2HB   GLU  69          3HB       GLU  69   0.131  -3.789  14.747
  530   1HG   GLU  69          2HG       GLU  69   1.145  -6.553  14.037
  531   2HG   GLU  69          3HG       GLU  69   1.531  -5.832  15.599
  532    H    LEU  70           H        LEU  70   1.819  -2.328  12.074
  533    HA   LEU  70           HA       LEU  70  -0.126  -0.300  12.057
  534   1HB   LEU  70          2HB       LEU  70   2.585  -0.822  10.831
  535   2HB   LEU  70          3HB       LEU  70   1.679   0.570  10.313
  536    HG   LEU  70           HG       LEU  70   2.136   0.076  13.258
  537   1HD1  LEU  70          1HD       LEU  70   4.068   1.393  11.286
  538   2HD1  LEU  70          2HD       LEU  70   4.194   1.482  13.060
  539   3HD1  LEU  70          3HD       LEU  70   4.369  -0.080  12.244
  540   1HD2  LEU  70          1HD       LEU  70   1.922   2.523  13.282
  541   2HD2  LEU  70          2HD       LEU  70   1.868   2.532  11.499
  542   3HD2  LEU  70          3HD       LEU  70   0.547   1.785  12.422
  543    H    SER  71           H        SER  71   0.614  -2.876   9.786
  544    HA   SER  71           HA       SER  71  -0.566  -1.868   7.454
  545   1HB   SER  71          2HB       SER  71  -0.907  -4.710   8.379
  546   2HB   SER  71          3HB       SER  71  -0.956  -4.116   6.739
  547    HG   SER  71           HG       SER  71   1.382  -3.598   8.199
  548    H    LYS  72           H        LYS  72  -2.023  -3.156  10.397
  549    HA   LYS  72           HA       LYS  72  -4.651  -3.479   9.374
  550   1HB   LYS  72          2HB       LYS  72  -3.417  -4.555  11.418
  551   2HB   LYS  72          3HB       LYS  72  -3.929  -3.129  12.312
  552   1HG   LYS  72          2HG       LYS  72  -6.195  -3.643  12.194
  553   2HG   LYS  72          3HG       LYS  72  -6.039  -4.551  10.685
  554   1HD   LYS  72          2HD       LYS  72  -4.973  -5.542  13.357
  555   2HD   LYS  72          3HD       LYS  72  -6.556  -5.973  12.664
  556   1HE   LYS  72          2HE       LYS  72  -5.372  -6.787  10.594
  557   2HE   LYS  72          3HE       LYS  72  -3.824  -6.506  11.407
  558   1HZ   LYS  72          1HZ       LYS  72  -5.919  -8.351  12.344
  559   2HZ   LYS  72          2HZ       LYS  72  -4.506  -8.779  11.611
  560   3HZ   LYS  72          3HZ       LYS  72  -4.472  -8.067  13.093
  561    H    THR  73           H        THR  73  -3.057  -0.530  10.308
  562    HA   THR  73           HA       THR  73  -5.746   0.718  10.622
  563    HB   THR  73           HB       THR  73  -4.261   1.045  12.503
  564    HG1  THR  73          1HG       THR  73  -5.338   3.060  10.974
  565   1HG2  THR  73          1HG       THR  73  -2.468   2.430  10.493
  566   2HG2  THR  73          2HG       THR  73  -2.360   2.661  12.252
  567   3HG2  THR  73          3HG       THR  73  -2.086   1.060  11.557
  568    H    PHE  74           H        PHE  74  -3.588   0.007   8.192
  569    HA   PHE  74           HA       PHE  74  -4.219   2.513   6.680
  570   1HB   PHE  74          2HB       PHE  74  -1.975   0.501   6.372
  571   2HB   PHE  74          3HB       PHE  74  -2.218   1.952   5.385
  572    HD1  PHE  74          1HD       PHE  74  -2.887   3.893   7.681
  573    HD2  PHE  74          2HD       PHE  74   0.178   0.913   7.072
  574    HE1  PHE  74          1HE       PHE  74  -1.401   5.087   9.263
  575    HE2  PHE  74          2HE       PHE  74   1.678   2.164   8.611
  576    HZ   PHE  74           HZ       PHE  74   0.844   4.161   9.761
  577    H    ILE  75           H        ILE  75  -4.991  -0.925   6.758
  578    HA   ILE  75           HA       ILE  75  -5.463  -1.124   3.960
  579    HB   ILE  75           HB       ILE  75  -5.566  -2.815   6.179
  580   1HG1  ILE  75          2HG       ILE  75  -6.638  -3.446   3.431
  581   2HG1  ILE  75          3HG       ILE  75  -4.940  -3.158   3.730
  582   1HG2  ILE  75          1HG       ILE  75  -8.350  -2.784   4.942
  583   2HG2  ILE  75          2HG       ILE  75  -7.721  -3.968   6.102
  584   3HG2  ILE  75          3HG       ILE  75  -7.963  -2.308   6.624
  585   1HD1  ILE  75          1HD       ILE  75  -5.149  -5.518   3.863
  586   2HD1  ILE  75          2HD       ILE  75  -5.038  -4.982   5.539
  587   3HD1  ILE  75          3HD       ILE  75  -6.616  -5.430   4.850
  588    H    ILE  76           H        ILE  76  -6.773   0.125   2.800
  589    HA   ILE  76           HA       ILE  76  -9.170   1.293   4.131
  590    HB   ILE  76           HB       ILE  76  -9.217   2.954   2.413
  591   1HG1  ILE  76          2HG       ILE  76  -6.923   3.045   0.936
  592   2HG1  ILE  76          3HG       ILE  76  -7.021   1.346   1.102
  593   1HG2  ILE  76          1HG       ILE  76  -6.392   2.773   3.480
  594   2HG2  ILE  76          2HG       ILE  76  -7.325   4.224   3.069
  595   3HG2  ILE  76          3HG       ILE  76  -7.807   3.227   4.456
  596   1HD1  ILE  76          1HD       ILE  76  -8.169   2.357  -0.931
  597   2HD1  ILE  76          2HD       ILE  76  -9.301   1.422   0.067
  598   3HD1  ILE  76          3HD       ILE  76  -9.271   3.205   0.156
  599    H    GLY  77           H        GLY  77  -8.310  -1.337   2.100
  600   1HA   GLY  77          2HA       GLY  77 -10.963  -2.171   1.782
  601   2HA   GLY  77          3HA       GLY  77 -10.515  -1.275   0.316
  602    H    GLU  78           H        GLU  78 -10.699  -3.257  -0.894
  603    HA   GLU  78           HA       GLU  78  -8.092  -4.438  -1.050
  604   1HB   GLU  78          2HB       GLU  78  -8.742  -6.719  -1.295
  605   2HB   GLU  78          3HB       GLU  78  -9.287  -6.128   0.281
  606   1HG   GLU  78          2HG       GLU  78 -11.591  -5.984  -0.512
  607   2HG   GLU  78          3HG       GLU  78 -11.086  -6.456  -2.145
  608    H    LEU  79           H        LEU  79  -8.235  -5.860  -3.360
  609    HA   LEU  79           HA       LEU  79  -9.649  -3.913  -5.114
  610   1HB   LEU  79          2HB       LEU  79  -7.954  -3.886  -6.617
  611   2HB   LEU  79          3HB       LEU  79  -7.150  -3.765  -5.059
  612    HG   LEU  79           HG       LEU  79  -7.198  -6.122  -6.962
  613   1HD1  LEU  79          1HD       LEU  79  -4.857  -5.616  -7.124
  614   2HD1  LEU  79          2HD       LEU  79  -5.674  -4.029  -7.144
  615   3HD1  LEU  79          3HD       LEU  79  -4.922  -4.609  -5.662
  616   1HD2  LEU  79          1HD       LEU  79  -5.639  -7.237  -5.331
  617   2HD2  LEU  79          2HD       LEU  79  -6.068  -6.015  -4.113
  618   3HD2  LEU  79          3HD       LEU  79  -7.291  -7.162  -4.723
  619    H    HIS  80           H        HIS  80 -10.413  -4.680  -7.070
  620    HA   HIS  80           HA       HIS  80 -11.948  -6.985  -7.008
  621   1HB   HIS  80          2HB       HIS  80 -10.757  -5.429  -9.311
  622   2HB   HIS  80          3HB       HIS  80 -11.616  -6.932  -9.616
  623    HD1  HIS  80           HD1      HIS  80 -13.802  -6.129 -10.631
  624    HD2  HIS  80           HD2      HIS  80 -12.768  -4.221  -7.019
  625    HE1  HIS  80           HE1      HIS  80 -15.851  -4.740  -9.896
  626    HA   PRO  81           HA       PRO  81  -9.202 -10.222  -7.141
  627   1HB   PRO  81          2HB       PRO  81 -10.743 -12.369  -7.993
  628   2HB   PRO  81          3HB       PRO  81 -10.930 -11.546  -6.412
  629   1HG   PRO  81          2HG       PRO  81 -12.474 -11.009  -8.970
  630   2HG   PRO  81          3HG       PRO  81 -13.131 -11.297  -7.321
  631   1HD   PRO  81          2HD       PRO  81 -12.795  -8.779  -8.273
  632   2HD   PRO  81          3HD       PRO  81 -12.402  -9.168  -6.567
  633    H    ASP  82           H        ASP  82 -10.255  -8.990 -10.082
  634    HA   ASP  82           HA       ASP  82  -9.111 -10.555 -12.103
  635   1HB   ASP  82          2HB       ASP  82  -9.117  -7.546 -11.623
  636   2HB   ASP  82          3HB       ASP  82  -8.608  -8.302 -13.141
  637    H    ASP  83           H        ASP  83  -7.480  -7.960 -10.172
  638    HA   ASP  83           HA       ASP  83  -4.883  -9.088 -10.990
  639   1HB   ASP  83          2HB       ASP  83  -5.511  -6.618 -11.062
  640   2HB   ASP  83          3HB       ASP  83  -5.395  -6.632  -9.294
  641    H    ARG  84           H        ARG  84  -6.472 -10.656  -9.331
  642    HA   ARG  84           HA       ARG  84  -4.583 -10.969  -7.035
  643   1HB   ARG  84          2HB       ARG  84  -6.810 -10.213  -6.271
  644   2HB   ARG  84          3HB       ARG  84  -7.566 -11.582  -7.100
  645   1HG   ARG  84          2HG       ARG  84  -5.416 -12.419  -5.295
  646   2HG   ARG  84          3HG       ARG  84  -6.724 -11.554  -4.467
  647   1HD   ARG  84          2HD       ARG  84  -8.386 -13.106  -5.295
  648   2HD   ARG  84          3HD       ARG  84  -7.226 -13.832  -6.410
  649    HE   ARG  84           HE       ARG  84  -6.441 -15.155  -4.809
  650   1HH1  ARG  84          2HH       ARG  84  -8.166 -12.504  -3.218
  651   2HH1  ARG  84          1HH       ARG  84  -7.976 -13.090  -1.612
  652   1HH2  ARG  84          2HH       ARG  84  -6.148 -15.981  -2.644
  653   2HH2  ARG  84          1HH       ARG  84  -6.787 -15.137  -1.278
  654    H    SER  85           H        SER  85  -6.717 -12.604  -9.426
  655    HA   SER  85           HA       SER  85  -4.736 -14.775  -9.605
  656   1HB   SER  85          2HB       SER  85  -7.561 -15.208  -8.552
  657   2HB   SER  85          3HB       SER  85  -6.562 -16.515  -9.209
  658    HG   SER  85           HG       SER  85  -4.950 -15.732  -7.599
  659    H    LYS  86           H        LYS  86  -6.553 -12.648 -11.380
  660    HA   LYS  86           HA       LYS  86  -6.930 -14.652 -13.500
  661   1HB   LYS  86          2HB       LYS  86  -9.076 -13.385 -12.040
  662   2HB   LYS  86          3HB       LYS  86  -9.076 -12.772 -13.689
  663   1HG   LYS  86          2HG       LYS  86  -8.812 -15.204 -14.476
  664   2HG   LYS  86          3HG       LYS  86  -9.155 -15.687 -12.806
  665   1HD   LYS  86          2HD       LYS  86 -11.338 -14.493 -12.940
  666   2HD   LYS  86          3HD       LYS  86 -10.995 -14.050 -14.617
  667   1HE   LYS  86          2HE       LYS  86 -11.181 -16.907 -13.543
  668   2HE   LYS  86          3HE       LYS  86 -12.487 -16.053 -14.384
  669   1HZ   LYS  86          1HZ       LYS  86 -11.247 -17.507 -15.856
  670   2HZ   LYS  86          2HZ       LYS  86 -11.158 -15.943 -16.323
  671   3HZ   LYS  86          3HZ       LYS  86  -9.863 -16.654 -15.592
  672    H    LEU  87           H        LEU  87  -5.043 -13.912 -14.330
  673    HA   LEU  87           HA       LEU  87  -5.204 -11.266 -15.691
  674   1HB   LEU  87          2HB       LEU  87  -2.829 -12.545 -14.278
  675   2HB   LEU  87          3HB       LEU  87  -2.711 -11.102 -15.288
  676    HG   LEU  87           HG       LEU  87  -4.526 -11.259 -12.835
  677   1HD1  LEU  87          1HD       LEU  87  -2.761 -10.082 -11.637
  678   2HD1  LEU  87          2HD       LEU  87  -2.115 -11.605 -12.255
  679   3HD1  LEU  87          3HD       LEU  87  -1.726 -10.069 -13.073
  680   1HD2  LEU  87          1HD       LEU  87  -3.520  -8.981 -14.615
  681   2HD2  LEU  87          2HD       LEU  87  -5.211  -9.494 -14.352
  682   3HD2  LEU  87          3HD       LEU  87  -4.297  -8.729 -13.051
  683    H    SER  88           H        SER  88  -3.208 -11.368 -17.383
  684    HA   SER  88           HA       SER  88  -2.521 -12.113 -19.370
  685   1HB   SER  88          2HB       SER  88  -1.465 -13.909 -18.045
  686   2HB   SER  88          3HB       SER  88  -2.919 -14.896 -18.229
  687    HG   SER  88           HG       SER  88  -1.078 -14.068 -20.205
  688    H    LYS  89           H        LYS  89  -5.008 -14.662 -18.707
  689    HA   LYS  89           HA       LYS  89  -6.706 -13.369 -20.756
  690   1HB   LYS  89          2HB       LYS  89  -5.213 -15.457 -21.572
  691   2HB   LYS  89          3HB       LYS  89  -6.504 -16.373 -20.829
  692   1HG   LYS  89          2HG       LYS  89  -7.320 -16.119 -22.986
  693   2HG   LYS  89          3HG       LYS  89  -8.098 -14.748 -22.195
  694   1HD   LYS  89          2HD       LYS  89  -5.476 -13.906 -23.130
  695   2HD   LYS  89          3HD       LYS  89  -6.278 -14.791 -24.433
  696   1HE   LYS  89          2HE       LYS  89  -8.294 -13.311 -24.113
  697   2HE   LYS  89          3HE       LYS  89  -7.365 -12.384 -22.918
  698   1HZ   LYS  89          1HZ       LYS  89  -7.248 -11.362 -25.078
  699   2HZ   LYS  89          2HZ       LYS  89  -5.754 -11.908 -24.655
  700   3HZ   LYS  89          3HZ       LYS  89  -6.653 -12.735 -25.760
  701    HA   PRO  90           HA       PRO  90  -8.723 -14.545 -16.801
  702   1HB   PRO  90          2HB       PRO  90 -10.143 -12.207 -16.348
  703   2HB   PRO  90          3HB       PRO  90  -8.452 -12.511 -15.885
  704   1HG   PRO  90          2HG       PRO  90  -9.467 -11.046 -18.316
  705   2HG   PRO  90          3HG       PRO  90  -8.156 -10.568 -17.186
  706   1HD   PRO  90          2HD       PRO  90  -7.651 -11.786 -19.582
  707   2HD   PRO  90          3HD       PRO  90  -6.651 -12.103 -18.133
  708    H    MET  91           H        MET  91  -9.819 -14.749 -19.853
  709    HA   MET  91           HA       MET  91 -12.659 -14.979 -19.127
  710   1HB   MET  91          2HB       MET  91 -12.143 -12.671 -20.004
  711   2HB   MET  91          3HB       MET  91 -11.602 -13.411 -21.520
  712   1HG   MET  91          2HG       MET  91 -13.772 -14.112 -22.073
  713   2HG   MET  91          3HG       MET  91 -14.357 -13.975 -20.409
  714   1HE   MET  91          1HE       MET  91 -12.699 -11.751 -23.232
  715   2HE   MET  91          2HE       MET  91 -13.294 -10.135 -22.779
  716   3HE   MET  91          3HE       MET  91 -12.150 -10.981 -21.720
  717    H    GLU  92           H        GLU  92 -13.749 -16.054 -21.255
  718    HA   GLU  92           HA       GLU  92 -11.851 -18.218 -22.030
  719   1HB   GLU  92          2HB       GLU  92 -13.677 -18.729 -20.397
  720   2HB   GLU  92          3HB       GLU  92 -14.861 -18.452 -21.680
  721   1HG   GLU  92          2HG       GLU  92 -14.086 -20.312 -22.948
  722   2HG   GLU  92          3HG       GLU  92 -12.528 -20.352 -22.111
  723    H    THR  93           H        THR  93 -14.930 -16.755 -23.241
  724    HA   THR  93           HA       THR  93 -15.634 -16.337 -25.384
  725    HB   THR  93           HB       THR  93 -13.902 -14.897 -26.648
  726    HG1  THR  93          1HG       THR  93 -12.181 -15.897 -25.326
  727   1HG2  THR  93          1HG       THR  93 -15.655 -13.837 -25.431
  728   2HG2  THR  93          2HG       THR  93 -14.953 -14.280 -23.865
  729   3HG2  THR  93          3HG       THR  93 -14.150 -13.069 -24.887
  730    H    LEU  94           H        LEU  94 -15.758 -18.640 -25.807
  731    HA   LEU  94           HA       LEU  94 -13.920 -20.014 -27.537
  732   1HB   LEU  94          2HB       LEU  94 -15.966 -20.953 -26.201
  733   2HB   LEU  94          3HB       LEU  94 -16.954 -20.219 -27.472
  734    HG   LEU  94           HG       LEU  94 -15.241 -21.618 -29.053
  735   1HD1  LEU  94          1HD       LEU  94 -13.959 -22.464 -27.088
  736   2HD1  LEU  94          2HD       LEU  94 -15.433 -23.255 -26.486
  737   3HD1  LEU  94          3HD       LEU  94 -14.707 -23.774 -28.022
  738   1HD2  LEU  94          1HD       LEU  94 -17.659 -22.766 -27.603
  739   2HD2  LEU  94          2HD       LEU  94 -17.670 -21.814 -29.107
  740   3HD2  LEU  94          3HD       LEU  94 -16.932 -23.423 -29.089
  741    HHA  HEM  95          MHG       HEM  95  11.890  -0.314   8.229
  742    HHB  HEM  95          MHD       HEM  95   5.552  -0.094   9.311
  743    HHC  HEM  95          MHA       HEM  95   4.494  -1.027   3.023
  744    HHD  HEM  95          MHB       HEM  95  10.780  -0.009   1.889
  745   1HMA  HEM  95          1HM       HEM  95   8.219  -0.419  12.050
  746   2HMA  HEM  95          2HM       HEM  95   7.205   0.885  11.409
  747   3HMA  HEM  95          3HM       HEM  95   6.689  -0.805  11.271
  748   1HAA  HEM  95          1HP       HEM  95  10.350  -0.428  11.665
  749   2HAA  HEM  95          2HP       HEM  95  11.541  -0.094  10.428
  750   1HBA  HEM  95          3HP       HEM  95  11.219  -2.481   9.591
  751   2HBA  HEM  95          4HP       HEM  95  10.225  -2.763  11.027
  752   1HMB  HEM  95          1HM       HEM  95   2.110  -0.190   7.638
  753   2HMB  HEM  95          2HM       HEM  95   3.178  -1.076   8.736
  754   3HMB  HEM  95          3HM       HEM  95   3.325   0.682   8.613
  755    HAB  HEM  95          AHT       HEM  95   2.205  -0.113   4.376
  756   1HBB  HEM  95          CHV       HEM  95   2.206  -2.723   5.962
  757   2HBB  HEM  95          THV       HEM  95   0.828  -2.036   4.903
  758   1HMC  HEM  95          1HM       HEM  95   5.051  -1.881   1.016
  759   2HMC  HEM  95          2HM       HEM  95   5.354  -0.411   0.062
  760   3HMC  HEM  95          3HM       HEM  95   6.338  -1.880  -0.185
  761    HAC  HEM  95          AHT       HEM  95   9.802  -1.062  -0.022
  762   1HBC  HEM  95          THV       HEM  95   8.890  -0.075  -2.029
  763   2HBC  HEM  95          CHV       HEM  95   7.376   0.478  -1.093
  764   1HMD  HEM  95          1HM       HEM  95  13.162   1.026   2.573
  765   2HMD  HEM  95          2HM       HEM  95  14.250  -0.047   3.473
  766   3HMD  HEM  95          3HM       HEM  95  13.049  -0.738   2.376
  767   1HAD  HEM  95          1HP       HEM  95  14.502  -0.664   5.654
  768   2HAD  HEM  95          2HP       HEM  95  13.803  -0.314   7.220
  769   1HBD  HEM  95          3HP       HEM  95  13.737   2.104   6.678
  770   2HBD  HEM  95          4HP       HEM  95  14.463   1.778   5.100
  Start of MODEL   31
    1   1H    ASP   1           H1       ASP   1 -14.752  -8.120  11.702
    2   2H    ASP   1           H2       ASP   1 -13.645  -9.273  11.397
    3   3H    ASP   1           H3       ASP   1 -13.165  -7.871  12.145
    4    HA   ASP   1           HA       ASP   1 -13.355  -6.637  10.185
    5   1HB   ASP   1          2HB       ASP   1 -11.834  -9.035  10.317
    6   2HB   ASP   1          3HB       ASP   1 -12.560  -9.066   8.718
    7    H    LYS   2           H        LYS   2 -15.229  -6.066   8.784
    8    HA   LYS   2           HA       LYS   2 -17.025  -8.387   8.263
    9   1HB   LYS   2          2HB       LYS   2 -17.612  -6.888  10.355
   10   2HB   LYS   2          3HB       LYS   2 -18.263  -5.774   9.152
   11   1HG   LYS   2          2HG       LYS   2 -19.936  -7.260   8.474
   12   2HG   LYS   2          3HG       LYS   2 -19.034  -8.695   8.974
   13   1HD   LYS   2          2HD       LYS   2 -19.604  -8.530  11.186
   14   2HD   LYS   2          3HD       LYS   2 -19.885  -6.777  11.129
   15   1HE   LYS   2          2HE       LYS   2 -21.974  -7.022  10.013
   16   2HE   LYS   2          3HE       LYS   2 -21.662  -8.720   9.619
   17   1HZ   LYS   2          1HZ       LYS   2 -23.178  -8.575  11.438
   18   2HZ   LYS   2          2HZ       LYS   2 -21.767  -9.197  12.002
   19   3HZ   LYS   2          3HZ       LYS   2 -22.161  -7.629  12.318
   20    H    ASP   3           H        ASP   3 -17.062  -4.817   7.564
   21    HA   ASP   3           HA       ASP   3 -17.358  -5.582   4.710
   22   1HB   ASP   3          2HB       ASP   3 -18.224  -3.314   4.389
   23   2HB   ASP   3          3HB       ASP   3 -19.193  -4.212   5.558
   24    H    VAL   4           H        VAL   4 -16.091  -4.164   3.226
   25    HA   VAL   4           HA       VAL   4 -13.621  -3.087   4.403
   26    HB   VAL   4           HB       VAL   4 -13.584  -4.745   1.876
   27   1HG1  VAL   4          1HG       VAL   4 -11.270  -4.448   3.739
   28   2HG1  VAL   4          2HG       VAL   4 -11.313  -4.536   1.964
   29   3HG1  VAL   4          3HG       VAL   4 -11.737  -3.028   2.810
   30   1HG2  VAL   4          1HG       VAL   4 -13.438  -5.787   4.693
   31   2HG2  VAL   4          2HG       VAL   4 -14.192  -6.493   3.252
   32   3HG2  VAL   4          3HG       VAL   4 -12.432  -6.515   3.426
   33    H    LYS   5           H        LYS   5 -13.153  -2.941   1.279
   34    HA   LYS   5           HA       LYS   5 -15.111  -0.786   0.732
   35   1HB   LYS   5          2HB       LYS   5 -12.779   0.003   1.739
   36   2HB   LYS   5          3HB       LYS   5 -12.247  -0.258   0.063
   37   1HG   LYS   5          2HG       LYS   5 -13.041   1.746  -0.465
   38   2HG   LYS   5          3HG       LYS   5 -14.652   1.130  -0.237
   39   1HD   LYS   5          2HD       LYS   5 -14.827   2.824   1.232
   40   2HD   LYS   5          3HD       LYS   5 -14.008   1.744   2.369
   41   1HE   LYS   5          2HE       LYS   5 -11.870   2.782   1.940
   42   2HE   LYS   5          3HE       LYS   5 -12.482   3.578   0.482
   43   1HZ   LYS   5          1HZ       LYS   5 -13.366   4.210   3.216
   44   2HZ   LYS   5          2HZ       LYS   5 -12.328   5.117   2.313
   45   3HZ   LYS   5          3HZ       LYS   5 -13.891   4.935   1.834
   46    H    TYR   6           H        TYR   6 -12.547  -2.895  -0.511
   47    HA   TYR   6           HA       TYR   6 -12.031  -3.730  -2.484
   48   1HB   TYR   6          2HB       TYR   6 -15.022  -3.678  -2.780
   49   2HB   TYR   6          3HB       TYR   6 -13.887  -4.695  -3.663
   50    HD1  TYR   6           HD1      TYR   6 -15.717  -4.239  -0.528
   51    HD2  TYR   6           HD2      TYR   6 -12.623  -6.535  -2.487
   52    HE1  TYR   6           HE1      TYR   6 -15.915  -6.014   1.211
   53    HE2  TYR   6           HE2      TYR   6 -12.795  -8.266  -0.768
   54    HH   TYR   6           HH       TYR   6 -13.772  -8.858   1.303
   55    H    TYR   7           H        TYR   7 -10.781  -2.245  -3.843
   56    HA   TYR   7           HA       TYR   7 -12.384  -0.339  -5.383
   57   1HB   TYR   7          2HB       TYR   7  -9.711  -0.344  -3.988
   58   2HB   TYR   7          3HB       TYR   7  -9.836   0.512  -5.467
   59    HD1  TYR   7           HD1      TYR   7 -10.136   0.872  -2.054
   60    HD2  TYR   7           HD2      TYR   7 -12.164   2.002  -5.664
   61    HE1  TYR   7           HE1      TYR   7 -11.046   2.868  -0.909
   62    HE2  TYR   7           HE2      TYR   7 -13.072   4.017  -4.547
   63    HH   TYR   7           HH       TYR   7 -11.905   5.135  -1.499
   64    H    THR   8           H        THR   8 -11.557   0.092  -7.538
   65    HA   THR   8           HA       THR   8 -10.943  -2.435  -8.885
   66    HB   THR   8           HB       THR   8 -11.476  -0.953 -10.891
   67    HG1  THR   8          1HG       THR   8 -12.243   1.096 -10.450
   68   1HG2  THR   8          1HG       THR   8 -13.937  -0.404  -9.741
   69   2HG2  THR   8          2HG       THR   8 -13.451  -1.996 -10.372
   70   3HG2  THR   8          3HG       THR   8 -13.303  -1.629  -8.645
   71    H    LEU   9           H        LEU   9  -9.021  -2.739 -10.001
   72    HA   LEU   9           HA       LEU   9  -6.696  -1.643  -9.194
   73   1HB   LEU   9          2HB       LEU   9  -7.100  -2.449 -12.093
   74   2HB   LEU   9          3HB       LEU   9  -5.590  -2.342 -11.202
   75    HG   LEU   9           HG       LEU   9  -6.017  -4.593 -11.215
   76   1HD1  LEU   9          1HD       LEU   9  -5.498  -3.865  -8.935
   77   2HD1  LEU   9          2HD       LEU   9  -7.234  -3.695  -8.568
   78   3HD1  LEU   9          3HD       LEU   9  -6.556  -5.286  -8.942
   79   1HD2  LEU   9          1HD       LEU   9  -8.008  -5.326 -11.836
   80   2HD2  LEU   9          2HD       LEU   9  -8.621  -5.061 -10.183
   81   3HD2  LEU   9          3HD       LEU   9  -8.791  -3.826 -11.466
   82    H    GLU  10           H        GLU  10  -8.535  -0.382 -11.976
   83    HA   GLU  10           HA       GLU  10  -6.913   1.732 -12.765
   84   1HB   GLU  10          2HB       GLU  10  -9.775   1.015 -12.923
   85   2HB   GLU  10          3HB       GLU  10  -9.508   2.761 -12.911
   86   1HG   GLU  10          2HG       GLU  10  -7.891   2.566 -14.756
   87   2HG   GLU  10          3HG       GLU  10  -8.104   0.807 -14.777
   88    H    GLU  11           H        GLU  11  -9.329   1.777 -10.066
   89    HA   GLU  11           HA       GLU  11  -8.851   4.499  -9.364
   90   1HB   GLU  11          2HB       GLU  11 -10.849   3.262  -8.604
   91   2HB   GLU  11          3HB       GLU  11  -9.832   2.136  -7.700
   92   1HG   GLU  11          2HG       GLU  11 -10.729   3.697  -6.165
   93   2HG   GLU  11          3HG       GLU  11  -9.016   3.976  -6.267
   94    H    ILE  12           H        ILE  12  -7.430   1.389  -8.015
   95    HA   ILE  12           HA       ILE  12  -5.741   2.781  -6.234
   96    HB   ILE  12           HB       ILE  12  -5.320   0.115  -7.627
   97   1HG1  ILE  12          2HG       ILE  12  -5.993  -0.142  -4.873
   98   2HG1  ILE  12          3HG       ILE  12  -7.060   1.074  -5.480
   99   1HG2  ILE  12          1HG       ILE  12  -3.653   1.610  -5.690
  100   2HG2  ILE  12          2HG       ILE  12  -3.966  -0.046  -5.198
  101   3HG2  ILE  12          3HG       ILE  12  -3.246   0.244  -6.776
  102   1HD1  ILE  12          1HD       ILE  12  -8.189  -0.437  -6.782
  103   2HD1  ILE  12          2HD       ILE  12  -6.758  -1.466  -7.085
  104   3HD1  ILE  12          3HD       ILE  12  -7.647  -1.560  -5.577
  105    H    LYS  13           H        LYS  13  -5.486   2.361  -9.693
  106    HA   LYS  13           HA       LYS  13  -2.724   3.422  -9.812
  107   1HB   LYS  13          2HB       LYS  13  -4.656   2.283 -11.862
  108   2HB   LYS  13          3HB       LYS  13  -3.109   3.008 -12.308
  109   1HG   LYS  13          2HG       LYS  13  -1.923   1.213 -11.696
  110   2HG   LYS  13          3HG       LYS  13  -2.659   1.180 -10.110
  111   1HD   LYS  13          2HD       LYS  13  -3.722  -0.683 -10.592
  112   2HD   LYS  13          3HD       LYS  13  -4.626   0.119 -11.887
  113   1HE   LYS  13          2HE       LYS  13  -3.444  -0.766 -13.536
  114   2HE   LYS  13          3HE       LYS  13  -1.897  -0.561 -12.699
  115   1HZ   LYS  13          1HZ       LYS  13  -2.418  -2.511 -11.383
  116   2HZ   LYS  13          2HZ       LYS  13  -3.832  -2.738 -12.197
  117   3HZ   LYS  13          3HZ       LYS  13  -2.402  -2.876 -12.986
  118    H    LYS  14           H        LYS  14  -5.165   4.994  -8.885
  119    HA   LYS  14           HA       LYS  14  -4.808   7.309 -10.721
  120   1HB   LYS  14          2HB       LYS  14  -7.124   6.163 -10.594
  121   2HB   LYS  14          3HB       LYS  14  -7.170   6.743  -8.924
  122   1HG   LYS  14          2HG       LYS  14  -6.559   9.090 -10.154
  123   2HG   LYS  14          3HG       LYS  14  -7.298   8.284 -11.520
  124   1HD   LYS  14          2HD       LYS  14  -9.398   8.213 -10.512
  125   2HD   LYS  14          3HD       LYS  14  -8.741   8.216  -8.863
  126   1HE   LYS  14          2HE       LYS  14  -8.303  10.433  -8.773
  127   2HE   LYS  14          3HE       LYS  14  -8.219  10.642 -10.530
  128   1HZ   LYS  14          1HZ       LYS  14 -10.301  11.403  -9.190
  129   2HZ   LYS  14          2HZ       LYS  14 -10.470  10.739 -10.690
  130   3HZ   LYS  14          3HZ       LYS  14 -10.751   9.825  -9.346
  131    H    HIS  15           H        HIS  15  -3.298   6.267  -8.217
  132    HA   HIS  15           HA       HIS  15  -3.485   8.840  -6.737
  133   1HB   HIS  15          2HB       HIS  15  -2.893   6.132  -5.536
  134   2HB   HIS  15          3HB       HIS  15  -2.959   7.718  -4.739
  135    HD1  HIS  15           HD1      HIS  15  -5.447   8.762  -4.381
  136    HD2  HIS  15           HD2      HIS  15  -5.231   4.933  -6.078
  137    HE1  HIS  15           HE1      HIS  15  -7.816   7.766  -4.266
  138    H    ASN  16           H        ASN  16  -1.087   7.237  -5.304
  139    HA   ASN  16           HA       ASN  16   1.184   7.190  -5.471
  140   1HB   ASN  16          2HB       ASN  16   2.120   6.551  -7.404
  141   2HB   ASN  16          3HB       ASN  16   0.586   6.739  -8.201
  142   1HD2  ASN  16          1HD       ASN  16   0.205   8.884  -9.321
  143   2HD2  ASN  16          2HD       ASN  16   1.568   9.847  -9.797
  144    H    HIS  17           H        HIS  17  -0.768   9.846  -5.779
  145    HA   HIS  17           HA       HIS  17   1.487  11.759  -5.960
  146   1HB   HIS  17          2HB       HIS  17  -1.525  12.051  -6.212
  147   2HB   HIS  17          3HB       HIS  17  -0.401  13.412  -6.184
  148    HD1  HIS  17           HD1      HIS  17   1.306  13.597  -8.330
  149    HD2  HIS  17           HD2      HIS  17  -1.741  10.688  -8.514
  150    HE1  HIS  17           HE1      HIS  17   1.180  12.823 -10.761
  151    H    SER  18           H        SER  18   1.497  13.430  -4.289
  152    HA   SER  18           HA       SER  18   1.133  12.496  -1.633
  153   1HB   SER  18          2HB       SER  18   1.691  15.240  -2.831
  154   2HB   SER  18          3HB       SER  18   1.836  14.845  -1.101
  155    HG   SER  18           HG       SER  18   3.354  13.214  -1.720
  156    H    LYS  19           H        LYS  19  -1.122  11.881  -1.924
  157    HA   LYS  19           HA       LYS  19  -2.863  13.817  -0.652
  158   1HB   LYS  19          2HB       LYS  19  -3.009  14.339  -3.165
  159   2HB   LYS  19          3HB       LYS  19  -3.714  12.745  -3.378
  160   1HG   LYS  19          2HG       LYS  19  -5.714  13.678  -2.982
  161   2HG   LYS  19          3HG       LYS  19  -5.258  13.846  -1.288
  162   1HD   LYS  19          2HD       LYS  19  -4.425  15.970  -3.289
  163   2HD   LYS  19          3HD       LYS  19  -6.083  15.929  -2.699
  164   1HE   LYS  19          2HE       LYS  19  -5.571  16.549  -0.588
  165   2HE   LYS  19          3HE       LYS  19  -4.012  15.715  -0.567
  166   1HZ   LYS  19          1HZ       LYS  19  -4.261  18.040  -2.294
  167   2HZ   LYS  19          2HZ       LYS  19  -4.164  18.301  -0.674
  168   3HZ   LYS  19          3HZ       LYS  19  -2.962  17.485  -1.446
  169    H    SER  20           H        SER  20  -2.619  10.680  -2.418
  170    HA   SER  20           HA       SER  20  -3.676   9.209  -0.096
  171   1HB   SER  20          2HB       SER  20  -5.137   9.608  -2.709
  172   2HB   SER  20          3HB       SER  20  -5.343   8.120  -1.776
  173    HG   SER  20           HG       SER  20  -6.851   9.896  -1.272
  174    H    THR  21           H        THR  21  -1.062   9.003  -0.865
  175    HA   THR  21           HA       THR  21  -0.330   7.287  -2.872
  176    HB   THR  21           HB       THR  21   0.720   7.627  -0.038
  177    HG1  THR  21          1HG       THR  21   2.109   9.047  -1.317
  178   1HG2  THR  21          1HG       THR  21   2.012   5.896  -0.547
  179   2HG2  THR  21          2HG       THR  21   1.681   5.965  -2.295
  180   3HG2  THR  21          3HG       THR  21   2.896   7.044  -1.566
  181    H    TRP  22           H        TRP  22  -1.738   5.611  -3.277
  182    HA   TRP  22           HA       TRP  22  -2.161   3.597  -1.165
  183   1HB   TRP  22          2HB       TRP  22  -3.259   4.005  -3.970
  184   2HB   TRP  22          3HB       TRP  22  -3.597   2.571  -3.005
  185    HD1  TRP  22           HD1      TRP  22  -3.523   5.513  -0.774
  186    HE1  TRP  22           HE1      TRP  22  -5.834   6.299  -0.165
  187    HE3  TRP  22           HE3      TRP  22  -6.118   2.732  -4.134
  188    HZ2  TRP  22           HZ2      TRP  22  -8.538   5.976  -1.234
  189    HZ3  TRP  22           HZ3      TRP  22  -8.567   2.983  -4.354
  190    HH2  TRP  22           HH2      TRP  22  -9.773   4.675  -2.987
  191    H    LEU  23           H        LEU  23  -1.916   1.278  -2.003
  192    HA   LEU  23           HA       LEU  23  -0.110   0.727  -4.172
  193   1HB   LEU  23          2HB       LEU  23   1.703  -0.222  -2.701
  194   2HB   LEU  23          3HB       LEU  23   1.595   1.520  -2.760
  195    HG   LEU  23           HG       LEU  23   0.227   1.370  -0.536
  196   1HD1  LEU  23          1HD       LEU  23   1.530  -1.332  -0.680
  197   2HD1  LEU  23          2HD       LEU  23   0.857  -0.623   0.808
  198   3HD1  LEU  23          3HD       LEU  23  -0.197  -1.043  -0.562
  199   1HD2  LEU  23          1HD       LEU  23   2.150   2.245   0.067
  200   2HD2  LEU  23          2HD       LEU  23   2.774   0.609   0.410
  201   3HD2  LEU  23          3HD       LEU  23   3.078   1.378  -1.146
  202    H    ILE  24           H        ILE  24   0.499  -1.753  -3.982
  203    HA   ILE  24           HA       ILE  24  -1.958  -3.116  -3.024
  204    HB   ILE  24           HB       ILE  24  -0.180  -3.488  -5.513
  205   1HG1  ILE  24          2HG       ILE  24  -3.131  -2.960  -5.170
  206   2HG1  ILE  24          3HG       ILE  24  -1.943  -1.726  -5.523
  207   1HG2  ILE  24          1HG       ILE  24  -1.552  -5.439  -6.111
  208   2HG2  ILE  24          2HG       ILE  24  -0.618  -5.738  -4.672
  209   3HG2  ILE  24          3HG       ILE  24  -2.337  -5.375  -4.501
  210   1HD1  ILE  24          1HD       ILE  24  -2.383  -2.053  -7.685
  211   2HD1  ILE  24          2HD       ILE  24  -1.464  -3.560  -7.558
  212   3HD1  ILE  24          3HD       ILE  24  -3.238  -3.568  -7.386
  213    H    LEU  25           H        LEU  25  -0.835  -3.609  -1.001
  214    HA   LEU  25           HA       LEU  25   1.577  -5.321  -1.283
  215   1HB   LEU  25          2HB       LEU  25   0.554  -3.431   0.794
  216   2HB   LEU  25          3HB       LEU  25   1.354  -4.882   1.398
  217    HG   LEU  25           HG       LEU  25   2.581  -3.083  -0.702
  218   1HD1  LEU  25          1HD       LEU  25   3.054  -1.583   0.944
  219   2HD1  LEU  25          2HD       LEU  25   2.077  -2.509   2.085
  220   3HD1  LEU  25          3HD       LEU  25   3.798  -2.872   1.914
  221   1HD2  LEU  25          1HD       LEU  25   4.620  -4.155  -0.024
  222   2HD2  LEU  25          2HD       LEU  25   3.735  -5.137   1.191
  223   3HD2  LEU  25          3HD       LEU  25   3.414  -5.341  -0.530
  224    H    HIS  26           H        HIS  26   0.824  -7.335  -1.701
  225    HA   HIS  26           HA       HIS  26  -0.060  -9.353  -1.285
  226   1HB   HIS  26          2HB       HIS  26  -0.995  -8.333   1.423
  227   2HB   HIS  26          3HB       HIS  26  -0.753  -9.994   0.916
  228    HD1  HIS  26           HD1      HIS  26   1.802 -10.869   0.895
  229    HD2  HIS  26           HD2      HIS  26   1.160  -6.890   2.095
  230    HE1  HIS  26           HE1      HIS  26   3.980 -10.063   1.978
  231    H    HIS  27           H        HIS  27  -1.512  -8.353  -3.006
  232    HA   HIS  27           HA       HIS  27  -3.534  -7.793  -3.900
  233   1HB   HIS  27          2HB       HIS  27  -4.694 -10.104  -2.349
  234   2HB   HIS  27          3HB       HIS  27  -4.966  -9.635  -4.016
  235    HD1  HIS  27           HD1      HIS  27  -4.101 -12.559  -2.805
  236    HD2  HIS  27           HD2      HIS  27  -1.649  -9.748  -4.752
  237    HE1  HIS  27           HE1      HIS  27  -2.105 -13.851  -3.756
  238    H    LYS  28           H        LYS  28  -3.240  -6.019  -1.916
  239    HA   LYS  28           HA       LYS  28  -5.924  -5.692  -0.758
  240   1HB   LYS  28          2HB       LYS  28  -3.302  -5.972   0.736
  241   2HB   LYS  28          3HB       LYS  28  -4.572  -4.967   1.390
  242   1HG   LYS  28          2HG       LYS  28  -4.989  -7.917   0.707
  243   2HG   LYS  28          3HG       LYS  28  -4.421  -7.344   2.270
  244   1HD   LYS  28          2HD       LYS  28  -6.660  -5.740   1.796
  245   2HD   LYS  28          3HD       LYS  28  -7.116  -7.287   1.091
  246   1HE   LYS  28          2HE       LYS  28  -5.926  -7.112   3.865
  247   2HE   LYS  28          3HE       LYS  28  -7.658  -6.892   3.560
  248   1HZ   LYS  28          1HZ       LYS  28  -6.053  -9.304   3.271
  249   2HZ   LYS  28          2HZ       LYS  28  -7.559  -9.108   3.918
  250   3HZ   LYS  28          3HZ       LYS  28  -7.354  -9.109   2.284
  251    H    VAL  29           H        VAL  29  -6.231  -3.265  -0.197
  252    HA   VAL  29           HA       VAL  29  -4.321  -1.665  -1.775
  253    HB   VAL  29           HB       VAL  29  -7.203  -1.564  -1.034
  254   1HG1  VAL  29          1HG       VAL  29  -5.802   0.512  -2.690
  255   2HG1  VAL  29          2HG       VAL  29  -7.507   0.474  -2.156
  256   3HG1  VAL  29          3HG       VAL  29  -6.198   0.688  -0.974
  257   1HG2  VAL  29          1HG       VAL  29  -7.562  -1.327  -3.484
  258   2HG2  VAL  29          2HG       VAL  29  -5.908  -1.999  -3.645
  259   3HG2  VAL  29          3HG       VAL  29  -7.197  -2.919  -2.826
  260    H    TYR  30           H        TYR  30  -2.896  -0.872  -0.287
  261    HA   TYR  30           HA       TYR  30  -3.937  -0.012   2.357
  262   1HB   TYR  30          2HB       TYR  30  -1.297  -0.913   1.209
  263   2HB   TYR  30          3HB       TYR  30  -1.399  -0.062   2.707
  264    HD1  TYR  30           HD1      TYR  30  -1.452  -3.295   1.184
  265    HD2  TYR  30           HD2      TYR  30  -2.997  -1.090   4.513
  266    HE1  TYR  30           HE1      TYR  30  -1.648  -5.414   2.520
  267    HE2  TYR  30           HE2      TYR  30  -3.453  -3.251   5.695
  268    HH   TYR  30           HH       TYR  30  -3.386  -5.555   5.561
  269    H    ASP  31           H        ASP  31  -3.492   2.129   2.973
  270    HA   ASP  31           HA       ASP  31  -2.531   4.027   0.914
  271   1HB   ASP  31          2HB       ASP  31  -4.979   4.120   1.232
  272   2HB   ASP  31          3HB       ASP  31  -4.735   4.391   2.973
  273    H    LEU  32           H        LEU  32  -0.651   4.698   1.638
  274    HA   LEU  32           HA       LEU  32  -0.327   5.072   4.576
  275   1HB   LEU  32          2HB       LEU  32   2.216   4.695   3.263
  276   2HB   LEU  32          3HB       LEU  32   1.464   3.852   4.626
  277    HG   LEU  32           HG       LEU  32   0.921   3.086   1.758
  278   1HD1  LEU  32          1HD       LEU  32   3.108   2.516   1.950
  279   2HD1  LEU  32          2HD       LEU  32   3.045   2.232   3.722
  280   3HD1  LEU  32          3HD       LEU  32   2.377   1.079   2.539
  281   1HD2  LEU  32          1HD       LEU  32  -0.113   2.328   4.379
  282   2HD2  LEU  32          2HD       LEU  32  -0.730   1.970   2.773
  283   3HD2  LEU  32          3HD       LEU  32   0.501   0.921   3.499
  284    H    THR  33           H        THR  33  -1.372   6.894   2.441
  285    HA   THR  33           HA       THR  33   0.478   8.937   1.799
  286    HB   THR  33           HB       THR  33  -2.294   8.610   1.578
  287    HG1  THR  33          1HG       THR  33  -2.008  10.633   0.499
  288   1HG2  THR  33          1HG       THR  33  -2.681   9.930   3.631
  289   2HG2  THR  33          2HG       THR  33  -1.637  11.211   2.912
  290   3HG2  THR  33          3HG       THR  33  -3.203  10.758   2.187
  291    H    LYS  34           H        LYS  34  -1.436   8.635   4.827
  292    HA   LYS  34           HA       LYS  34   0.001  10.984   5.832
  293   1HB   LYS  34          2HB       LYS  34  -2.530   9.934   6.247
  294   2HB   LYS  34          3HB       LYS  34  -1.714   9.441   7.728
  295   1HG   LYS  34          2HG       LYS  34  -1.424  12.292   6.719
  296   2HG   LYS  34          3HG       LYS  34  -2.944  11.805   7.466
  297   1HD   LYS  34          2HD       LYS  34  -1.827  11.144   9.521
  298   2HD   LYS  34          3HD       LYS  34  -0.240  11.400   8.786
  299   1HE   LYS  34          2HE       LYS  34  -1.386  13.863   8.388
  300   2HE   LYS  34          3HE       LYS  34  -2.178  13.362   9.890
  301   1HZ   LYS  34          1HZ       LYS  34   0.293  12.745  10.483
  302   2HZ   LYS  34          2HZ       LYS  34   0.637  13.901   9.371
  303   3HZ   LYS  34          3HZ       LYS  34  -0.268  14.280  10.695
  304    H    PHE  35           H        PHE  35   0.782   7.781   5.497
  305    HA   PHE  35           HA       PHE  35   2.283   7.511   7.997
  306   1HB   PHE  35          2HB       PHE  35   0.876   5.668   7.210
  307   2HB   PHE  35          3HB       PHE  35   1.670   5.691   5.669
  308    HD1  PHE  35          1HD       PHE  35   2.589   5.282   9.276
  309    HD2  PHE  35          2HD       PHE  35   3.459   4.203   5.203
  310    HE1  PHE  35          1HE       PHE  35   4.289   3.661  10.060
  311    HE2  PHE  35          2HE       PHE  35   4.979   2.445   5.959
  312    HZ   PHE  35           HZ       PHE  35   5.451   2.211   8.439
  313    H    LEU  36           H        LEU  36   2.575   8.503   4.678
  314    HA   LEU  36           HA       LEU  36   5.121   7.697   4.025
  315   1HB   LEU  36          2HB       LEU  36   3.497  10.204   3.518
  316   2HB   LEU  36          3HB       LEU  36   5.183  10.168   3.039
  317    HG   LEU  36           HG       LEU  36   2.843   8.597   2.018
  318   1HD1  LEU  36          1HD       LEU  36   5.143   9.800   0.485
  319   2HD1  LEU  36          2HD       LEU  36   3.477   9.498  -0.034
  320   3HD1  LEU  36          3HD       LEU  36   3.813  10.794   1.131
  321   1HD2  LEU  36          1HD       LEU  36   5.685   7.614   1.919
  322   2HD2  LEU  36          2HD       LEU  36   4.182   6.708   2.209
  323   3HD2  LEU  36          3HD       LEU  36   4.573   7.319   0.585
  324    H    GLU  37           H        GLU  37   4.278  10.372   6.225
  325    HA   GLU  37           HA       GLU  37   7.131  10.772   6.858
  326   1HB   GLU  37          2HB       GLU  37   4.528  12.158   7.550
  327   2HB   GLU  37          3HB       GLU  37   5.990  12.550   8.444
  328   1HG   GLU  37          2HG       GLU  37   6.235  12.527   5.450
  329   2HG   GLU  37          3HG       GLU  37   5.240  13.802   6.144
  330    H    GLU  38           H        GLU  38   5.488   8.291   7.651
  331    HA   GLU  38           HA       GLU  38   6.168   8.274  10.565
  332   1HB   GLU  38          2HB       GLU  38   3.947   7.021   8.998
  333   2HB   GLU  38          3HB       GLU  38   4.480   6.275  10.489
  334   1HG   GLU  38          2HG       GLU  38   4.027   8.522  11.617
  335   2HG   GLU  38          3HG       GLU  38   3.131   8.948  10.138
  336    H    HIS  39           HN       HIS  39   6.582   6.680   7.491
  337    HA   HIS  39           HA       HIS  39   7.306   4.173   8.409
  338   1HB   HIS  39          2HB       HIS  39   7.156   5.403   5.948
  339   2HB   HIS  39          3HB       HIS  39   8.880   5.392   6.202
  340    HD1  HIS  39           HND      HIS  39   8.871   3.999   3.949
  341    HD2  HIS  39           HD       HIS  39   7.338   2.057   7.325
  342    HE1  HIS  39           HE       HIS  39   9.300   1.577   3.593
  343    HA   PRO  40           HA       PRO  40  11.107   4.963  10.586
  344   1HB   PRO  40          2HB       PRO  40  12.552   2.620  10.224
  345   2HB   PRO  40          3HB       PRO  40  11.056   2.766  11.176
  346   1HG   PRO  40          2HG       PRO  40  11.424   1.570   8.461
  347   2HG   PRO  40          3HG       PRO  40  10.156   1.296   9.707
  348   1HD   PRO  40          2HD       PRO  40   9.955   2.861   7.406
  349   2HD   PRO  40          3HD       PRO  40   8.760   2.615   8.755
  350    H    GLY  41           H        GLY  41  11.278   6.507   8.436
  351   1HA   GLY  41          2HA       GLY  41  12.978   7.629   7.347
  352   2HA   GLY  41          3HA       GLY  41  13.979   6.176   7.334
  353    H    GLY  42           H        GLY  42  10.948   4.622   6.163
  354   1HA   GLY  42          2HA       GLY  42  11.945   5.472   3.516
  355   2HA   GLY  42          3HA       GLY  42  10.673   4.355   3.848
  356    H    GLU  43           H        GLU  43  10.080   6.026   1.977
  357    HA   GLU  43           HA       GLU  43   7.646   7.123   2.716
  358   1HB   GLU  43          2HB       GLU  43   8.668   8.996   3.741
  359   2HB   GLU  43          3HB       GLU  43   9.840   9.212   2.445
  360   1HG   GLU  43          2HG       GLU  43   6.973   9.348   1.645
  361   2HG   GLU  43          3HG       GLU  43   7.472  10.601   2.768
  362    H    GLU  44           H        GLU  44  10.464   7.914   0.683
  363    HA   GLU  44           HA       GLU  44   8.867   8.207  -1.712
  364   1HB   GLU  44          2HB       GLU  44  11.073   9.214  -1.548
  365   2HB   GLU  44          3HB       GLU  44  11.843   7.606  -1.517
  366   1HG   GLU  44          2HG       GLU  44  10.800   7.177  -3.821
  367   2HG   GLU  44          3HG       GLU  44  10.254   8.850  -3.820
  368    H    VAL  45           H        VAL  45  10.827   5.429  -0.440
  369    HA   VAL  45           HA       VAL  45  10.382   3.683  -2.589
  370    HB   VAL  45           HB       VAL  45  10.177   1.925  -0.726
  371   1HG1  VAL  45          1HG       VAL  45  12.455   1.758  -0.591
  372   2HG1  VAL  45          2HG       VAL  45  12.306   2.858  -1.967
  373   3HG1  VAL  45          3HG       VAL  45  12.700   3.506  -0.364
  374   1HG2  VAL  45          1HG       VAL  45  11.118   4.116   1.138
  375   2HG2  VAL  45          2HG       VAL  45   9.403   3.728   0.974
  376   3HG2  VAL  45          3HG       VAL  45  10.541   2.481   1.516
  377    H    LEU  46           H        LEU  46   8.015   5.093  -0.537
  378    HA   LEU  46           HA       LEU  46   6.127   2.733  -1.051
  379   1HB   LEU  46          2HB       LEU  46   5.212   5.297   0.205
  380   2HB   LEU  46          3HB       LEU  46   4.530   3.676   0.307
  381    HG   LEU  46           HG       LEU  46   7.003   4.809   1.659
  382   1HD1  LEU  46          1HD       LEU  46   5.607   3.125   3.449
  383   2HD1  LEU  46          2HD       LEU  46   5.463   4.912   3.330
  384   3HD1  LEU  46          3HD       LEU  46   4.360   3.899   2.495
  385   1HD2  LEU  46          1HD       LEU  46   7.438   2.387   0.613
  386   2HD2  LEU  46          2HD       LEU  46   7.871   2.817   2.252
  387   3HD2  LEU  46          3HD       LEU  46   6.358   1.901   1.877
  388    H    ARG  47           H        ARG  47   6.912   5.891  -2.286
  389    HA   ARG  47           HA       ARG  47   4.628   5.960  -4.091
  390   1HB   ARG  47          2HB       ARG  47   5.744   7.975  -3.152
  391   2HB   ARG  47          3HB       ARG  47   7.223   7.553  -4.043
  392   1HG   ARG  47          2HG       ARG  47   6.168   7.841  -6.150
  393   2HG   ARG  47          3HG       ARG  47   4.538   7.859  -5.447
  394   1HD   ARG  47          2HD       ARG  47   4.748   9.996  -4.585
  395   2HD   ARG  47          3HD       ARG  47   6.509   9.922  -4.475
  396    HE   ARG  47           HE       ARG  47   4.878  10.643  -6.778
  397   1HH1  ARG  47          2HH       ARG  47   8.015   9.365  -5.758
  398   2HH1  ARG  47          1HH       ARG  47   8.886   9.853  -7.159
  399   1HH2  ARG  47          2HH       ARG  47   6.044  11.412  -8.655
  400   2HH2  ARG  47          1HH       ARG  47   7.729  11.069  -8.850
  401    H    GLU  48           H        GLU  48   7.934   4.616  -4.102
  402    HA   GLU  48           HA       GLU  48   8.078   4.388  -6.975
  403   1HB   GLU  48          2HB       GLU  48   9.660   3.491  -4.633
  404   2HB   GLU  48          3HB       GLU  48   9.613   2.289  -5.907
  405   1HG   GLU  48          2HG       GLU  48  10.111   4.633  -7.343
  406   2HG   GLU  48          3HG       GLU  48  10.981   4.910  -5.837
  407    H    GLN  49           H        GLN  49   6.326   2.626  -4.577
  408    HA   GLN  49           HA       GLN  49   5.566   0.601  -6.649
  409   1HB   GLN  49          2HB       GLN  49   5.603   0.424  -3.629
  410   2HB   GLN  49          3HB       GLN  49   5.183  -0.889  -4.766
  411   1HG   GLN  49          2HG       GLN  49   7.940   0.443  -4.616
  412   2HG   GLN  49          3HG       GLN  49   7.492  -1.035  -3.798
  413   1HE2  GLN  49          1HE       GLN  49   9.622  -1.232  -5.575
  414   2HE2  GLN  49          2HE       GLN  49   9.019  -2.279  -6.864
  415    H    ALA  50           H        ALA  50   4.537   3.386  -5.460
  416    HA   ALA  50           HA       ALA  50   2.014   2.959  -4.362
  417   1HB   ALA  50          1HB       ALA  50   3.177   5.153  -6.054
  418   2HB   ALA  50          2HB       ALA  50   1.440   5.144  -5.653
  419   3HB   ALA  50          3HB       ALA  50   2.642   5.189  -4.349
  420    H    GLY  51           H        GLY  51  -0.046   2.722  -5.188
  421   1HA   GLY  51          2HA       GLY  51  -1.603   1.631  -6.422
  422   2HA   GLY  51          3HA       GLY  51  -1.024   2.626  -7.761
  423    H    GLY  52           H        GLY  52   1.185   0.247  -6.201
  424   1HA   GLY  52          2HA       GLY  52   0.985  -1.597  -8.472
  425   2HA   GLY  52          3HA       GLY  52   2.468  -0.652  -8.168
  426    H    ASP  53           H        ASP  53   2.962  -3.298  -7.990
  427    HA   ASP  53           HA       ASP  53   2.094  -4.358  -5.461
  428   1HB   ASP  53          2HB       ASP  53   3.885  -6.160  -6.630
  429   2HB   ASP  53          3HB       ASP  53   2.127  -6.170  -6.727
  430    H    ALA  54           H        ALA  54   3.126  -3.502  -3.747
  431    HA   ALA  54           HA       ALA  54   6.057  -3.050  -4.007
  432   1HB   ALA  54          1HB       ALA  54   5.899  -1.616  -2.251
  433   2HB   ALA  54          2HB       ALA  54   4.237  -1.455  -2.858
  434   3HB   ALA  54          3HB       ALA  54   4.574  -2.492  -1.472
  435    H    THR  55           H        THR  55   4.113  -5.670  -3.276
  436    HA   THR  55           HA       THR  55   4.905  -6.636  -0.797
  437    HB   THR  55           HB       THR  55   4.224  -8.098  -3.393
  438    HG1  THR  55          1HG       THR  55   2.595  -6.642  -2.845
  439   1HG2  THR  55          1HG       THR  55   5.145  -9.538  -1.555
  440   2HG2  THR  55          2HG       THR  55   3.841  -8.920  -0.524
  441   3HG2  THR  55          3HG       THR  55   3.461  -9.891  -1.977
  442    H    GLU  56           H        GLU  56   6.475  -7.181  -3.996
  443    HA   GLU  56           HA       GLU  56   8.413  -9.009  -3.149
  444   1HB   GLU  56          2HB       GLU  56   9.792  -8.001  -4.982
  445   2HB   GLU  56          3HB       GLU  56   8.173  -8.505  -5.464
  446   1HG   GLU  56          2HG       GLU  56   7.360  -6.354  -5.740
  447   2HG   GLU  56          3HG       GLU  56   8.491  -5.624  -4.624
  448    H    ASN  57           H        ASN  57   8.282  -5.522  -2.651
  449    HA   ASN  57           HA       ASN  57  10.974  -5.244  -1.553
  450   1HB   ASN  57          2HB       ASN  57   8.826  -3.513  -2.433
  451   2HB   ASN  57          3HB       ASN  57   9.124  -3.158  -0.739
  452   1HD2  ASN  57          1HD       ASN  57  10.063  -2.454  -3.847
  453   2HD2  ASN  57          2HD       ASN  57  11.641  -1.747  -3.471
  454    H    PHE  58           H        PHE  58   7.650  -5.113  -0.423
  455    HA   PHE  58           HA       PHE  58   8.239  -4.975   2.410
  456   1HB   PHE  58          2HB       PHE  58   6.011  -4.883   1.339
  457   2HB   PHE  58          3HB       PHE  58   5.962  -6.649   1.345
  458    HD1  PHE  58          1HD       PHE  58   5.993  -7.839   3.641
  459    HD2  PHE  58          2HD       PHE  58   5.435  -3.586   3.228
  460    HE1  PHE  58          1HE       PHE  58   4.982  -7.742   5.897
  461    HE2  PHE  58          2HE       PHE  58   4.397  -3.496   5.472
  462    HZ   PHE  58           HZ       PHE  58   4.190  -5.563   6.826
  463    H    GLU  59           H        GLU  59   8.428  -7.870   0.389
  464    HA   GLU  59           HA       GLU  59   8.982  -9.624   2.698
  465   1HB   GLU  59          2HB       GLU  59   8.289  -9.887  -0.174
  466   2HB   GLU  59          3HB       GLU  59   9.534 -11.019   0.336
  467   1HG   GLU  59          2HG       GLU  59   6.977 -10.625   1.940
  468   2HG   GLU  59          3HG       GLU  59   7.059 -11.736   0.570
  469    H    ASP  60           H        ASP  60  10.718  -7.855   0.127
  470    HA   ASP  60           HA       ASP  60  13.204  -9.118   0.243
  471   1HB   ASP  60          2HB       ASP  60  12.282  -6.956  -1.111
  472   2HB   ASP  60          3HB       ASP  60  13.130  -6.096   0.155
  473    H    VAL  61           H        VAL  61  11.956  -6.344   2.140
  474    HA   VAL  61           HA       VAL  61  14.244  -6.453   3.741
  475    HB   VAL  61           HB       VAL  61  13.080  -4.350   3.535
  476   1HG1  VAL  61          1HG       VAL  61  10.883  -4.118   3.673
  477   2HG1  VAL  61          2HG       VAL  61  10.748  -5.867   3.865
  478   3HG1  VAL  61          3HG       VAL  61  10.828  -4.849   5.304
  479   1HG2  VAL  61          1HG       VAL  61  14.277  -4.313   5.603
  480   2HG2  VAL  61          2HG       VAL  61  12.672  -3.646   5.945
  481   3HG2  VAL  61          3HG       VAL  61  13.053  -5.294   6.433
  482    H    GLY  62           H        GLY  62  11.157  -8.078   3.888
  483   1HA   GLY  62          2HA       GLY  62  10.573  -9.943   5.126
  484   2HA   GLY  62          3HA       GLY  62  12.145  -9.876   5.950
  485    H    HIS  63           HN       HIS  63   9.405  -7.581   5.629
  486    HA   HIS  63           HA       HIS  63   9.897  -6.110   7.802
  487   1HB   HIS  63          2HB       HIS  63   7.380  -6.804   6.347
  488   2HB   HIS  63          3HB       HIS  63   7.158  -5.899   7.816
  489    HD1  HIS  63           HND      HIS  63   8.451  -5.528   4.350
  490    HD2  HIS  63           HD       HIS  63   7.861  -3.261   7.805
  491    HE1  HIS  63           HE       HIS  63   8.639  -3.144   3.622
  492    H    SER  64           H        SER  64   9.063  -5.825   9.916
  493    HA   SER  64           HA       SER  64   8.677  -8.231  11.483
  494   1HB   SER  64          2HB       SER  64   8.423  -5.270  12.165
  495   2HB   SER  64          3HB       SER  64   8.571  -6.599  13.335
  496    HG   SER  64           HG       SER  64  10.541  -6.678  11.447
  497    H    THR  65           H        THR  65   6.788  -8.424  13.056
  498    HA   THR  65           HA       THR  65   4.337  -8.349  11.662
  499    HB   THR  65           HB       THR  65   5.234  -8.917  14.498
  500    HG1  THR  65          1HG       THR  65   4.372 -10.540  12.343
  501   1HG2  THR  65          1HG       THR  65   3.124  -8.825  15.187
  502   2HG2  THR  65          2HG       THR  65   2.467  -8.608  13.554
  503   3HG2  THR  65          3HG       THR  65   2.806 -10.240  14.165
  504    H    ASP  66           H        ASP  66   5.712  -6.187  14.196
  505    HA   ASP  66           HA       ASP  66   3.440  -4.605  14.714
  506   1HB   ASP  66          2HB       ASP  66   6.424  -4.223  14.777
  507   2HB   ASP  66          3HB       ASP  66   5.445  -2.760  14.768
  508    H    ALA  67           H        ALA  67   5.650  -4.675  11.974
  509    HA   ALA  67           HA       ALA  67   4.691  -2.242  10.729
  510   1HB   ALA  67          1HB       ALA  67   6.301  -2.713   9.211
  511   2HB   ALA  67          2HB       ALA  67   6.879  -3.916  10.363
  512   3HB   ALA  67          3HB       ALA  67   5.832  -4.390   9.002
  513    H    ARG  68           H        ARG  68   4.183  -5.753  10.144
  514    HA   ARG  68           HA       ARG  68   2.367  -5.516   8.199
  515   1HB   ARG  68          2HB       ARG  68   3.225  -7.541   9.966
  516   2HB   ARG  68          3HB       ARG  68   1.473  -7.638  10.065
  517   1HG   ARG  68          2HG       ARG  68   1.224  -8.223   7.840
  518   2HG   ARG  68          3HG       ARG  68   2.674  -7.367   7.314
  519   1HD   ARG  68          2HD       ARG  68   3.973  -9.125   7.493
  520   2HD   ARG  68          3HD       ARG  68   3.465  -9.470   9.151
  521    HE   ARG  68           HE       ARG  68   1.348 -10.363   7.730
  522   1HH1  ARG  68          2HH       ARG  68   4.827 -10.960   7.492
  523   2HH1  ARG  68          1HH       ARG  68   4.685 -12.555   6.858
  524   1HH2  ARG  68          2HH       ARG  68   1.114 -12.519   6.921
  525   2HH2  ARG  68          1HH       ARG  68   2.506 -13.475   6.555
  526    H    GLU  69           H        GLU  69   1.886  -4.693  11.705
  527    HA   GLU  69           HA       GLU  69  -1.019  -4.803  11.732
  528   1HB   GLU  69          2HB       GLU  69   1.140  -4.041  13.673
  529   2HB   GLU  69          3HB       GLU  69  -0.388  -3.178  13.840
  530   1HG   GLU  69          2HG       GLU  69  -1.540  -5.460  13.699
  531   2HG   GLU  69          3HG       GLU  69   0.060  -6.158  14.008
  532    H    LEU  70           H        LEU  70   1.346  -1.984  11.725
  533    HA   LEU  70           HA       LEU  70  -0.559   0.050  11.496
  534   1HB   LEU  70          2HB       LEU  70   2.166  -0.479  10.336
  535   2HB   LEU  70          3HB       LEU  70   1.377   1.018  10.075
  536    HG   LEU  70           HG       LEU  70   1.557   0.162  12.914
  537   1HD1  LEU  70          1HD       LEU  70   3.956   0.033  11.260
  538   2HD1  LEU  70          2HD       LEU  70   4.136   1.289  12.476
  539   3HD1  LEU  70          3HD       LEU  70   3.717  -0.354  12.967
  540   1HD2  LEU  70          1HD       LEU  70   1.090   2.308  13.172
  541   2HD2  LEU  70          2HD       LEU  70   2.643   2.778  12.458
  542   3HD2  LEU  70          3HD       LEU  70   1.222   2.581  11.442
  543    H    SER  71           H        SER  71   0.728  -2.314   9.028
  544    HA   SER  71           HA       SER  71  -0.559  -1.082   6.911
  545   1HB   SER  71          2HB       SER  71  -1.081  -3.972   6.788
  546   2HB   SER  71          3HB       SER  71  -0.245  -2.931   5.641
  547    HG   SER  71           HG       SER  71   0.717  -4.052   8.029
  548    H    LYS  72           H        LYS  72  -2.105  -3.134   9.298
  549    HA   LYS  72           HA       LYS  72  -4.590  -3.391   7.986
  550   1HB   LYS  72          2HB       LYS  72  -3.514  -4.506  10.120
  551   2HB   LYS  72          3HB       LYS  72  -4.320  -3.213  11.010
  552   1HG   LYS  72          2HG       LYS  72  -5.751  -5.012   9.007
  553   2HG   LYS  72          3HG       LYS  72  -5.524  -5.489  10.688
  554   1HD   LYS  72          2HD       LYS  72  -7.235  -4.238  11.398
  555   2HD   LYS  72          3HD       LYS  72  -6.643  -2.793  10.584
  556   1HE   LYS  72          2HE       LYS  72  -7.600  -3.534   8.449
  557   2HE   LYS  72          3HE       LYS  72  -8.141  -5.059   9.189
  558   1HZ   LYS  72          1HZ       LYS  72  -9.650  -3.881  10.534
  559   2HZ   LYS  72          2HZ       LYS  72  -9.057  -2.402  10.060
  560   3HZ   LYS  72          3HZ       LYS  72  -9.879  -3.369   9.002
  561    H    THR  73           H        THR  73  -3.297  -0.675   9.948
  562    HA   THR  73           HA       THR  73  -5.914   0.630  10.089
  563    HB   THR  73           HB       THR  73  -4.669   2.326  11.353
  564    HG1  THR  73          1HG       THR  73  -2.451   2.117  11.600
  565   1HG2  THR  73          1HG       THR  73  -3.538   0.775  13.096
  566   2HG2  THR  73          2HG       THR  73  -5.261   0.501  12.780
  567   3HG2  THR  73          3HG       THR  73  -4.033  -0.578  12.090
  568    H    PHE  74           H        PHE  74  -3.451   0.337   7.797
  569    HA   PHE  74           HA       PHE  74  -4.030   2.857   6.375
  570   1HB   PHE  74          2HB       PHE  74  -2.076   0.574   5.841
  571   2HB   PHE  74          3HB       PHE  74  -2.150   2.099   4.995
  572    HD1  PHE  74          1HD       PHE  74  -2.756   3.447   7.996
  573    HD2  PHE  74          2HD       PHE  74   0.346   1.063   6.121
  574    HE1  PHE  74          1HE       PHE  74  -1.134   4.240   9.650
  575    HE2  PHE  74          2HE       PHE  74   1.985   2.057   7.664
  576    HZ   PHE  74           HZ       PHE  74   1.197   3.517   9.496
  577    H    ILE  75           H        ILE  75  -4.955  -0.578   6.273
  578    HA   ILE  75           HA       ILE  75  -5.517  -0.662   3.515
  579    HB   ILE  75           HB       ILE  75  -5.823  -2.355   5.750
  580   1HG1  ILE  75          2HG       ILE  75  -6.687  -3.003   2.925
  581   2HG1  ILE  75          3HG       ILE  75  -5.013  -2.731   3.295
  582   1HG2  ILE  75          1HG       ILE  75  -8.196  -1.747   5.977
  583   2HG2  ILE  75          2HG       ILE  75  -8.467  -2.114   4.247
  584   3HG2  ILE  75          3HG       ILE  75  -8.036  -3.402   5.379
  585   1HD1  ILE  75          1HD       ILE  75  -6.792  -4.954   4.297
  586   2HD1  ILE  75          2HD       ILE  75  -5.172  -5.047   3.573
  587   3HD1  ILE  75          3HD       ILE  75  -5.368  -4.487   5.236
  588    H    ILE  76           H        ILE  76  -6.957   0.219   2.301
  589    HA   ILE  76           HA       ILE  76  -9.322   1.560   3.558
  590    HB   ILE  76           HB       ILE  76  -9.202   3.221   1.751
  591   1HG1  ILE  76          2HG       ILE  76  -6.786   3.299   0.585
  592   2HG1  ILE  76          3HG       ILE  76  -6.811   1.584   0.870
  593   1HG2  ILE  76          1HG       ILE  76  -7.180   2.982   3.885
  594   2HG2  ILE  76          2HG       ILE  76  -6.823   4.134   2.586
  595   3HG2  ILE  76          3HG       ILE  76  -8.318   4.280   3.480
  596   1HD1  ILE  76          1HD       ILE  76  -7.688   2.464  -1.312
  597   2HD1  ILE  76          2HD       ILE  76  -8.856   1.455  -0.468
  598   3HD1  ILE  76          3HD       ILE  76  -8.995   3.240  -0.423
  599    H    GLY  77           H        GLY  77  -8.412  -1.121   1.769
  600   1HA   GLY  77          2HA       GLY  77 -10.933  -1.847   0.946
  601   2HA   GLY  77          3HA       GLY  77 -10.208  -0.969  -0.428
  602    H    GLU  78           H        GLU  78 -10.319  -3.084  -1.572
  603    HA   GLU  78           HA       GLU  78  -7.875  -4.573  -1.191
  604   1HB   GLU  78          2HB       GLU  78  -9.541  -5.607   0.368
  605   2HB   GLU  78          3HB       GLU  78 -10.588  -5.972  -1.005
  606   1HG   GLU  78          2HG       GLU  78  -7.694  -6.815  -0.892
  607   2HG   GLU  78          3HG       GLU  78  -8.941  -7.788  -0.077
  608    H    LEU  79           H        LEU  79  -7.527  -5.997  -3.190
  609    HA   LEU  79           HA       LEU  79  -8.131  -4.512  -5.566
  610   1HB   LEU  79          2HB       LEU  79  -6.539  -6.930  -4.710
  611   2HB   LEU  79          3HB       LEU  79  -7.116  -6.919  -6.375
  612    HG   LEU  79           HG       LEU  79  -6.141  -4.727  -6.749
  613   1HD1  LEU  79          1HD       LEU  79  -6.060  -4.303  -4.066
  614   2HD1  LEU  79          2HD       LEU  79  -4.402  -4.736  -4.354
  615   3HD1  LEU  79          3HD       LEU  79  -5.173  -3.404  -5.274
  616   1HD2  LEU  79          1HD       LEU  79  -4.432  -7.029  -5.822
  617   2HD2  LEU  79          2HD       LEU  79  -4.780  -6.484  -7.480
  618   3HD2  LEU  79          3HD       LEU  79  -3.689  -5.546  -6.460
  619    H    HIS  80           H        HIS  80 -10.055  -4.652  -6.607
  620    HA   HIS  80           HA       HIS  80 -12.133  -6.196  -5.977
  621   1HB   HIS  80          2HB       HIS  80 -11.261  -4.991  -8.557
  622   2HB   HIS  80          3HB       HIS  80 -12.504  -6.237  -8.682
  623    HD1  HIS  80           HD1      HIS  80 -14.472  -4.576  -9.265
  624    HD2  HIS  80           HD2      HIS  80 -12.466  -3.885  -5.632
  625    HE1  HIS  80           HE1      HIS  80 -15.886  -2.883  -7.949
  626    HA   PRO  81           HA       PRO  81 -11.179 -10.305  -6.684
  627   1HB   PRO  81          2HB       PRO  81 -13.736 -11.471  -6.593
  628   2HB   PRO  81          3HB       PRO  81 -12.794 -10.933  -5.180
  629   1HG   PRO  81          2HG       PRO  81 -15.082  -9.577  -6.563
  630   2HG   PRO  81          3HG       PRO  81 -14.608  -9.531  -4.838
  631   1HD   PRO  81          2HD       PRO  81 -14.079  -7.537  -6.749
  632   2HD   PRO  81          3HD       PRO  81 -13.245  -7.730  -5.175
  633    H    ASP  82           H        ASP  82 -10.407  -9.904  -8.800
  634    HA   ASP  82           HA       ASP  82 -11.663 -11.520 -10.844
  635   1HB   ASP  82          2HB       ASP  82 -12.842  -9.136 -10.874
  636   2HB   ASP  82          3HB       ASP  82 -11.336  -8.589 -11.593
  637    H    ASP  83           H        ASP  83  -9.388  -8.811 -10.155
  638    HA   ASP  83           HA       ASP  83  -7.440  -9.778 -12.074
  639   1HB   ASP  83          2HB       ASP  83  -8.062  -7.357 -11.210
  640   2HB   ASP  83          3HB       ASP  83  -6.866  -7.681  -9.964
  641    H    ARG  84           H        ARG  84  -8.178 -11.409  -9.587
  642    HA   ARG  84           HA       ARG  84  -5.468 -12.204  -8.905
  643   1HB   ARG  84          2HB       ARG  84  -6.365 -10.136  -7.361
  644   2HB   ARG  84          3HB       ARG  84  -7.052 -11.465  -6.452
  645   1HG   ARG  84          2HG       ARG  84  -4.942 -11.320  -5.524
  646   2HG   ARG  84          3HG       ARG  84  -4.637 -12.560  -6.730
  647   1HD   ARG  84          2HD       ARG  84  -4.326  -9.802  -7.796
  648   2HD   ARG  84          3HD       ARG  84  -3.272 -10.107  -6.431
  649    HE   ARG  84           HE       ARG  84  -2.952 -12.308  -8.091
  650   1HH1  ARG  84          2HH       ARG  84  -2.529  -8.817  -8.330
  651   2HH1  ARG  84          1HH       ARG  84  -1.185  -8.867  -9.408
  652   1HH2  ARG  84          2HH       ARG  84  -1.248 -12.417  -9.688
  653   2HH2  ARG  84          1HH       ARG  84  -0.477 -10.970 -10.229
  654    H    SER  85           H        SER  85  -7.685 -13.544 -10.163
  655    HA   SER  85           HA       SER  85  -9.067 -15.379  -9.958
  656   1HB   SER  85          2HB       SER  85  -6.588 -15.994  -8.457
  657   2HB   SER  85          3HB       SER  85  -7.960 -17.016  -8.014
  658    HG   SER  85           HG       SER  85  -6.737 -17.771  -9.809
  659    H    LYS  86           H        LYS  86  -9.969 -13.125  -8.547
  660    HA   LYS  86           HA       LYS  86 -11.219 -12.406  -6.774
  661   1HB   LYS  86          2HB       LYS  86 -13.254 -13.728  -6.424
  662   2HB   LYS  86          3HB       LYS  86 -12.868 -13.499  -8.133
  663   1HG   LYS  86          2HG       LYS  86 -12.040 -15.784  -8.320
  664   2HG   LYS  86          3HG       LYS  86 -12.173 -16.015  -6.559
  665   1HD   LYS  86          2HD       LYS  86 -14.664 -15.565  -6.831
  666   2HD   LYS  86          3HD       LYS  86 -14.410 -15.760  -8.577
  667   1HE   LYS  86          2HE       LYS  86 -13.543 -17.773  -6.440
  668   2HE   LYS  86          3HE       LYS  86 -15.083 -17.866  -7.308
  669   1HZ   LYS  86          1HZ       LYS  86 -13.737 -19.209  -8.545
  670   2HZ   LYS  86          2HZ       LYS  86 -13.547 -17.797  -9.367
  671   3HZ   LYS  86          3HZ       LYS  86 -12.378 -18.303  -8.325
  672    H    LEU  87           H        LEU  87  -8.862 -13.173  -5.752
  673    HA   LEU  87           HA       LEU  87  -7.820 -13.629  -3.806
  674   1HB   LEU  87          2HB       LEU  87 -10.539 -13.826  -2.453
  675   2HB   LEU  87          3HB       LEU  87  -8.970 -13.519  -1.704
  676    HG   LEU  87           HG       LEU  87 -10.461 -11.678  -3.620
  677   1HD1  LEU  87          1HD       LEU  87  -9.638 -10.909  -0.839
  678   2HD1  LEU  87          2HD       LEU  87 -11.028 -10.399  -1.814
  679   3HD1  LEU  87          3HD       LEU  87 -11.047 -11.986  -1.032
  680   1HD2  LEU  87          1HD       LEU  87  -7.663 -11.551  -2.403
  681   2HD2  LEU  87          2HD       LEU  87  -8.134 -11.404  -4.125
  682   3HD2  LEU  87          3HD       LEU  87  -8.541 -10.148  -2.998
  683    H    SER  88           H        SER  88  -7.685 -15.652  -5.395
  684    HA   SER  88           HA       SER  88  -7.788 -17.906  -3.582
  685   1HB   SER  88          2HB       SER  88 -10.159 -17.681  -4.614
  686   2HB   SER  88          3HB       SER  88  -9.401 -18.153  -6.149
  687    HG   SER  88           HG       SER  88 -10.239 -19.734  -4.288
  688    H    LYS  89           H        LYS  89  -7.111 -19.938  -4.982
  689    HA   LYS  89           HA       LYS  89  -5.687 -19.328  -7.415
  690   1HB   LYS  89          2HB       LYS  89  -4.136 -18.509  -5.444
  691   2HB   LYS  89          3HB       LYS  89  -3.825 -20.223  -5.205
  692   1HG   LYS  89          2HG       LYS  89  -3.407 -20.238  -7.814
  693   2HG   LYS  89          3HG       LYS  89  -3.289 -18.477  -7.648
  694   1HD   LYS  89          2HD       LYS  89  -1.320 -18.620  -6.329
  695   2HD   LYS  89          3HD       LYS  89  -1.700 -20.260  -5.799
  696   1HE   LYS  89          2HE       LYS  89  -0.021 -20.735  -7.247
  697   2HE   LYS  89          3HE       LYS  89  -1.424 -20.958  -8.289
  698   1HZ   LYS  89          1HZ       LYS  89   0.488 -19.653  -9.202
  699   2HZ   LYS  89          2HZ       LYS  89  -0.973 -18.923  -9.353
  700   3HZ   LYS  89          3HZ       LYS  89   0.085 -18.426  -8.186
  701    HA   PRO  90           HA       PRO  90  -7.137 -23.640  -6.709
  702   1HB   PRO  90          2HB       PRO  90  -8.256 -24.001  -9.242
  703   2HB   PRO  90          3HB       PRO  90  -9.116 -23.379  -7.810
  704   1HG   PRO  90          2HG       PRO  90  -8.125 -21.876 -10.185
  705   2HG   PRO  90          3HG       PRO  90  -9.448 -21.473  -9.055
  706   1HD   PRO  90          2HD       PRO  90  -6.817 -20.390  -9.075
  707   2HD   PRO  90          3HD       PRO  90  -8.039 -20.181  -7.784
  708    H    MET  91           H        MET  91  -5.974 -22.581  -9.955
  709    HA   MET  91           HA       MET  91  -3.479 -23.981  -9.782
  710   1HB   MET  91          2HB       MET  91  -3.960 -25.687 -11.529
  711   2HB   MET  91          3HB       MET  91  -4.778 -26.031 -10.018
  712   1HG   MET  91          2HG       MET  91  -6.879 -25.636 -10.872
  713   2HG   MET  91          3HG       MET  91  -6.330 -24.423 -12.021
  714   1HE   MET  91          1HE       MET  91  -8.011 -27.009 -14.375
  715   2HE   MET  91          2HE       MET  91  -8.523 -26.658 -12.707
  716   3HE   MET  91          3HE       MET  91  -7.991 -25.334 -13.775
  717    H    GLU  92           H        GLU  92  -3.774 -21.415 -10.393
  718    HA   GLU  92           HA       GLU  92  -3.726 -19.765 -12.036
  719   1HB   GLU  92          2HB       GLU  92  -1.860 -20.116 -13.592
  720   2HB   GLU  92          3HB       GLU  92  -1.473 -20.507 -11.922
  721   1HG   GLU  92          2HG       GLU  92  -1.639 -22.910 -12.382
  722   2HG   GLU  92          3HG       GLU  92  -2.142 -22.594 -14.053
  723    H    THR  93           H        THR  93  -6.078 -20.964 -12.407
  724    HA   THR  93           HA       THR  93  -6.682 -22.360 -14.651
  725    HB   THR  93           HB       THR  93  -8.314 -21.777 -12.946
  726    HG1  THR  93          1HG       THR  93  -8.956 -22.138 -15.258
  727   1HG2  THR  93          1HG       THR  93  -8.447 -18.955 -14.100
  728   2HG2  THR  93          2HG       THR  93  -9.410 -19.615 -12.784
  729   3HG2  THR  93          3HG       THR  93  -7.669 -19.374 -12.558
  730    H    LEU  94           H        LEU  94  -6.223 -18.808 -14.533
  731    HA   LEU  94           HA       LEU  94  -5.154 -18.583 -17.059
  732   1HB   LEU  94          2HB       LEU  94  -7.905 -18.931 -17.373
  733   2HB   LEU  94          3HB       LEU  94  -7.808 -17.196 -17.110
  734    HG   LEU  94           HG       LEU  94  -5.724 -17.563 -18.885
  735   1HD1  LEU  94          1HD       LEU  94  -6.299 -20.012 -19.032
  736   2HD1  LEU  94          2HD       LEU  94  -7.877 -19.571 -19.702
  737   3HD1  LEU  94          3HD       LEU  94  -6.389 -19.177 -20.594
  738   1HD2  LEU  94          1HD       LEU  94  -7.785 -16.014 -18.985
  739   2HD2  LEU  94          2HD       LEU  94  -7.049 -16.533 -20.504
  740   3HD2  LEU  94          3HD       LEU  94  -8.552 -17.309 -19.938
  741    HHA  HEM  95          MHG       HEM  95  11.850  -1.270   8.522
  742    HHB  HEM  95          MHD       HEM  95   5.588  -0.211   9.329
  743    HHC  HEM  95          MHA       HEM  95   4.785  -0.657   2.941
  744    HHD  HEM  95          MHB       HEM  95  11.131  -0.763   2.145
  745   1HMA  HEM  95          1HM       HEM  95   8.103  -0.944  12.189
  746   2HMA  HEM  95          2HM       HEM  95   7.083   0.334  11.516
  747   3HMA  HEM  95          3HM       HEM  95   6.621  -1.369  11.343
  748   1HAA  HEM  95          1HP       HEM  95  11.199  -2.200  10.548
  749   2HAA  HEM  95          2HP       HEM  95  10.077  -1.771  11.818
  750   1HBA  HEM  95          3HP       HEM  95  10.784   0.589  11.676
  751   2HBA  HEM  95          4HP       HEM  95  11.953   0.151  10.397
  752   1HMB  HEM  95          1HM       HEM  95   3.367   0.696   8.566
  753   2HMB  HEM  95          2HM       HEM  95   2.216  -0.259   7.589
  754   3HMB  HEM  95          3HM       HEM  95   3.387  -1.055   8.651
  755    HAB  HEM  95          AHT       HEM  95   2.855  -0.576   3.735
  756   1HBB  HEM  95          CHV       HEM  95   2.013  -2.113   5.876
  757   2HBB  HEM  95          THV       HEM  95   0.875  -1.287   4.671
  758   1HMC  HEM  95          1HM       HEM  95   5.180  -1.391   0.979
  759   2HMC  HEM  95          2HM       HEM  95   5.852  -0.036   0.075
  760   3HMC  HEM  95          3HM       HEM  95   6.449  -1.725  -0.163
  761    HAC  HEM  95          AHT       HEM  95  10.319  -0.716   0.148
  762   1HBC  HEM  95          THV       HEM  95   9.352  -0.037  -1.875
  763   2HBC  HEM  95          CHV       HEM  95   7.646  -0.095  -1.181
  764   1HMD  HEM  95          1HM       HEM  95  13.146  -0.299   2.538
  765   2HMD  HEM  95          2HM       HEM  95  14.307   0.024   3.776
  766   3HMD  HEM  95          3HM       HEM  95  13.946  -1.662   3.342
  767   1HAD  HEM  95          1HP       HEM  95  14.377  -1.817   6.493
  768   2HAD  HEM  95          2HP       HEM  95  13.721  -0.784   7.737
  769   1HBD  HEM  95          3HP       HEM  95  15.148   0.808   7.293
  770   2HBD  HEM  95          4HP       HEM  95  14.481   1.018   5.691
  Start of MODEL   32
    1   1H    ASP   1           H1       ASP   1 -18.297  -2.394   8.676
    2   2H    ASP   1           H2       ASP   1 -18.883  -2.754  10.157
    3   3H    ASP   1           H3       ASP   1 -17.343  -2.183  10.022
    4    HA   ASP   1           HA       ASP   1 -17.627  -4.642  10.396
    5   1HB   ASP   1          2HB       ASP   1 -15.786  -5.275   9.139
    6   2HB   ASP   1          3HB       ASP   1 -16.195  -4.224   7.780
    7    H    LYS   2           H        LYS   2 -17.642  -6.597   8.448
    8    HA   LYS   2           HA       LYS   2 -19.052  -7.825   7.150
    9   1HB   LYS   2          2HB       LYS   2 -20.916  -6.017   8.364
   10   2HB   LYS   2          3HB       LYS   2 -21.303  -6.047   6.647
   11   1HG   LYS   2          2HG       LYS   2 -21.872  -8.329   6.734
   12   2HG   LYS   2          3HG       LYS   2 -20.836  -8.629   8.143
   13   1HD   LYS   2          2HD       LYS   2 -23.048  -8.722   8.958
   14   2HD   LYS   2          3HD       LYS   2 -22.383  -7.206   9.543
   15   1HE   LYS   2          2HE       LYS   2 -23.717  -6.910   6.920
   16   2HE   LYS   2          3HE       LYS   2 -24.784  -7.642   8.124
   17   1HZ   LYS   2          1HZ       LYS   2 -23.426  -5.037   8.357
   18   2HZ   LYS   2          2HZ       LYS   2 -25.038  -5.317   8.213
   19   3HZ   LYS   2          3HZ       LYS   2 -24.258  -5.756   9.588
   20    H    ASP   3           H        ASP   3 -19.573  -4.409   6.123
   21    HA   ASP   3           HA       ASP   3 -18.866  -5.092   3.360
   22   1HB   ASP   3          2HB       ASP   3 -20.238  -2.919   4.764
   23   2HB   ASP   3          3HB       ASP   3 -18.944  -2.261   3.761
   24    H    VAL   4           H        VAL   4 -17.154  -3.782   2.241
   25    HA   VAL   4           HA       VAL   4 -14.882  -3.069   3.997
   26    HB   VAL   4           HB       VAL   4 -14.539  -4.698   1.466
   27   1HG1  VAL   4          1HG       VAL   4 -12.608  -4.793   3.739
   28   2HG1  VAL   4          2HG       VAL   4 -12.301  -4.671   2.002
   29   3HG1  VAL   4          3HG       VAL   4 -12.726  -3.224   2.955
   30   1HG2  VAL   4          1HG       VAL   4 -14.101  -6.672   2.890
   31   2HG2  VAL   4          2HG       VAL   4 -14.716  -5.779   4.302
   32   3HG2  VAL   4          3HG       VAL   4 -15.795  -6.172   2.945
   33    H    LYS   5           H        LYS   5 -13.700  -2.952   1.069
   34    HA   LYS   5           HA       LYS   5 -15.005  -0.444   0.184
   35   1HB   LYS   5          2HB       LYS   5 -12.287  -0.696   1.208
   36   2HB   LYS   5          3HB       LYS   5 -12.344   0.015  -0.415
   37   1HG   LYS   5          2HG       LYS   5 -12.528   1.904   0.997
   38   2HG   LYS   5          3HG       LYS   5 -14.164   1.587   0.473
   39   1HD   LYS   5          2HD       LYS   5 -13.741   0.021   2.844
   40   2HD   LYS   5          3HD       LYS   5 -13.043   1.602   3.171
   41   1HE   LYS   5          2HE       LYS   5 -15.090   2.735   2.784
   42   2HE   LYS   5          3HE       LYS   5 -15.755   1.381   1.847
   43   1HZ   LYS   5          1HZ       LYS   5 -16.764   1.484   3.992
   44   2HZ   LYS   5          2HZ       LYS   5 -15.925   0.097   3.802
   45   3HZ   LYS   5          3HZ       LYS   5 -15.303   1.299   4.754
   46    H    TYR   6           H        TYR   6 -12.548  -2.859  -0.660
   47    HA   TYR   6           HA       TYR   6 -11.984  -3.873  -2.604
   48   1HB   TYR   6          2HB       TYR   6 -14.870  -4.039  -2.176
   49   2HB   TYR   6          3HB       TYR   6 -14.470  -4.091  -3.852
   50    HD1  TYR   6           HD1      TYR   6 -12.339  -5.548  -1.126
   51    HD2  TYR   6           HD2      TYR   6 -15.222  -6.319  -4.211
   52    HE1  TYR   6           HE1      TYR   6 -11.854  -7.990  -0.971
   53    HE2  TYR   6           HE2      TYR   6 -14.760  -8.743  -4.064
   54    HH   TYR   6           HH       TYR   6 -13.566 -10.404  -2.954
   55    H    TYR   7           H        TYR   7 -10.601  -2.358  -3.811
   56    HA   TYR   7           HA       TYR   7 -12.082  -0.519  -5.524
   57   1HB   TYR   7          2HB       TYR   7  -9.433  -0.547  -4.055
   58   2HB   TYR   7          3HB       TYR   7  -9.605   0.360  -5.513
   59    HD1  TYR   7           HD1      TYR   7 -11.986   1.753  -5.634
   60    HD2  TYR   7           HD2      TYR   7  -9.930   0.595  -2.048
   61    HE1  TYR   7           HE1      TYR   7 -12.948   3.713  -4.475
   62    HE2  TYR   7           HE2      TYR   7 -10.958   2.509  -0.836
   63    HH   TYR   7           HH       TYR   7 -11.837   4.806  -1.413
   64    H    THR   8           H        THR   8 -11.193  -0.155  -7.582
   65    HA   THR   8           HA       THR   8 -10.479  -2.711  -8.875
   66    HB   THR   8           HB       THR   8 -11.154  -1.676 -10.906
   67    HG1  THR   8          1HG       THR   8 -11.106   0.813  -9.537
   68   1HG2  THR   8          1HG       THR   8 -13.016  -0.330  -8.898
   69   2HG2  THR   8          2HG       THR   8 -13.391  -0.924 -10.522
   70   3HG2  THR   8          3HG       THR   8 -13.044  -2.077  -9.229
   71    H    LEU   9           H        LEU   9  -8.606  -2.827 -10.256
   72    HA   LEU   9           HA       LEU   9  -6.262  -1.729  -9.269
   73   1HB   LEU   9          2HB       LEU   9  -6.622  -2.520 -12.179
   74   2HB   LEU   9          3HB       LEU   9  -5.124  -2.397 -11.267
   75    HG   LEU   9           HG       LEU   9  -5.508  -4.658 -11.276
   76   1HD1  LEU   9          1HD       LEU   9  -5.142  -3.720  -8.964
   77   2HD1  LEU   9          2HD       LEU   9  -6.895  -3.873  -8.684
   78   3HD1  LEU   9          3HD       LEU   9  -5.912  -5.304  -9.005
   79   1HD2  LEU   9          1HD       LEU   9  -7.496  -5.492 -11.882
   80   2HD2  LEU   9          2HD       LEU   9  -8.187  -5.063 -10.295
   81   3HD2  LEU   9          3HD       LEU   9  -8.258  -3.948 -11.687
   82    H    GLU  10           H        GLU  10  -8.283  -0.520 -11.917
   83    HA   GLU  10           HA       GLU  10  -6.661   1.632 -12.762
   84   1HB   GLU  10          2HB       GLU  10  -9.465   0.736 -13.035
   85   2HB   GLU  10          3HB       GLU  10  -9.290   2.497 -13.113
   86   1HG   GLU  10          2HG       GLU  10  -7.809   2.424 -14.941
   87   2HG   GLU  10          3HG       GLU  10  -7.398   0.726 -14.672
   88    H    GLU  11           H        GLU  11  -9.236   1.550 -10.291
   89    HA   GLU  11           HA       GLU  11  -9.078   4.306  -9.638
   90   1HB   GLU  11          2HB       GLU  11 -10.929   2.895  -8.850
   91   2HB   GLU  11          3HB       GLU  11  -9.820   1.921  -7.886
   92   1HG   GLU  11          2HG       GLU  11 -10.982   3.449  -6.461
   93   2HG   GLU  11          3HG       GLU  11  -9.291   3.868  -6.460
   94    H    ILE  12           H        ILE  12  -7.328   1.482  -8.179
   95    HA   ILE  12           HA       ILE  12  -5.888   3.047  -6.320
   96    HB   ILE  12           HB       ILE  12  -5.221   0.510  -7.799
   97   1HG1  ILE  12          2HG       ILE  12  -5.829   0.552  -4.890
   98   2HG1  ILE  12          3HG       ILE  12  -7.136   0.976  -5.955
   99   1HG2  ILE  12          1HG       ILE  12  -3.711   0.245  -5.599
  100   2HG2  ILE  12          2HG       ILE  12  -3.157   0.996  -7.116
  101   3HG2  ILE  12          3HG       ILE  12  -3.679   2.012  -5.723
  102   1HD1  ILE  12          1HD       ILE  12  -7.209  -1.467  -5.642
  103   2HD1  ILE  12          2HD       ILE  12  -6.753  -1.107  -7.294
  104   3HD1  ILE  12          3HD       ILE  12  -5.499  -1.587  -6.157
  105    H    LYS  13           H        LYS  13  -5.136   2.313  -9.744
  106    HA   LYS  13           HA       LYS  13  -2.554   3.615  -9.705
  107   1HB   LYS  13          2HB       LYS  13  -4.532   2.871 -11.867
  108   2HB   LYS  13          3HB       LYS  13  -3.081   3.805 -12.265
  109   1HG   LYS  13          2HG       LYS  13  -1.667   2.036 -11.948
  110   2HG   LYS  13          3HG       LYS  13  -2.530   1.485 -10.517
  111   1HD   LYS  13          2HD       LYS  13  -2.764  -0.274 -11.986
  112   2HD   LYS  13          3HD       LYS  13  -4.315   0.532 -12.076
  113   1HE   LYS  13          2HE       LYS  13  -2.080   0.854 -14.108
  114   2HE   LYS  13          3HE       LYS  13  -3.460  -0.244 -14.248
  115   1HZ   LYS  13          1HZ       LYS  13  -4.338   1.489 -15.321
  116   2HZ   LYS  13          2HZ       LYS  13  -4.726   2.019 -13.819
  117   3HZ   LYS  13          3HZ       LYS  13  -3.397   2.620 -14.580
  118    H    LYS  14           H        LYS  14  -5.812   4.843  -9.743
  119    HA   LYS  14           HA       LYS  14  -4.954   7.595 -10.333
  120   1HB   LYS  14          2HB       LYS  14  -7.108   6.450 -11.153
  121   2HB   LYS  14          3HB       LYS  14  -7.676   6.560  -9.489
  122   1HG   LYS  14          2HG       LYS  14  -6.946   9.181  -9.926
  123   2HG   LYS  14          3HG       LYS  14  -7.334   8.668 -11.566
  124   1HD   LYS  14          2HD       LYS  14  -9.507   7.650 -10.494
  125   2HD   LYS  14          3HD       LYS  14  -9.088   8.639  -9.084
  126   1HE   LYS  14          2HE       LYS  14  -8.751  10.352 -11.307
  127   2HE   LYS  14          3HE       LYS  14 -10.181   9.393 -11.720
  128   1HZ   LYS  14          1HZ       LYS  14 -10.841  11.329 -10.522
  129   2HZ   LYS  14          2HZ       LYS  14 -11.078  10.028  -9.530
  130   3HZ   LYS  14          3HZ       LYS  14  -9.787  11.018  -9.291
  131    H    HIS  15           H        HIS  15  -4.009   6.044  -7.808
  132    HA   HIS  15           HA       HIS  15  -4.683   8.250  -5.928
  133   1HB   HIS  15          2HB       HIS  15  -4.816   5.286  -5.488
  134   2HB   HIS  15          3HB       HIS  15  -4.357   6.335  -4.148
  135    HD1  HIS  15           HD1      HIS  15  -6.167   7.973  -3.114
  136    HD2  HIS  15           HD2      HIS  15  -7.437   5.380  -6.177
  137    HE1  HIS  15           HE1      HIS  15  -8.722   8.049  -3.143
  138    H    ASN  16           H        ASN  16  -2.496   7.796  -7.848
  139    HA   ASN  16           HA       ASN  16  -0.188   7.731  -5.951
  140   1HB   ASN  16          2HB       ASN  16  -0.046   7.459  -8.976
  141   2HB   ASN  16          3HB       ASN  16   1.197   7.093  -7.778
  142   1HD2  ASN  16          1HD       ASN  16  -0.084   5.430  -9.941
  143   2HD2  ASN  16          2HD       ASN  16  -0.558   3.989  -9.064
  144    H    HIS  17           H        HIS  17  -0.852  10.074  -5.405
  145    HA   HIS  17           HA       HIS  17   0.445  11.891  -7.332
  146   1HB   HIS  17          2HB       HIS  17  -1.514  13.502  -7.160
  147   2HB   HIS  17          3HB       HIS  17  -1.739  12.091  -8.171
  148    HD1  HIS  17           HD1      HIS  17  -3.391  13.830  -5.301
  149    HD2  HIS  17           HD2      HIS  17  -3.306  10.059  -7.168
  150    HE1  HIS  17           HE1      HIS  17  -5.475  12.570  -4.520
  151    H    SER  18           H        SER  18   0.211  14.277  -6.162
  152    HA   SER  18           HA       SER  18   1.633  13.860  -3.669
  153   1HB   SER  18          2HB       SER  18   2.128  15.617  -5.430
  154   2HB   SER  18          3HB       SER  18   0.695  16.496  -4.853
  155    HG   SER  18           HG       SER  18   1.674  16.452  -2.761
  156    H    LYS  19           H        LYS  19  -1.234  12.946  -3.614
  157    HA   LYS  19           HA       LYS  19  -2.007  14.220  -1.169
  158   1HB   LYS  19          2HB       LYS  19  -2.759  15.747  -3.183
  159   2HB   LYS  19          3HB       LYS  19  -4.061  14.578  -3.374
  160   1HG   LYS  19          2HG       LYS  19  -5.068  15.174  -1.376
  161   2HG   LYS  19          3HG       LYS  19  -3.551  15.635  -0.597
  162   1HD   LYS  19          2HD       LYS  19  -4.636  17.279  -2.909
  163   2HD   LYS  19          3HD       LYS  19  -5.216  17.503  -1.252
  164   1HE   LYS  19          2HE       LYS  19  -2.451  17.374  -0.917
  165   2HE   LYS  19          3HE       LYS  19  -2.586  18.239  -2.446
  166   1HZ   LYS  19          1HZ       LYS  19  -4.244  19.072  -0.178
  167   2HZ   LYS  19          2HZ       LYS  19  -2.658  19.488  -0.192
  168   3HZ   LYS  19          3HZ       LYS  19  -3.644  19.983  -1.412
  169    H    SER  20           H        SER  20  -1.381  11.555  -2.192
  170    HA   SER  20           HA       SER  20  -2.960   9.846  -0.804
  171   1HB   SER  20          2HB       SER  20  -4.190  10.425  -3.450
  172   2HB   SER  20          3HB       SER  20  -3.942   8.719  -3.078
  173    HG   SER  20           HG       SER  20  -5.661  10.551  -1.941
  174    H    THR  21           H        THR  21  -1.647   8.145  -0.675
  175    HA   THR  21           HA       THR  21  -0.049   7.232  -2.998
  176    HB   THR  21           HB       THR  21   0.868   7.597  -0.116
  177    HG1  THR  21          1HG       THR  21   2.332   9.026  -1.050
  178   1HG2  THR  21          1HG       THR  21   2.648   6.677  -2.386
  179   2HG2  THR  21          2HG       THR  21   2.849   6.499  -0.625
  180   3HG2  THR  21          3HG       THR  21   1.707   5.488  -1.469
  181    H    TRP  22           H        TRP  22  -1.637   5.672  -3.318
  182    HA   TRP  22           HA       TRP  22  -2.091   3.725  -1.104
  183   1HB   TRP  22          2HB       TRP  22  -3.245   4.098  -3.885
  184   2HB   TRP  22          3HB       TRP  22  -3.526   2.640  -2.939
  185    HD1  TRP  22           HD1      TRP  22  -3.474   5.456  -0.568
  186    HE1  TRP  22           HE1      TRP  22  -5.817   6.147   0.106
  187    HE3  TRP  22           HE3      TRP  22  -6.051   2.928  -4.160
  188    HZ2  TRP  22           HZ2      TRP  22  -8.512   5.754  -0.880
  189    HZ3  TRP  22           HZ3      TRP  22  -8.520   3.130  -4.313
  190    HH2  TRP  22           HH2      TRP  22  -9.745   4.585  -2.719
  191    H    LEU  23           H        LEU  23  -1.925   1.385  -1.914
  192    HA   LEU  23           HA       LEU  23  -0.175   0.726  -4.048
  193   1HB   LEU  23          2HB       LEU  23   1.707  -0.198  -2.615
  194   2HB   LEU  23          3HB       LEU  23   1.639   1.528  -2.861
  195    HG   LEU  23           HG       LEU  23   0.362   1.561  -0.513
  196   1HD1  LEU  23          1HD       LEU  23   0.314  -1.024  -0.478
  197   2HD1  LEU  23          2HD       LEU  23   2.035  -0.877  -0.060
  198   3HD1  LEU  23          3HD       LEU  23   0.797  -0.142   0.975
  199   1HD2  LEU  23          1HD       LEU  23   2.291   2.539   0.066
  200   2HD2  LEU  23          2HD       LEU  23   3.138   0.980   0.158
  201   3HD2  LEU  23          3HD       LEU  23   3.091   1.885  -1.347
  202    H    ILE  24           H        ILE  24   0.271  -1.632  -4.051
  203    HA   ILE  24           HA       ILE  24  -1.976  -3.044  -2.778
  204    HB   ILE  24           HB       ILE  24  -0.395  -3.588  -5.349
  205   1HG1  ILE  24          2HG       ILE  24  -2.884  -3.426  -6.211
  206   2HG1  ILE  24          3HG       ILE  24  -3.134  -2.446  -4.756
  207   1HG2  ILE  24          1HG       ILE  24  -1.974  -5.449  -5.708
  208   2HG2  ILE  24          2HG       ILE  24  -0.954  -5.715  -4.303
  209   3HG2  ILE  24          3HG       ILE  24  -2.637  -5.190  -4.073
  210   1HD1  ILE  24          1HD       ILE  24  -2.581  -1.236  -6.933
  211   2HD1  ILE  24          2HD       ILE  24  -1.537  -0.806  -5.562
  212   3HD1  ILE  24          3HD       ILE  24  -0.962  -1.922  -6.829
  213    H    LEU  25           H        LEU  25  -1.207  -4.072  -0.996
  214    HA   LEU  25           HA       LEU  25   1.460  -5.412  -1.191
  215   1HB   LEU  25          2HB       LEU  25  -0.012  -4.213   1.154
  216   2HB   LEU  25          3HB       LEU  25   1.212  -5.448   1.399
  217    HG   LEU  25           HG       LEU  25   1.707  -2.937  -0.216
  218   1HD1  LEU  25          1HD       LEU  25   2.142  -3.497   2.752
  219   2HD1  LEU  25          2HD       LEU  25   2.897  -2.144   1.881
  220   3HD1  LEU  25          3HD       LEU  25   1.126  -2.212   2.061
  221   1HD2  LEU  25          1HD       LEU  25   3.169  -5.296   0.263
  222   2HD2  LEU  25          2HD       LEU  25   3.722  -3.820  -0.535
  223   3HD2  LEU  25          3HD       LEU  25   3.954  -4.048   1.205
  224    H    HIS  26           H        HIS  26   0.826  -7.318  -2.004
  225    HA   HIS  26           HA       HIS  26  -0.065  -9.344  -2.214
  226   1HB   HIS  26          2HB       HIS  26   0.204 -10.651  -0.436
  227   2HB   HIS  26          3HB       HIS  26   0.955  -9.215   0.221
  228    HD1  HIS  26           HD1      HIS  26  -2.208 -11.324   0.510
  229    HD2  HIS  26           HD2      HIS  26  -0.385  -8.002   2.317
  230    HE1  HIS  26           HE1      HIS  26  -3.570 -10.795   2.601
  231    H    HIS  27           H        HIS  27  -1.804  -8.830  -3.591
  232    HA   HIS  27           HA       HIS  27  -3.963  -8.227  -4.164
  233   1HB   HIS  27          2HB       HIS  27  -5.501 -10.112  -3.495
  234   2HB   HIS  27          3HB       HIS  27  -4.010 -10.571  -4.280
  235    HD1  HIS  27           HD1      HIS  27  -5.869 -10.989  -1.026
  236    HD2  HIS  27           HD2      HIS  27  -2.127 -11.836  -2.742
  237    HE1  HIS  27           HE1      HIS  27  -4.743 -12.770   0.474
  238    H    LYS  28           H        LYS  28  -3.352  -6.461  -2.050
  239    HA   LYS  28           HA       LYS  28  -5.957  -6.078  -0.689
  240   1HB   LYS  28          2HB       LYS  28  -3.360  -6.762   0.519
  241   2HB   LYS  28          3HB       LYS  28  -3.917  -5.201   1.060
  242   1HG   LYS  28          2HG       LYS  28  -4.512  -6.923   2.586
  243   2HG   LYS  28          3HG       LYS  28  -5.983  -6.209   1.901
  244   1HD   LYS  28          2HD       LYS  28  -6.345  -8.218   0.556
  245   2HD   LYS  28          3HD       LYS  28  -4.680  -8.735   0.823
  246   1HE   LYS  28          2HE       LYS  28  -5.869 -10.118   2.237
  247   2HE   LYS  28          3HE       LYS  28  -5.210  -8.875   3.315
  248   1HZ   LYS  28          1HZ       LYS  28  -7.365  -7.879   3.433
  249   2HZ   LYS  28          2HZ       LYS  28  -7.911  -8.759   2.161
  250   3HZ   LYS  28          3HZ       LYS  28  -7.651  -9.499   3.569
  251    H    VAL  29           H        VAL  29  -6.065  -3.665   0.088
  252    HA   VAL  29           HA       VAL  29  -4.296  -1.939  -1.552
  253    HB   VAL  29           HB       VAL  29  -7.256  -2.183  -1.210
  254   1HG1  VAL  29          1HG       VAL  29  -7.229  -0.133  -0.466
  255   2HG1  VAL  29          2HG       VAL  29  -5.880   0.439  -1.499
  256   3HG1  VAL  29          3HG       VAL  29  -7.499   0.127  -2.193
  257   1HG2  VAL  29          1HG       VAL  29  -7.304  -2.503  -3.353
  258   2HG2  VAL  29          2HG       VAL  29  -6.296  -1.085  -3.657
  259   3HG2  VAL  29          3HG       VAL  29  -5.509  -2.615  -3.265
  260    H    TYR  30           H        TYR  30  -3.105  -0.641  -0.270
  261    HA   TYR  30           HA       TYR  30  -4.177   0.094   2.369
  262   1HB   TYR  30          2HB       TYR  30  -1.434  -0.575   1.282
  263   2HB   TYR  30          3HB       TYR  30  -1.729   0.200   2.813
  264    HD1  TYR  30           HD1      TYR  30  -2.837  -1.001   4.692
  265    HD2  TYR  30           HD2      TYR  30  -1.817  -2.959   1.019
  266    HE1  TYR  30           HE1      TYR  30  -3.078  -3.227   5.791
  267    HE2  TYR  30           HE2      TYR  30  -1.865  -5.172   2.177
  268    HH   TYR  30           HH       TYR  30  -2.378  -6.294   4.169
  269    H    ASP  31           H        ASP  31  -3.428   2.151   3.125
  270    HA   ASP  31           HA       ASP  31  -2.733   4.176   1.092
  271   1HB   ASP  31          2HB       ASP  31  -5.147   4.219   1.568
  272   2HB   ASP  31          3HB       ASP  31  -4.829   4.355   3.302
  273    H    LEU  32           H        LEU  32  -0.796   4.827   1.703
  274    HA   LEU  32           HA       LEU  32  -0.295   5.139   4.622
  275   1HB   LEU  32          2HB       LEU  32   2.182   4.728   3.231
  276   2HB   LEU  32          3HB       LEU  32   1.469   3.882   4.596
  277    HG   LEU  32           HG       LEU  32   0.889   3.128   1.740
  278   1HD1  LEU  32          1HD       LEU  32   2.910   2.127   3.783
  279   2HD1  LEU  32          2HD       LEU  32   2.424   1.182   2.366
  280   3HD1  LEU  32          3HD       LEU  32   3.194   2.743   2.133
  281   1HD2  LEU  32          1HD       LEU  32   0.159   1.982   4.453
  282   2HD2  LEU  32          2HD       LEU  32  -0.850   2.200   3.025
  283   3HD2  LEU  32          3HD       LEU  32   0.347   0.928   3.025
  284    H    THR  33           H        THR  33  -1.373   6.944   2.425
  285    HA   THR  33           HA       THR  33   0.551   8.865   1.697
  286    HB   THR  33           HB       THR  33  -2.095   8.511   1.228
  287    HG1  THR  33          1HG       THR  33  -0.354  10.709   0.812
  288   1HG2  THR  33          1HG       THR  33  -3.254  10.484   1.775
  289   2HG2  THR  33          2HG       THR  33  -2.618   9.824   3.300
  290   3HG2  THR  33          3HG       THR  33  -1.787  11.196   2.507
  291    H    LYS  34           H        LYS  34  -0.849   8.293   4.804
  292    HA   LYS  34           HA       LYS  34   0.337  10.834   5.814
  293   1HB   LYS  34          2HB       LYS  34  -2.257   9.828   5.958
  294   2HB   LYS  34          3HB       LYS  34  -1.608   9.326   7.501
  295   1HG   LYS  34          2HG       LYS  34  -1.161  12.181   6.549
  296   2HG   LYS  34          3HG       LYS  34  -2.773  11.684   7.021
  297   1HD   LYS  34          2HD       LYS  34  -1.372  10.693   9.155
  298   2HD   LYS  34          3HD       LYS  34  -0.362  12.088   8.756
  299   1HE   LYS  34          2HE       LYS  34  -2.095  13.618   9.189
  300   2HE   LYS  34          3HE       LYS  34  -3.358  12.443   8.806
  301   1HZ   LYS  34          1HZ       LYS  34  -2.380  13.073  11.314
  302   2HZ   LYS  34          2HZ       LYS  34  -3.542  11.976  10.915
  303   3HZ   LYS  34          3HZ       LYS  34  -1.970  11.507  11.024
  304    H    PHE  35           H        PHE  35   0.972   7.577   5.594
  305    HA   PHE  35           HA       PHE  35   2.377   7.369   8.180
  306   1HB   PHE  35          2HB       PHE  35   0.937   5.527   7.383
  307   2HB   PHE  35          3HB       PHE  35   1.874   5.442   5.917
  308    HD1  PHE  35          1HD       PHE  35   2.866   5.576   9.567
  309    HD2  PHE  35          2HD       PHE  35   3.171   3.474   5.816
  310    HE1  PHE  35          1HE       PHE  35   4.527   4.041  10.555
  311    HE2  PHE  35          2HE       PHE  35   4.773   1.930   6.805
  312    HZ   PHE  35           HZ       PHE  35   5.560   2.239   9.146
  313    H    LEU  36           H        LEU  36   2.843   8.065   4.793
  314    HA   LEU  36           HA       LEU  36   5.333   7.136   4.203
  315   1HB   LEU  36          2HB       LEU  36   3.712   9.409   3.351
  316   2HB   LEU  36          3HB       LEU  36   5.432   9.673   3.130
  317    HG   LEU  36           HG       LEU  36   5.650   8.021   1.491
  318   1HD1  LEU  36          1HD       LEU  36   3.867   6.168   1.307
  319   2HD1  LEU  36          2HD       LEU  36   5.234   6.113   2.449
  320   3HD1  LEU  36          3HD       LEU  36   3.607   6.511   3.017
  321   1HD2  LEU  36          1HD       LEU  36   3.950   8.193   0.027
  322   2HD2  LEU  36          2HD       LEU  36   2.733   8.447   1.342
  323   3HD2  LEU  36          3HD       LEU  36   3.928   9.727   0.935
  324    H    GLU  37           H        GLU  37   4.930  10.407   5.641
  325    HA   GLU  37           HA       GLU  37   7.685  10.590   6.384
  326   1HB   GLU  37          2HB       GLU  37   6.938  12.621   7.499
  327   2HB   GLU  37          3HB       GLU  37   6.105  12.456   5.952
  328   1HG   GLU  37          2HG       GLU  37   4.257  11.217   7.490
  329   2HG   GLU  37          3HG       GLU  37   5.022  12.170   8.760
  330    H    GLU  38           H        GLU  38   4.996   8.949   7.848
  331    HA   GLU  38           HA       GLU  38   6.270   8.846  10.507
  332   1HB   GLU  38          2HB       GLU  38   3.522   8.671   9.494
  333   2HB   GLU  38          3HB       GLU  38   3.913   7.275  10.485
  334   1HG   GLU  38          2HG       GLU  38   4.906   9.176  12.116
  335   2HG   GLU  38          3HG       GLU  38   3.728  10.165  11.251
  336    H    HIS  39           HN       HIS  39   6.869   7.257   7.696
  337    HA   HIS  39           HA       HIS  39   6.719   4.568   8.744
  338   1HB   HIS  39          2HB       HIS  39   6.078   4.860   6.444
  339   2HB   HIS  39          3HB       HIS  39   7.598   5.640   6.081
  340    HD1  HIS  39           HND      HIS  39   8.747   4.087   4.465
  341    HD2  HIS  39           HD       HIS  39   6.951   1.973   7.586
  342    HE1  HIS  39           HE       HIS  39   9.385   1.765   4.132
  343    HA   PRO  40           HA       PRO  40  10.905   5.226  10.231
  344   1HB   PRO  40          2HB       PRO  40  11.272   2.790  11.445
  345   2HB   PRO  40          3HB       PRO  40  10.320   4.126  12.134
  346   1HG   PRO  40          2HG       PRO  40   9.279   1.657  10.773
  347   2HG   PRO  40          3HG       PRO  40   8.589   2.574  12.141
  348   1HD   PRO  40          2HD       PRO  40   7.854   2.716   9.447
  349   2HD   PRO  40          3HD       PRO  40   7.455   3.940  10.692
  350    H    GLY  41           H        GLY  41  11.734   5.407   8.078
  351   1HA   GLY  41          2HA       GLY  41  13.825   3.835   7.412
  352   2HA   GLY  41          3HA       GLY  41  12.472   2.967   6.635
  353    H    GLY  42           H        GLY  42  10.918   4.528   5.363
  354   1HA   GLY  42          2HA       GLY  42  12.274   6.835   4.229
  355   2HA   GLY  42          3HA       GLY  42  12.099   5.470   3.108
  356    H    GLU  43           H        GLU  43  10.888   7.720   2.600
  357    HA   GLU  43           HA       GLU  43   7.967   6.995   2.745
  358   1HB   GLU  43          2HB       GLU  43   7.536   9.388   2.520
  359   2HB   GLU  43          3HB       GLU  43   8.523   9.016   3.940
  360   1HG   GLU  43          2HG       GLU  43  10.562   9.644   2.453
  361   2HG   GLU  43          3HG       GLU  43   9.370  10.347   1.355
  362    H    GLU  44           H        GLU  44  10.517   8.327   0.622
  363    HA   GLU  44           HA       GLU  44   8.728   8.552  -1.631
  364   1HB   GLU  44          2HB       GLU  44  10.537   9.134  -2.920
  365   2HB   GLU  44          3HB       GLU  44  11.079   9.612  -1.301
  366   1HG   GLU  44          2HG       GLU  44  12.331   7.437  -1.139
  367   2HG   GLU  44          3HG       GLU  44  11.864   7.063  -2.812
  368    H    VAL  45           H        VAL  45  10.871   5.969  -0.463
  369    HA   VAL  45           HA       VAL  45  10.626   4.166  -2.616
  370    HB   VAL  45           HB       VAL  45  10.620   2.414  -0.707
  371   1HG1  VAL  45          1HG       VAL  45  12.748   4.518  -1.155
  372   2HG1  VAL  45          2HG       VAL  45  13.032   3.079  -0.142
  373   3HG1  VAL  45          3HG       VAL  45  12.618   2.894  -1.860
  374   1HG2  VAL  45          1HG       VAL  45   9.812   4.437   0.969
  375   2HG2  VAL  45          2HG       VAL  45  10.689   2.995   1.482
  376   3HG2  VAL  45          3HG       VAL  45  11.567   4.504   1.173
  377    H    LEU  46           H        LEU  46   8.253   5.267  -0.370
  378    HA   LEU  46           HA       LEU  46   6.507   2.859  -0.937
  379   1HB   LEU  46          2HB       LEU  46   5.695   5.410   0.421
  380   2HB   LEU  46          3HB       LEU  46   4.790   3.881   0.415
  381    HG   LEU  46           HG       LEU  46   7.160   4.731   2.042
  382   1HD1  LEU  46          1HD       LEU  46   5.294   2.553   2.941
  383   2HD1  LEU  46          2HD       LEU  46   6.038   3.866   3.860
  384   3HD1  LEU  46          3HD       LEU  46   4.623   4.179   2.858
  385   1HD2  LEU  46          1HD       LEU  46   7.633   2.304   2.561
  386   2HD2  LEU  46          2HD       LEU  46   6.716   1.897   1.100
  387   3HD2  LEU  46          3HD       LEU  46   8.209   2.868   1.001
  388    H    ARG  47           H        ARG  47   7.014   6.063  -2.147
  389    HA   ARG  47           HA       ARG  47   4.678   6.107  -3.864
  390   1HB   ARG  47          2HB       ARG  47   6.942   7.884  -3.211
  391   2HB   ARG  47          3HB       ARG  47   6.496   7.930  -4.921
  392   1HG   ARG  47          2HG       ARG  47   4.162   8.419  -4.342
  393   2HG   ARG  47          3HG       ARG  47   4.542   8.266  -2.614
  394   1HD   ARG  47          2HD       ARG  47   4.979  10.480  -2.634
  395   2HD   ARG  47          3HD       ARG  47   6.477  10.043  -3.467
  396    HE   ARG  47           HE       ARG  47   4.066  10.454  -5.110
  397   1HH1  ARG  47          2HH       ARG  47   7.082  11.847  -3.892
  398   2HH1  ARG  47          1HH       ARG  47   7.164  13.114  -5.056
  399   1HH2  ARG  47          2HH       ARG  47   4.157  12.139  -6.695
  400   2HH2  ARG  47          1HH       ARG  47   5.437  13.297  -6.673
  401    H    GLU  48           H        GLU  48   8.048   4.945  -4.125
  402    HA   GLU  48           HA       GLU  48   8.024   4.773  -6.989
  403   1HB   GLU  48          2HB       GLU  48   9.763   3.875  -4.773
  404   2HB   GLU  48          3HB       GLU  48   9.660   2.674  -6.043
  405   1HG   GLU  48          2HG       GLU  48  10.014   5.013  -7.522
  406   2HG   GLU  48          3HG       GLU  48  10.923   5.364  -6.056
  407    H    GLN  49           H        GLN  49   6.362   2.936  -4.613
  408    HA   GLN  49           HA       GLN  49   5.624   0.880  -6.659
  409   1HB   GLN  49          2HB       GLN  49   5.739   0.833  -3.639
  410   2HB   GLN  49          3HB       GLN  49   5.170  -0.507  -4.661
  411   1HG   GLN  49          2HG       GLN  49   7.989   0.645  -4.938
  412   2HG   GLN  49          3HG       GLN  49   7.590  -0.620  -3.798
  413   1HE2  GLN  49          1HE       GLN  49   9.485  -1.182  -5.807
  414   2HE2  GLN  49          2HE       GLN  49   8.715  -2.333  -6.893
  415    H    ALA  50           H        ALA  50   4.559   3.690  -5.614
  416    HA   ALA  50           HA       ALA  50   2.085   3.317  -4.398
  417   1HB   ALA  50          1HB       ALA  50   3.314   5.553  -5.200
  418   2HB   ALA  50          2HB       ALA  50   2.223   5.391  -6.563
  419   3HB   ALA  50          3HB       ALA  50   1.566   5.510  -4.913
  420    H    GLY  51           H        GLY  51   0.006   2.925  -5.127
  421   1HA   GLY  51          2HA       GLY  51  -1.540   1.750  -6.273
  422   2HA   GLY  51          3HA       GLY  51  -1.062   2.772  -7.631
  423    H    GLY  52           H        GLY  52   1.250   0.480  -6.170
  424   1HA   GLY  52          2HA       GLY  52   1.023  -1.430  -8.392
  425   2HA   GLY  52          3HA       GLY  52   2.537  -0.543  -8.069
  426    H    ASP  53           H        ASP  53   2.856  -3.198  -7.839
  427    HA   ASP  53           HA       ASP  53   1.954  -4.219  -5.319
  428   1HB   ASP  53          2HB       ASP  53   3.547  -6.150  -6.514
  429   2HB   ASP  53          3HB       ASP  53   1.800  -5.982  -6.568
  430    H    ALA  54           H        ALA  54   3.053  -3.114  -3.746
  431    HA   ALA  54           HA       ALA  54   5.997  -2.928  -3.990
  432   1HB   ALA  54          1HB       ALA  54   5.972  -1.395  -2.323
  433   2HB   ALA  54          2HB       ALA  54   4.279  -1.182  -2.833
  434   3HB   ALA  54          3HB       ALA  54   4.662  -2.159  -1.423
  435    H    THR  55           H        THR  55   3.779  -5.313  -3.011
  436    HA   THR  55           HA       THR  55   4.812  -6.188  -0.586
  437    HB   THR  55           HB       THR  55   3.101  -7.264  -2.741
  438    HG1  THR  55          1HG       THR  55   3.137  -7.734   0.047
  439   1HG2  THR  55          1HG       THR  55   4.547  -9.161  -2.792
  440   2HG2  THR  55          2HG       THR  55   4.618  -9.242  -1.005
  441   3HG2  THR  55          3HG       THR  55   3.100  -9.585  -1.861
  442    H    GLU  56           H        GLU  56   6.092  -6.809  -3.890
  443    HA   GLU  56           HA       GLU  56   7.844  -8.913  -3.213
  444   1HB   GLU  56          2HB       GLU  56   7.820  -6.706  -5.254
  445   2HB   GLU  56          3HB       GLU  56   9.383  -7.462  -4.917
  446   1HG   GLU  56          2HG       GLU  56   8.220  -9.728  -5.234
  447   2HG   GLU  56          3HG       GLU  56   6.866  -8.824  -5.926
  448    H    ASN  57           H        ASN  57   8.234  -5.389  -2.765
  449    HA   ASN  57           HA       ASN  57  10.870  -5.691  -1.541
  450   1HB   ASN  57          2HB       ASN  57   9.138  -3.479  -2.345
  451   2HB   ASN  57          3HB       ASN  57   9.639  -3.267  -0.667
  452   1HD2  ASN  57          1HD       ASN  57  10.695  -1.354  -1.670
  453   2HD2  ASN  57          2HD       ASN  57  12.330  -1.600  -2.291
  454    H    PHE  58           H        PHE  58   7.595  -4.951  -0.378
  455    HA   PHE  58           HA       PHE  58   8.212  -4.862   2.423
  456   1HB   PHE  58          2HB       PHE  58   6.006  -4.528   1.357
  457   2HB   PHE  58          3HB       PHE  58   5.779  -6.277   1.330
  458    HD1  PHE  58          1HD       PHE  58   5.991  -7.505   3.714
  459    HD2  PHE  58          2HD       PHE  58   5.073  -3.335   3.145
  460    HE1  PHE  58          1HE       PHE  58   4.983  -7.415   5.953
  461    HE2  PHE  58          2HE       PHE  58   3.977  -3.289   5.373
  462    HZ   PHE  58           HZ       PHE  58   3.949  -5.301   6.794
  463    H    GLU  59           H        GLU  59   8.010  -7.844   0.497
  464    HA   GLU  59           HA       GLU  59   8.310  -9.572   2.872
  465   1HB   GLU  59          2HB       GLU  59   7.563  -9.865   0.010
  466   2HB   GLU  59          3HB       GLU  59   8.560 -11.176   0.614
  467   1HG   GLU  59          2HG       GLU  59   6.114 -10.205   2.140
  468   2HG   GLU  59          3HG       GLU  59   5.989 -11.376   0.828
  469    H    ASP  60           H        ASP  60  10.204  -8.604  -0.049
  470    HA   ASP  60           HA       ASP  60  12.435 -10.230   0.275
  471   1HB   ASP  60          2HB       ASP  60  11.884  -7.651  -1.068
  472   2HB   ASP  60          3HB       ASP  60  13.491  -7.689  -0.416
  473    H    VAL  61           H        VAL  61  11.792  -7.009   1.651
  474    HA   VAL  61           HA       VAL  61  14.209  -6.975   3.025
  475    HB   VAL  61           HB       VAL  61  13.005  -4.924   2.602
  476   1HG1  VAL  61          1HG       VAL  61  11.085  -5.604   4.849
  477   2HG1  VAL  61          2HG       VAL  61  10.975  -4.329   3.596
  478   3HG1  VAL  61          3HG       VAL  61  10.729  -6.029   3.182
  479   1HG2  VAL  61          1HG       VAL  61  12.946  -4.693   5.556
  480   2HG2  VAL  61          2HG       VAL  61  14.421  -5.452   4.953
  481   3HG2  VAL  61          3HG       VAL  61  13.944  -3.848   4.366
  482    H    GLY  62           H        GLY  62  10.908  -8.063   3.983
  483   1HA   GLY  62          2HA       GLY  62  10.618  -9.986   5.348
  484   2HA   GLY  62          3HA       GLY  62  12.302  -9.872   5.900
  485    H    HIS  63           HN       HIS  63   9.464  -7.762   5.785
  486    HA   HIS  63           HA       HIS  63  10.252  -5.934   7.578
  487   1HB   HIS  63          2HB       HIS  63   7.686  -6.785   6.355
  488   2HB   HIS  63          3HB       HIS  63   7.425  -5.931   7.846
  489    HD1  HIS  63           HND      HIS  63   8.948  -5.369   4.426
  490    HD2  HIS  63           HD       HIS  63   7.771  -3.285   7.855
  491    HE1  HIS  63           HE       HIS  63   9.010  -2.937   3.805
  492    H    SER  64           H        SER  64   9.358  -5.231   9.739
  493    HA   SER  64           HA       SER  64   9.490  -7.344  11.695
  494   1HB   SER  64          2HB       SER  64   8.566  -4.451  11.879
  495   2HB   SER  64          3HB       SER  64   8.868  -5.515  13.266
  496    HG   SER  64           HG       SER  64  10.830  -5.017  11.270
  497    H    THR  65           H        THR  65   7.676  -7.774  13.366
  498    HA   THR  65           HA       THR  65   5.289  -8.557  11.949
  499    HB   THR  65           HB       THR  65   6.220  -8.614  14.841
  500    HG1  THR  65          1HG       THR  65   7.190  -9.927  13.038
  501   1HG2  THR  65          1HG       THR  65   3.742  -8.666  14.764
  502   2HG2  THR  65          2HG       THR  65   3.823 -10.009  13.594
  503   3HG2  THR  65          3HG       THR  65   4.431 -10.219  15.258
  504    H    ASP  66           H        ASP  66   6.074  -6.016  14.424
  505    HA   ASP  66           HA       ASP  66   3.497  -4.959  14.793
  506   1HB   ASP  66          2HB       ASP  66   6.216  -3.584  14.575
  507   2HB   ASP  66          3HB       ASP  66   4.748  -2.753  15.098
  508    H    ALA  67           H        ALA  67   5.696  -4.797  12.107
  509    HA   ALA  67           HA       ALA  67   4.496  -2.561  10.766
  510   1HB   ALA  67          1HB       ALA  67   6.235  -2.956   9.246
  511   2HB   ALA  67          2HB       ALA  67   6.967  -3.545  10.704
  512   3HB   ALA  67          3HB       ALA  67   6.308  -4.690   9.566
  513    H    ARG  68           H        ARG  68   4.123  -6.170  10.586
  514    HA   ARG  68           HA       ARG  68   2.240  -6.146   8.518
  515   1HB   ARG  68          2HB       ARG  68   3.286  -8.093  10.309
  516   2HB   ARG  68          3HB       ARG  68   1.581  -8.090  10.667
  517   1HG   ARG  68          2HG       ARG  68   1.561  -9.642   9.035
  518   2HG   ARG  68          3HG       ARG  68   1.307  -8.229   8.012
  519   1HD   ARG  68          2HD       ARG  68   3.396  -8.387   7.061
  520   2HD   ARG  68          3HD       ARG  68   4.168  -8.930   8.563
  521    HE   ARG  68           HE       ARG  68   2.457 -10.973   7.595
  522   1HH1  ARG  68          2HH       ARG  68   5.609  -9.492   6.899
  523   2HH1  ARG  68          1HH       ARG  68   6.229 -10.863   6.036
  524   1HH2  ARG  68          2HH       ARG  68   3.382 -12.887   6.634
  525   2HH2  ARG  68          1HH       ARG  68   4.978 -12.821   5.967
  526    H    GLU  69           H        GLU  69   1.924  -4.982  11.897
  527    HA   GLU  69           HA       GLU  69  -1.024  -5.339  12.074
  528   1HB   GLU  69          2HB       GLU  69   1.101  -4.245  13.980
  529   2HB   GLU  69          3HB       GLU  69  -0.610  -4.143  14.305
  530   1HG   GLU  69          2HG       GLU  69   0.020  -6.873  13.561
  531   2HG   GLU  69          3HG       GLU  69   1.165  -6.328  14.792
  532    H    LEU  70           H        LEU  70   1.387  -2.597  11.907
  533    HA   LEU  70           HA       LEU  70  -0.478  -0.508  12.016
  534   1HB   LEU  70          2HB       LEU  70   2.172  -1.048  10.670
  535   2HB   LEU  70          3HB       LEU  70   1.315   0.422  10.343
  536    HG   LEU  70           HG       LEU  70   1.868  -0.346  13.200
  537   1HD1  LEU  70          1HD       LEU  70   4.019   0.944  12.975
  538   2HD1  LEU  70          2HD       LEU  70   4.025  -0.587  12.080
  539   3HD1  LEU  70          3HD       LEU  70   3.791   0.951  11.210
  540   1HD2  LEU  70          1HD       LEU  70   1.899   2.144  13.375
  541   2HD2  LEU  70          2HD       LEU  70   1.620   2.237  11.618
  542   3HD2  LEU  70          3HD       LEU  70   0.380   1.528  12.676
  543    H    SER  71           H        SER  71   0.303  -2.866   9.436
  544    HA   SER  71           HA       SER  71  -0.927  -1.583   7.341
  545   1HB   SER  71          2HB       SER  71  -0.710  -3.489   6.198
  546   2HB   SER  71          3HB       SER  71   0.244  -3.968   7.591
  547    HG   SER  71           HG       SER  71  -1.967  -5.089   6.669
  548    H    LYS  72           H        LYS  72  -2.490  -3.246  10.014
  549    HA   LYS  72           HA       LYS  72  -5.111  -3.352   9.018
  550   1HB   LYS  72          2HB       LYS  72  -3.858  -4.191  11.282
  551   2HB   LYS  72          3HB       LYS  72  -4.624  -2.745  11.928
  552   1HG   LYS  72          2HG       LYS  72  -6.394  -4.142  12.280
  553   2HG   LYS  72          3HG       LYS  72  -6.744  -3.889  10.559
  554   1HD   LYS  72          2HD       LYS  72  -5.353  -5.873   9.994
  555   2HD   LYS  72          3HD       LYS  72  -4.989  -6.123  11.706
  556   1HE   LYS  72          2HE       LYS  72  -7.811  -6.149  10.557
  557   2HE   LYS  72          3HE       LYS  72  -6.805  -7.594  10.754
  558   1HZ   LYS  72          1HZ       LYS  72  -8.155  -7.422  12.651
  559   2HZ   LYS  72          2HZ       LYS  72  -6.645  -6.985  13.140
  560   3HZ   LYS  72          3HZ       LYS  72  -7.796  -5.835  12.897
  561    H    THR  73           H        THR  73  -3.359  -0.583  10.419
  562    HA   THR  73           HA       THR  73  -5.815   1.046  10.411
  563    HB   THR  73           HB       THR  73  -3.985   0.870  12.269
  564    HG1  THR  73          1HG       THR  73  -5.856   2.181  12.278
  565   1HG2  THR  73          1HG       THR  73  -2.258   2.424  12.287
  566   2HG2  THR  73          2HG       THR  73  -2.171   1.795  10.629
  567   3HG2  THR  73          3HG       THR  73  -2.938   3.358  10.937
  568    H    PHE  74           H        PHE  74  -4.104   0.045   8.013
  569    HA   PHE  74           HA       PHE  74  -4.050   2.618   6.489
  570   1HB   PHE  74          2HB       PHE  74  -2.150   0.260   6.413
  571   2HB   PHE  74          3HB       PHE  74  -2.114   1.612   5.279
  572    HD1  PHE  74          1HD       PHE  74  -0.026   0.415   7.258
  573    HD2  PHE  74          2HD       PHE  74  -2.596   3.876   7.325
  574    HE1  PHE  74          1HE       PHE  74   1.632   1.658   8.627
  575    HE2  PHE  74          2HE       PHE  74  -1.065   4.967   8.924
  576    HZ   PHE  74           HZ       PHE  74   1.010   3.788   9.625
  577    H    ILE  75           H        ILE  75  -5.028  -0.853   6.506
  578    HA   ILE  75           HA       ILE  75  -5.433  -0.994   3.722
  579    HB   ILE  75           HB       ILE  75  -5.768  -2.638   5.983
  580   1HG1  ILE  75          2HG       ILE  75  -6.627  -3.417   3.198
  581   2HG1  ILE  75          3HG       ILE  75  -4.957  -3.050   3.523
  582   1HG2  ILE  75          1HG       ILE  75  -8.160  -2.033   6.161
  583   2HG2  ILE  75          2HG       ILE  75  -8.401  -2.511   4.455
  584   3HG2  ILE  75          3HG       ILE  75  -7.947  -3.714   5.671
  585   1HD1  ILE  75          1HD       ILE  75  -5.035  -5.349   3.894
  586   2HD1  ILE  75          2HD       ILE  75  -5.142  -4.717   5.528
  587   3HD1  ILE  75          3HD       ILE  75  -6.609  -5.298   4.701
  588    H    ILE  76           H        ILE  76  -6.855  -0.109   2.450
  589    HA   ILE  76           HA       ILE  76  -9.245   1.215   3.661
  590    HB   ILE  76           HB       ILE  76  -9.124   2.885   1.879
  591   1HG1  ILE  76          2HG       ILE  76  -6.632   2.986   0.809
  592   2HG1  ILE  76          3HG       ILE  76  -6.725   1.281   0.991
  593   1HG2  ILE  76          1HG       ILE  76  -8.317   3.593   3.934
  594   2HG2  ILE  76          2HG       ILE  76  -6.795   2.699   3.780
  595   3HG2  ILE  76          3HG       ILE  76  -7.117   4.116   2.753
  596   1HD1  ILE  76          1HD       ILE  76  -8.814   1.328  -0.380
  597   2HD1  ILE  76          2HD       ILE  76  -8.834   3.087  -0.288
  598   3HD1  ILE  76          3HD       ILE  76  -7.557   2.260  -1.198
  599    H    GLY  77           H        GLY  77  -8.349  -1.502   1.999
  600   1HA   GLY  77          2HA       GLY  77 -10.812  -2.350   1.265
  601   2HA   GLY  77          3HA       GLY  77 -10.312  -1.387  -0.142
  602    H    GLU  78           H        GLU  78 -10.321  -3.603  -1.265
  603    HA   GLU  78           HA       GLU  78  -7.684  -4.837  -1.047
  604   1HB   GLU  78          2HB       GLU  78 -10.315  -6.334  -0.815
  605   2HB   GLU  78          3HB       GLU  78  -8.777  -7.124  -1.188
  606   1HG   GLU  78          2HG       GLU  78  -7.865  -6.554   0.923
  607   2HG   GLU  78          3HG       GLU  78  -9.150  -5.420   1.313
  608    H    LEU  79           H        LEU  79  -7.401  -6.315  -3.089
  609    HA   LEU  79           HA       LEU  79  -8.275  -4.789  -5.381
  610   1HB   LEU  79          2HB       LEU  79  -6.532  -7.195  -4.815
  611   2HB   LEU  79          3HB       LEU  79  -7.236  -7.034  -6.442
  612    HG   LEU  79           HG       LEU  79  -6.333  -4.887  -6.743
  613   1HD1  LEU  79          1HD       LEU  79  -4.905  -5.039  -4.088
  614   2HD1  LEU  79          2HD       LEU  79  -4.953  -3.695  -5.268
  615   3HD1  LEU  79          3HD       LEU  79  -6.399  -4.142  -4.404
  616   1HD2  LEU  79          1HD       LEU  79  -3.988  -5.441  -6.964
  617   2HD2  LEU  79          2HD       LEU  79  -4.094  -6.634  -5.653
  618   3HD2  LEU  79          3HD       LEU  79  -4.894  -6.945  -7.204
  619    H    HIS  80           H        HIS  80 -10.076  -5.061  -6.560
  620    HA   HIS  80           HA       HIS  80 -12.117  -6.817  -5.787
  621   1HB   HIS  80          2HB       HIS  80 -11.534  -5.061  -8.107
  622   2HB   HIS  80          3HB       HIS  80 -12.578  -6.399  -8.503
  623    HD1  HIS  80           HD1      HIS  80 -14.851  -6.585  -6.653
  624    HD2  HIS  80           HD2      HIS  80 -12.787  -2.962  -7.179
  625    HE1  HIS  80           HE1      HIS  80 -16.433  -4.719  -5.949
  626    HA   PRO  81           HA       PRO  81 -11.194 -10.736  -7.449
  627   1HB   PRO  81          2HB       PRO  81 -13.645 -11.719  -8.259
  628   2HB   PRO  81          3HB       PRO  81 -13.167 -11.514  -6.551
  629   1HG   PRO  81          2HG       PRO  81 -14.980  -9.801  -8.209
  630   2HG   PRO  81          3HG       PRO  81 -15.018 -10.125  -6.450
  631   1HD   PRO  81          2HD       PRO  81 -13.949  -7.870  -7.765
  632   2HD   PRO  81          3HD       PRO  81 -13.684  -8.294  -6.043
  633    H    ASP  82           H        ASP  82  -9.900  -9.903  -9.097
  634    HA   ASP  82           HA       ASP  82 -10.537 -10.870 -11.712
  635   1HB   ASP  82          2HB       ASP  82 -11.147  -8.035 -11.179
  636   2HB   ASP  82          3HB       ASP  82  -9.827  -8.166 -12.329
  637    H    ASP  83           H        ASP  83  -8.573  -8.552  -9.797
  638    HA   ASP  83           HA       ASP  83  -6.127  -9.726 -11.064
  639   1HB   ASP  83          2HB       ASP  83  -6.903  -7.062 -10.621
  640   2HB   ASP  83          3HB       ASP  83  -5.609  -7.380  -9.476
  641    H    ARG  84           H        ARG  84  -7.714  -9.087  -7.931
  642    HA   ARG  84           HA       ARG  84  -5.577  -9.700  -6.229
  643   1HB   ARG  84          2HB       ARG  84  -7.293 -10.257  -4.582
  644   2HB   ARG  84          3HB       ARG  84  -7.838  -8.916  -5.563
  645   1HG   ARG  84          2HG       ARG  84  -9.748 -10.092  -5.667
  646   2HG   ARG  84          3HG       ARG  84  -8.937 -10.958  -6.981
  647   1HD   ARG  84          2HD       ARG  84  -8.114 -12.620  -5.231
  648   2HD   ARG  84          3HD       ARG  84  -9.057 -11.705  -4.036
  649    HE   ARG  84           HE       ARG  84 -10.547 -12.603  -6.385
  650   1HH1  ARG  84          2HH       ARG  84  -9.510 -13.432  -3.120
  651   2HH1  ARG  84          1HH       ARG  84 -10.795 -14.541  -2.806
  652   1HH2  ARG  84          2HH       ARG  84 -12.269 -14.109  -6.026
  653   2HH2  ARG  84          1HH       ARG  84 -12.400 -14.939  -4.521
  654    H    SER  85           H        SER  85  -7.277 -11.843  -8.373
  655    HA   SER  85           HA       SER  85  -5.961 -14.195  -7.111
  656   1HB   SER  85          2HB       SER  85  -8.516 -14.102  -7.440
  657   2HB   SER  85          3HB       SER  85  -8.178 -14.233  -9.179
  658    HG   SER  85           HG       SER  85  -6.822 -16.115  -8.468
  659    H    LYS  86           H        LYS  86  -5.666 -12.029  -9.747
  660    HA   LYS  86           HA       LYS  86  -4.347 -14.061 -11.462
  661   1HB   LYS  86          2HB       LYS  86  -5.874 -11.665 -12.051
  662   2HB   LYS  86          3HB       LYS  86  -4.235 -11.439 -12.638
  663   1HG   LYS  86          2HG       LYS  86  -4.533 -13.865 -13.626
  664   2HG   LYS  86          3HG       LYS  86  -6.267 -13.520 -13.432
  665   1HD   LYS  86          2HD       LYS  86  -5.904 -11.391 -14.758
  666   2HD   LYS  86          3HD       LYS  86  -4.199 -11.882 -14.958
  667   1HE   LYS  86          2HE       LYS  86  -5.068 -14.081 -15.906
  668   2HE   LYS  86          3HE       LYS  86  -6.678 -13.344 -15.967
  669   1HZ   LYS  86          1HZ       LYS  86  -4.577 -11.785 -17.163
  670   2HZ   LYS  86          2HZ       LYS  86  -4.869 -13.216 -17.921
  671   3HZ   LYS  86          3HZ       LYS  86  -6.086 -12.123 -17.732
  672    H    LEU  87           H        LEU  87  -3.703 -10.614 -10.564
  673    HA   LEU  87           HA       LEU  87  -1.963  -9.552  -9.754
  674   1HB   LEU  87          2HB       LEU  87  -0.676 -12.242  -9.123
  675   2HB   LEU  87          3HB       LEU  87  -0.195 -10.686  -8.497
  676    HG   LEU  87           HG       LEU  87  -2.988 -11.837  -7.999
  677   1HD1  LEU  87          1HD       LEU  87  -2.130 -12.636  -5.842
  678   2HD1  LEU  87          2HD       LEU  87  -1.405 -13.469  -7.219
  679   3HD1  LEU  87          3HD       LEU  87  -0.470 -12.224  -6.357
  680   1HD2  LEU  87          1HD       LEU  87  -1.454  -9.435  -7.085
  681   2HD2  LEU  87          2HD       LEU  87  -3.199  -9.691  -7.241
  682   3HD2  LEU  87          3HD       LEU  87  -2.335 -10.321  -5.828
  683    H    SER  88           H        SER  88  -0.532 -12.459 -11.316
  684    HA   SER  88           HA       SER  88   1.236 -10.828 -13.002
  685   1HB   SER  88          2HB       SER  88   0.693 -13.756 -12.499
  686   2HB   SER  88          3HB       SER  88   1.476 -13.279 -14.019
  687    HG   SER  88           HG       SER  88   2.352 -12.341 -11.489
  688    H    LYS  89           H        LYS  89   0.590  -9.941 -14.896
  689    HA   LYS  89           HA       LYS  89  -1.259 -11.468 -16.567
  690   1HB   LYS  89          2HB       LYS  89  -2.670  -9.534 -17.062
  691   2HB   LYS  89          3HB       LYS  89  -2.704  -9.912 -15.335
  692   1HG   LYS  89          2HG       LYS  89  -0.930  -8.081 -15.022
  693   2HG   LYS  89          3HG       LYS  89  -1.262  -7.609 -16.701
  694   1HD   LYS  89          2HD       LYS  89  -3.642  -7.254 -16.133
  695   2HD   LYS  89          3HD       LYS  89  -3.334  -7.780 -14.465
  696   1HE   LYS  89          2HE       LYS  89  -2.679  -5.734 -13.877
  697   2HE   LYS  89          3HE       LYS  89  -1.350  -5.837 -15.041
  698   1HZ   LYS  89          1HZ       LYS  89  -2.388  -4.114 -15.956
  699   2HZ   LYS  89          2HZ       LYS  89  -3.418  -5.224 -16.608
  700   3HZ   LYS  89          3HZ       LYS  89  -3.840  -4.431 -15.231
  701    HA   PRO  90           HA       PRO  90   2.070 -10.059 -19.211
  702   1HB   PRO  90          2HB       PRO  90   1.104 -11.021 -21.640
  703   2HB   PRO  90          3HB       PRO  90   1.965 -11.994 -20.416
  704   1HG   PRO  90          2HG       PRO  90  -0.952 -11.957 -21.049
  705   2HG   PRO  90          3HG       PRO  90   0.046 -13.266 -20.354
  706   1HD   PRO  90          2HD       PRO  90  -1.686 -11.524 -18.936
  707   2HD   PRO  90          3HD       PRO  90  -0.454 -12.609 -18.224
  708    H    MET  91           H        MET  91  -1.236  -9.747 -20.543
  709    HA   MET  91           HA       MET  91  -2.421  -8.039 -21.397
  710   1HB   MET  91          2HB       MET  91  -1.220  -6.745 -19.369
  711   2HB   MET  91          3HB       MET  91  -0.391  -5.932 -20.705
  712   1HG   MET  91          2HG       MET  91  -2.968  -5.849 -21.603
  713   2HG   MET  91          3HG       MET  91  -3.275  -5.889 -19.886
  714   1HE   MET  91          1HE       MET  91  -1.356  -3.622 -18.378
  715   2HE   MET  91          2HE       MET  91  -2.708  -2.492 -18.656
  716   3HE   MET  91          3HE       MET  91  -3.044  -4.211 -18.369
  717    H    GLU  92           H        GLU  92  -2.162  -6.146 -23.233
  718    HA   GLU  92           HA       GLU  92   0.285  -6.358 -24.698
  719   1HB   GLU  92          2HB       GLU  92  -1.349  -8.370 -25.318
  720   2HB   GLU  92          3HB       GLU  92  -2.204  -7.145 -26.244
  721   1HG   GLU  92          2HG       GLU  92  -0.641  -7.195 -27.889
  722   2HG   GLU  92          3HG       GLU  92   0.670  -6.937 -26.744
  723    H    THR  93           H        THR  93  -0.013  -4.834 -26.763
  724    HA   THR  93           HA       THR  93  -2.061  -2.771 -26.299
  725    HB   THR  93           HB       THR  93   0.953  -2.297 -26.360
  726    HG1  THR  93          1HG       THR  93  -1.057  -2.128 -24.392
  727   1HG2  THR  93          1HG       THR  93  -1.303  -0.242 -26.238
  728   2HG2  THR  93          2HG       THR  93   0.420   0.085 -25.947
  729   3HG2  THR  93          3HG       THR  93  -0.100  -0.434 -27.543
  730    H    LEU  94           H        LEU  94  -2.123  -1.290 -28.176
  731    HA   LEU  94           HA       LEU  94  -2.065  -2.816 -30.666
  732   1HB   LEU  94          2HB       LEU  94  -3.849  -1.057 -29.686
  733   2HB   LEU  94          3HB       LEU  94  -2.736   0.113 -30.384
  734    HG   LEU  94           HG       LEU  94  -3.086  -1.782 -32.456
  735   1HD1  LEU  94          1HD       LEU  94  -5.662  -1.735 -32.613
  736   2HD1  LEU  94          2HD       LEU  94  -4.922  -2.904 -31.509
  737   3HD1  LEU  94          3HD       LEU  94  -5.655  -1.414 -30.874
  738   1HD2  LEU  94          1HD       LEU  94  -4.484   0.061 -33.470
  739   2HD2  LEU  94          2HD       LEU  94  -4.367   0.924 -31.915
  740   3HD2  LEU  94          3HD       LEU  94  -2.899   0.553 -32.854
  741    HHA  HEM  95          MHG       HEM  95  11.724  -0.754   8.748
  742    HHB  HEM  95          MHD       HEM  95   5.361  -0.545   9.512
  743    HHC  HEM  95          MHA       HEM  95   4.650  -0.909   3.124
  744    HHD  HEM  95          MHB       HEM  95  10.978  -0.270   2.340
  745   1HMA  HEM  95          1HM       HEM  95   6.637  -1.662  11.649
  746   2HMA  HEM  95          2HM       HEM  95   7.957  -0.761  12.392
  747   3HMA  HEM  95          3HM       HEM  95   6.619   0.097  11.617
  748   1HAA  HEM  95          1HP       HEM  95  11.095  -1.944  10.688
  749   2HAA  HEM  95          2HP       HEM  95  10.003  -1.586  12.010
  750   1HBA  HEM  95          3HP       HEM  95  10.749   0.618  12.222
  751   2HBA  HEM  95          4HP       HEM  95  11.277   0.697  10.535
  752   1HMB  HEM  95          1HM       HEM  95   3.335  -1.558   8.829
  753   2HMB  HEM  95          2HM       HEM  95   3.030   0.150   8.706
  754   3HMB  HEM  95          3HM       HEM  95   2.040  -1.012   7.756
  755    HAB  HEM  95          AHT       HEM  95   2.691  -1.306   3.955
  756   1HBB  HEM  95          CHV       HEM  95   1.603   0.629   5.841
  757   2HBB  HEM  95          THV       HEM  95   0.614  -0.520   4.766
  758   1HMC  HEM  95          1HM       HEM  95   5.785  -2.208   0.762
  759   2HMC  HEM  95          2HM       HEM  95   4.998  -0.632   0.989
  760   3HMC  HEM  95          3HM       HEM  95   6.250  -0.820  -0.221
  761    HAC  HEM  95          AHT       HEM  95  10.128  -0.646   0.307
  762   1HBC  HEM  95          THV       HEM  95   9.261   0.539  -1.552
  763   2HBC  HEM  95          CHV       HEM  95   7.611   0.716  -0.736
  764   1HMD  HEM  95          1HM       HEM  95  14.293  -0.371   4.063
  765   2HMD  HEM  95          2HM       HEM  95  13.103  -0.412   2.771
  766   3HMD  HEM  95          3HM       HEM  95  13.443   1.124   3.586
  767   1HAD  HEM  95          1HP       HEM  95  14.360  -1.046   6.604
  768   2HAD  HEM  95          2HP       HEM  95  13.595  -0.208   7.938
  769   1HBD  HEM  95          3HP       HEM  95  14.491   1.753   7.456
  770   2HBD  HEM  95          4HP       HEM  95  14.125   1.649   5.733
  Start of MODEL   33
    1   1H    ASP   1           H1       ASP   1 -12.708 -12.867   2.027
    2   2H    ASP   1           H2       ASP   1 -11.548 -11.742   2.266
    3   3H    ASP   1           H3       ASP   1 -11.578 -13.106   3.203
    4    HA   ASP   1           HA       ASP   1 -12.526 -10.851   4.087
    5   1HB   ASP   1          2HB       ASP   1 -14.174 -11.976   5.475
    6   2HB   ASP   1          3HB       ASP   1 -14.189 -13.385   4.401
    7    H    LYS   2           H        LYS   2 -15.210 -10.305   4.364
    8    HA   LYS   2           HA       LYS   2 -16.039 -10.079   1.564
    9   1HB   LYS   2          2HB       LYS   2 -17.043 -12.193   3.073
   10   2HB   LYS   2          3HB       LYS   2 -18.226 -10.931   3.403
   11   1HG   LYS   2          2HG       LYS   2 -19.178 -11.603   1.440
   12   2HG   LYS   2          3HG       LYS   2 -17.889 -10.689   0.650
   13   1HD   LYS   2          2HD       LYS   2 -16.466 -12.819   0.766
   14   2HD   LYS   2          3HD       LYS   2 -17.927 -13.677   1.276
   15   1HE   LYS   2          2HE       LYS   2 -17.667 -12.035  -1.285
   16   2HE   LYS   2          3HE       LYS   2 -17.427 -13.786  -1.203
   17   1HZ   LYS   2          1HZ       LYS   2 -19.653 -13.244  -1.898
   18   2HZ   LYS   2          2HZ       LYS   2 -19.702 -14.004  -0.441
   19   3HZ   LYS   2          3HZ       LYS   2 -19.933 -12.377  -0.529
   20    H    ASP   3           H        ASP   3 -17.914  -8.504   1.438
   21    HA   ASP   3           HA       ASP   3 -18.525  -6.344   1.769
   22   1HB   ASP   3          2HB       ASP   3 -18.852  -7.690   4.430
   23   2HB   ASP   3          3HB       ASP   3 -19.017  -5.935   4.377
   24    H    VAL   4           H        VAL   4 -16.215  -5.780   1.012
   25    HA   VAL   4           HA       VAL   4 -14.877  -4.283   3.174
   26    HB   VAL   4           HB       VAL   4 -13.332  -5.665   0.975
   27   1HG1  VAL   4          1HG       VAL   4 -12.487  -3.769   2.653
   28   2HG1  VAL   4          2HG       VAL   4 -12.477  -5.077   3.828
   29   3HG1  VAL   4          3HG       VAL   4 -11.476  -5.202   2.370
   30   1HG2  VAL   4          1HG       VAL   4 -12.771  -7.492   2.516
   31   2HG2  VAL   4          2HG       VAL   4 -14.009  -6.913   3.662
   32   3HG2  VAL   4          3HG       VAL   4 -14.474  -7.526   2.057
   33    H    LYS   5           H        LYS   5 -13.038  -3.759   0.687
   34    HA   LYS   5           HA       LYS   5 -14.786  -1.785  -0.663
   35   1HB   LYS   5          2HB       LYS   5 -12.661  -1.169   1.261
   36   2HB   LYS   5          3HB       LYS   5 -12.227  -0.599  -0.325
   37   1HG   LYS   5          2HG       LYS   5 -13.385   1.216   0.296
   38   2HG   LYS   5          3HG       LYS   5 -14.714   0.318  -0.402
   39   1HD   LYS   5          2HD       LYS   5 -15.748   0.529   1.623
   40   2HD   LYS   5          3HD       LYS   5 -14.582  -0.638   2.255
   41   1HE   LYS   5          2HE       LYS   5 -13.186   1.846   2.091
   42   2HE   LYS   5          3HE       LYS   5 -14.784   2.264   2.715
   43   1HZ   LYS   5          1HZ       LYS   5 -12.875   1.585   4.271
   44   2HZ   LYS   5          2HZ       LYS   5 -14.392   1.019   4.597
   45   3HZ   LYS   5          3HZ       LYS   5 -13.263   0.047   3.877
   46    H    TYR   6           H        TYR   6 -14.733  -3.602  -2.130
   47    HA   TYR   6           HA       TYR   6 -12.406  -4.476  -3.536
   48   1HB   TYR   6          2HB       TYR   6 -15.377  -4.480  -4.167
   49   2HB   TYR   6          3HB       TYR   6 -14.161  -5.217  -5.195
   50    HD1  TYR   6           HD1      TYR   6 -12.679  -7.060  -4.277
   51    HD2  TYR   6           HD2      TYR   6 -16.241  -5.704  -2.271
   52    HE1  TYR   6           HE1      TYR   6 -12.778  -9.201  -3.011
   53    HE2  TYR   6           HE2      TYR   6 -16.337  -7.820  -0.989
   54    HH   TYR   6           HH       TYR   6 -15.075  -9.827  -0.409
   55    H    TYR   7           H        TYR   7 -11.257  -2.465  -3.975
   56    HA   TYR   7           HA       TYR   7 -12.468  -0.482  -5.709
   57   1HB   TYR   7          2HB       TYR   7  -9.730  -0.983  -4.449
   58   2HB   TYR   7          3HB       TYR   7  -9.976   0.247  -5.582
   59    HD1  TYR   7           HD1      TYR   7 -12.109   1.837  -5.183
   60    HD2  TYR   7           HD2      TYR   7 -10.098  -0.427  -2.127
   61    HE1  TYR   7           HE1      TYR   7 -12.895   3.463  -3.505
   62    HE2  TYR   7           HE2      TYR   7 -10.952   1.184  -0.413
   63    HH   TYR   7           HH       TYR   7 -12.616   4.170  -1.246
   64    H    THR   8           H        THR   8 -11.759  -0.071  -7.863
   65    HA   THR   8           HA       THR   8 -10.988  -2.532  -9.320
   66    HB   THR   8           HB       THR   8 -11.596  -0.875 -11.263
   67    HG1  THR   8          1HG       THR   8 -13.198   0.683 -10.160
   68   1HG2  THR   8          1HG       THR   8 -13.605  -1.752  -9.151
   69   2HG2  THR   8          2HG       THR   8 -14.054  -1.218 -10.786
   70   3HG2  THR   8          3HG       THR   8 -13.058  -2.671 -10.582
   71    H    LEU   9           H        LEU   9  -9.052  -2.578 -10.574
   72    HA   LEU   9           HA       LEU   9  -6.799  -1.368  -9.692
   73   1HB   LEU   9          2HB       LEU   9  -7.292  -1.907 -12.642
   74   2HB   LEU   9          3HB       LEU   9  -5.739  -1.664 -11.860
   75    HG   LEU   9           HG       LEU   9  -5.865  -3.944 -12.049
   76   1HD1  LEU   9          1HD       LEU   9  -5.926  -4.851  -9.864
   77   2HD1  LEU   9          2HD       LEU   9  -5.354  -3.177  -9.684
   78   3HD1  LEU   9          3HD       LEU   9  -7.031  -3.608  -9.257
   79   1HD2  LEU   9          1HD       LEU   9  -8.447  -4.551 -10.772
   80   2HD2  LEU   9          2HD       LEU   9  -8.614  -3.642 -12.304
   81   3HD2  LEU   9          3HD       LEU   9  -7.680  -5.119 -12.262
   82    H    GLU  10           H        GLU  10  -8.783   0.014 -12.316
   83    HA   GLU  10           HA       GLU  10  -7.346   2.257 -12.948
   84   1HB   GLU  10          2HB       GLU  10  -9.800   1.242 -13.537
   85   2HB   GLU  10          3HB       GLU  10 -10.300   2.645 -12.595
   86   1HG   GLU  10          2HG       GLU  10  -9.162   4.161 -14.076
   87   2HG   GLU  10          3HG       GLU  10  -8.263   2.848 -14.854
   88    H    GLU  11           H        GLU  11  -9.550   1.898 -10.154
   89    HA   GLU  11           HA       GLU  11  -9.183   4.522  -9.080
   90   1HB   GLU  11          2HB       GLU  11 -11.048   2.970  -8.422
   91   2HB   GLU  11          3HB       GLU  11  -9.862   1.942  -7.606
   92   1HG   GLU  11          2HG       GLU  11 -10.848   3.350  -5.952
   93   2HG   GLU  11          3HG       GLU  11  -9.185   3.836  -6.147
   94    H    ILE  12           H        ILE  12  -7.486   1.349  -8.299
   95    HA   ILE  12           HA       ILE  12  -5.801   2.496  -6.353
   96    HB   ILE  12           HB       ILE  12  -5.360   0.181  -8.268
   97   1HG1  ILE  12          2HG       ILE  12  -5.710  -0.676  -5.608
   98   2HG1  ILE  12          3HG       ILE  12  -6.857   0.635  -5.771
   99   1HG2  ILE  12          1HG       ILE  12  -3.829   0.497  -5.679
  100   2HG2  ILE  12          2HG       ILE  12  -3.555  -0.616  -7.050
  101   3HG2  ILE  12          3HG       ILE  12  -3.208   1.084  -7.236
  102   1HD1  ILE  12          1HD       ILE  12  -7.951  -1.423  -6.421
  103   2HD1  ILE  12          2HD       ILE  12  -7.594  -0.511  -7.887
  104   3HD1  ILE  12          3HD       ILE  12  -6.565  -1.855  -7.480
  105    H    LYS  13           H        LYS  13  -5.660   2.654  -9.884
  106    HA   LYS  13           HA       LYS  13  -2.942   3.818  -9.874
  107   1HB   LYS  13          2HB       LYS  13  -4.913   3.118 -12.086
  108   2HB   LYS  13          3HB       LYS  13  -3.344   3.871 -12.387
  109   1HG   LYS  13          2HG       LYS  13  -2.211   1.920 -12.132
  110   2HG   LYS  13          3HG       LYS  13  -3.032   1.557 -10.616
  111   1HD   LYS  13          2HD       LYS  13  -3.682  -0.223 -11.992
  112   2HD   LYS  13          3HD       LYS  13  -5.042   0.878 -12.038
  113   1HE   LYS  13          2HE       LYS  13  -4.998   0.523 -14.208
  114   2HE   LYS  13          3HE       LYS  13  -3.850   1.871 -14.164
  115   1HZ   LYS  13          1HZ       LYS  13  -3.053  -0.968 -14.007
  116   2HZ   LYS  13          2HZ       LYS  13  -3.131  -0.143 -15.428
  117   3HZ   LYS  13          3HZ       LYS  13  -2.064   0.325 -14.255
  118    H    LYS  14           H        LYS  14  -5.667   5.034  -8.849
  119    HA   LYS  14           HA       LYS  14  -5.495   7.681 -10.138
  120   1HB   LYS  14          2HB       LYS  14  -7.730   6.229  -9.914
  121   2HB   LYS  14          3HB       LYS  14  -7.663   6.795  -8.240
  122   1HG   LYS  14          2HG       LYS  14  -7.294   9.166  -9.371
  123   2HG   LYS  14          3HG       LYS  14  -7.958   8.388 -10.808
  124   1HD   LYS  14          2HD       LYS  14 -10.092   8.330  -9.926
  125   2HD   LYS  14          3HD       LYS  14  -9.503   7.945  -8.309
  126   1HE   LYS  14          2HE       LYS  14  -8.696  10.222  -7.978
  127   2HE   LYS  14          3HE       LYS  14  -9.403  10.699  -9.536
  128   1HZ   LYS  14          1HZ       LYS  14 -10.911   9.484  -7.307
  129   2HZ   LYS  14          2HZ       LYS  14 -10.843  11.112  -7.581
  130   3HZ   LYS  14          3HZ       LYS  14 -11.553  10.108  -8.685
  131    H    HIS  15           H        HIS  15  -3.654   6.424  -8.021
  132    HA   HIS  15           HA       HIS  15  -3.892   8.601  -6.031
  133   1HB   HIS  15          2HB       HIS  15  -3.021   5.746  -5.523
  134   2HB   HIS  15          3HB       HIS  15  -3.053   7.050  -4.316
  135    HD1  HIS  15           HD1      HIS  15  -5.462   7.696  -3.266
  136    HD2  HIS  15           HD2      HIS  15  -5.400   4.778  -6.287
  137    HE1  HIS  15           HE1      HIS  15  -7.797   6.704  -3.374
  138    H    ASN  16           H        ASN  16  -1.217   7.313  -4.996
  139    HA   ASN  16           HA       ASN  16   0.918   7.764  -5.306
  140   1HB   ASN  16          2HB       ASN  16   2.026   6.979  -7.352
  141   2HB   ASN  16          3HB       ASN  16   0.858   5.800  -6.783
  142   1HD2  ASN  16          1HD       ASN  16  -1.099   5.399  -7.991
  143   2HD2  ASN  16          2HD       ASN  16  -1.241   6.055  -9.623
  144    H    HIS  17           H        HIS  17  -0.530  10.061  -5.223
  145    HA   HIS  17           HA       HIS  17   0.694  11.701  -7.412
  146   1HB   HIS  17          2HB       HIS  17  -1.740  12.357  -5.739
  147   2HB   HIS  17          3HB       HIS  17  -1.089  13.274  -7.095
  148    HD1  HIS  17           HD1      HIS  17  -1.006  11.426  -9.476
  149    HD2  HIS  17           HD2      HIS  17  -3.684  10.826  -6.308
  150    HE1  HIS  17           HE1      HIS  17  -2.963  10.088 -10.422
  151    H    SER  18           H        SER  18  -0.488  12.202  -4.072
  152    HA   SER  18           HA       SER  18   2.052  12.838  -2.951
  153   1HB   SER  18          2HB       SER  18   1.673  15.326  -2.690
  154   2HB   SER  18          3HB       SER  18   2.035  14.826  -4.346
  155    HG   SER  18           HG       SER  18   0.279  16.184  -4.395
  156    H    LYS  19           H        LYS  19  -1.424  13.704  -2.946
  157    HA   LYS  19           HA       LYS  19  -1.479  13.313   0.005
  158   1HB   LYS  19          2HB       LYS  19  -2.878  15.157  -1.898
  159   2HB   LYS  19          3HB       LYS  19  -3.856  14.509  -0.613
  160   1HG   LYS  19          2HG       LYS  19  -1.568  15.261   0.788
  161   2HG   LYS  19          3HG       LYS  19  -1.652  16.473  -0.484
  162   1HD   LYS  19          2HD       LYS  19  -3.087  17.543   0.936
  163   2HD   LYS  19          3HD       LYS  19  -4.296  16.384   0.374
  164   1HE   LYS  19          2HE       LYS  19  -3.404  14.817   2.239
  165   2HE   LYS  19          3HE       LYS  19  -2.535  16.228   2.859
  166   1HZ   LYS  19          1HZ       LYS  19  -5.456  16.141   2.440
  167   2HZ   LYS  19          2HZ       LYS  19  -4.727  15.850   3.884
  168   3HZ   LYS  19          3HZ       LYS  19  -4.605  17.336   3.190
  169    H    SER  20           H        SER  20  -1.323  11.033  -1.542
  170    HA   SER  20           HA       SER  20  -3.291   9.390  -0.494
  171   1HB   SER  20          2HB       SER  20  -4.273  10.771  -2.876
  172   2HB   SER  20          3HB       SER  20  -4.103   9.054  -3.204
  173    HG   SER  20           HG       SER  20  -5.316   8.805  -1.086
  174    H    THR  21           H        THR  21  -1.655   7.936  -0.175
  175    HA   THR  21           HA       THR  21  -0.032   7.125  -2.537
  176    HB   THR  21           HB       THR  21   0.682   6.968   0.429
  177    HG1  THR  21          1HG       THR  21   0.820   9.066  -0.102
  178   1HG2  THR  21          1HG       THR  21   2.985   6.840  -1.033
  179   2HG2  THR  21          2HG       THR  21   2.127   5.470  -0.311
  180   3HG2  THR  21          3HG       THR  21   1.860   5.861  -2.022
  181    H    TRP  22           H        TRP  22  -1.623   5.563  -3.258
  182    HA   TRP  22           HA       TRP  22  -2.434   3.567  -1.236
  183   1HB   TRP  22          2HB       TRP  22  -3.318   4.260  -4.021
  184   2HB   TRP  22          3HB       TRP  22  -3.598   2.646  -3.417
  185    HD1  TRP  22           HD1      TRP  22  -3.831   5.523  -0.947
  186    HE1  TRP  22           HE1      TRP  22  -6.220   5.777  -0.146
  187    HE3  TRP  22           HE3      TRP  22  -6.003   2.297  -4.210
  188    HZ2  TRP  22           HZ2      TRP  22  -8.881   4.973  -1.150
  189    HZ3  TRP  22           HZ3      TRP  22  -8.469   2.127  -4.375
  190    HH2  TRP  22           HH2      TRP  22  -9.900   3.509  -2.894
  191    H    LEU  23           H        LEU  23  -2.123   1.253  -1.856
  192    HA   LEU  23           HA       LEU  23  -0.337   0.588  -4.009
  193   1HB   LEU  23          2HB       LEU  23   1.554  -0.198  -2.639
  194   2HB   LEU  23          3HB       LEU  23   1.353   1.524  -2.521
  195    HG   LEU  23           HG       LEU  23   0.044   1.158  -0.329
  196   1HD1  LEU  23          1HD       LEU  23   1.154  -1.547  -0.981
  197   2HD1  LEU  23          2HD       LEU  23   1.029  -1.033   0.725
  198   3HD1  LEU  23          3HD       LEU  23  -0.416  -1.156  -0.267
  199   1HD2  LEU  23          1HD       LEU  23   2.111   2.145  -0.077
  200   2HD2  LEU  23          2HD       LEU  23   2.415   0.625   0.786
  201   3HD2  LEU  23          3HD       LEU  23   2.995   0.829  -0.870
  202    H    ILE  24           H        ILE  24   0.277  -1.853  -3.719
  203    HA   ILE  24           HA       ILE  24  -2.053  -3.203  -2.541
  204    HB   ILE  24           HB       ILE  24  -0.485  -3.975  -5.050
  205   1HG1  ILE  24          2HG       ILE  24  -1.826  -2.071  -5.556
  206   2HG1  ILE  24          3HG       ILE  24  -2.529  -3.535  -6.231
  207   1HG2  ILE  24          1HG       ILE  24  -2.591  -5.380  -3.437
  208   2HG2  ILE  24          2HG       ILE  24  -2.656  -5.517  -5.203
  209   3HG2  ILE  24          3HG       ILE  24  -1.207  -6.030  -4.351
  210   1HD1  ILE  24          1HD       ILE  24  -3.556  -1.702  -4.110
  211   2HD1  ILE  24          2HD       ILE  24  -4.461  -2.638  -5.306
  212   3HD1  ILE  24          3HD       ILE  24  -3.861  -3.430  -3.837
  213    H    LEU  25           H        LEU  25  -1.180  -3.861  -0.637
  214    HA   LEU  25           HA       LEU  25   1.278  -5.507  -0.763
  215   1HB   LEU  25          2HB       LEU  25   0.094  -3.645   1.252
  216   2HB   LEU  25          3HB       LEU  25   0.967  -5.048   1.881
  217    HG   LEU  25           HG       LEU  25   2.126  -3.114  -0.152
  218   1HD1  LEU  25          1HD       LEU  25   2.967  -1.886   1.562
  219   2HD1  LEU  25          2HD       LEU  25   1.554  -2.511   2.424
  220   3HD1  LEU  25          3HD       LEU  25   3.142  -3.306   2.629
  221   1HD2  LEU  25          1HD       LEU  25   3.315  -5.372   1.450
  222   2HD2  LEU  25          2HD       LEU  25   3.158  -5.184  -0.305
  223   3HD2  LEU  25          3HD       LEU  25   4.254  -4.128   0.555
  224    H    HIS  26           H        HIS  26   0.483  -7.452  -1.306
  225    HA   HIS  26           HA       HIS  26  -0.299  -9.528  -0.950
  226   1HB   HIS  26          2HB       HIS  26  -0.544  -8.481   1.897
  227   2HB   HIS  26          3HB       HIS  26  -1.280  -9.999   1.450
  228    HD1  HIS  26           HD1      HIS  26   0.279 -12.026   0.895
  229    HD2  HIS  26           HD2      HIS  26   2.200  -8.426   1.955
  230    HE1  HIS  26           HE1      HIS  26   2.742 -12.599   1.315
  231    H    HIS  27           H        HIS  27  -1.918  -8.539  -2.607
  232    HA   HIS  27           HA       HIS  27  -4.031  -8.270  -3.327
  233   1HB   HIS  27          2HB       HIS  27  -5.625 -10.101  -2.666
  234   2HB   HIS  27          3HB       HIS  27  -4.084 -10.658  -3.277
  235    HD1  HIS  27           HD1      HIS  27  -6.336 -11.070  -0.341
  236    HD2  HIS  27           HD2      HIS  27  -2.265 -11.555  -1.287
  237    HE1  HIS  27           HE1      HIS  27  -5.338 -12.681   1.411
  238    H    LYS  28           H        LYS  28  -3.462  -6.393  -1.434
  239    HA   LYS  28           HA       LYS  28  -6.115  -5.791  -0.373
  240   1HB   LYS  28          2HB       LYS  28  -3.632  -6.371   1.222
  241   2HB   LYS  28          3HB       LYS  28  -4.672  -5.047   1.746
  242   1HG   LYS  28          2HG       LYS  28  -6.198  -6.453   2.622
  243   2HG   LYS  28          3HG       LYS  28  -6.265  -7.428   1.179
  244   1HD   LYS  28          2HD       LYS  28  -4.693  -8.927   1.867
  245   2HD   LYS  28          3HD       LYS  28  -3.874  -7.776   2.958
  246   1HE   LYS  28          2HE       LYS  28  -5.802  -7.893   4.476
  247   2HE   LYS  28          3HE       LYS  28  -6.636  -8.997   3.362
  248   1HZ   LYS  28          1HZ       LYS  28  -3.958  -9.662   4.350
  249   2HZ   LYS  28          2HZ       LYS  28  -5.268  -9.958   5.307
  250   3HZ   LYS  28          3HZ       LYS  28  -5.142 -10.669   3.825
  251    H    VAL  29           H        VAL  29  -6.216  -3.481   0.176
  252    HA   VAL  29           HA       VAL  29  -4.299  -1.878  -1.411
  253    HB   VAL  29           HB       VAL  29  -7.306  -1.982  -1.216
  254   1HG1  VAL  29          1HG       VAL  29  -7.378   0.312  -2.190
  255   2HG1  VAL  29          2HG       VAL  29  -7.043   0.118  -0.458
  256   3HG1  VAL  29          3HG       VAL  29  -5.716   0.551  -1.565
  257   1HG2  VAL  29          1HG       VAL  29  -5.593  -1.110  -3.477
  258   2HG2  VAL  29          2HG       VAL  29  -5.935  -2.851  -3.151
  259   3HG2  VAL  29          3HG       VAL  29  -7.261  -1.723  -3.519
  260    H    TYR  30           H        TYR  30  -3.047  -0.652  -0.068
  261    HA   TYR  30           HA       TYR  30  -4.178   0.210   2.537
  262   1HB   TYR  30          2HB       TYR  30  -1.389  -0.372   1.484
  263   2HB   TYR  30          3HB       TYR  30  -1.707   0.408   2.982
  264    HD1  TYR  30           HD1      TYR  30  -2.201  -2.762   1.100
  265    HD2  TYR  30           HD2      TYR  30  -2.382  -0.874   4.954
  266    HE1  TYR  30           HE1      TYR  30  -2.357  -4.952   2.201
  267    HE2  TYR  30           HE2      TYR  30  -2.594  -3.145   6.015
  268    HH   TYR  30           HH       TYR  30  -2.425  -6.135   4.153
  269    H    ASP  31           H        ASP  31  -3.363   2.328   3.261
  270    HA   ASP  31           HA       ASP  31  -2.741   4.180   1.020
  271   1HB   ASP  31          2HB       ASP  31  -5.123   4.201   2.020
  272   2HB   ASP  31          3HB       ASP  31  -4.392   4.976   3.428
  273    H    LEU  32           H        LEU  32  -0.525   4.143   1.462
  274    HA   LEU  32           HA       LEU  32   0.374   4.744   4.211
  275   1HB   LEU  32          2HB       LEU  32   1.991   4.155   1.709
  276   2HB   LEU  32          3HB       LEU  32   2.575   4.392   3.357
  277    HG   LEU  32           HG       LEU  32   1.286   2.024   2.110
  278   1HD1  LEU  32          1HD       LEU  32   3.136   1.048   2.951
  279   2HD1  LEU  32          2HD       LEU  32   3.608   2.612   3.535
  280   3HD1  LEU  32          3HD       LEU  32   2.719   1.575   4.609
  281   1HD2  LEU  32          1HD       LEU  32   0.556   2.766   4.949
  282   2HD2  LEU  32          2HD       LEU  32  -0.520   2.299   3.607
  283   3HD2  LEU  32          3HD       LEU  32   0.536   1.102   4.326
  284    H    THR  33           H        THR  33  -1.150   6.691   2.963
  285    HA   THR  33           HA       THR  33   0.607   8.831   1.976
  286    HB   THR  33           HB       THR  33  -2.135   8.299   1.819
  287    HG1  THR  33          1HG       THR  33  -1.829  10.439   0.723
  288   1HG2  THR  33          1HG       THR  33  -3.172  10.415   2.368
  289   2HG2  THR  33          2HG       THR  33  -2.593   9.646   3.830
  290   3HG2  THR  33          3HG       THR  33  -1.625  10.964   3.091
  291    H    LYS  34           H        LYS  34  -1.334   8.306   4.994
  292    HA   LYS  34           HA       LYS  34  -0.099  10.655   6.157
  293   1HB   LYS  34          2HB       LYS  34  -1.646  10.365   7.794
  294   2HB   LYS  34          3HB       LYS  34  -2.453   9.499   6.525
  295   1HG   LYS  34          2HG       LYS  34  -2.726   7.935   8.124
  296   2HG   LYS  34          3HG       LYS  34  -1.129   7.388   7.632
  297   1HD   LYS  34          2HD       LYS  34  -0.094   8.493   9.543
  298   2HD   LYS  34          3HD       LYS  34  -1.528   9.483   9.818
  299   1HE   LYS  34          2HE       LYS  34  -2.327   6.725   9.883
  300   2HE   LYS  34          3HE       LYS  34  -0.868   6.875  10.876
  301   1HZ   LYS  34          1HZ       LYS  34  -3.284   7.386  11.780
  302   2HZ   LYS  34          2HZ       LYS  34  -1.941   8.142  12.364
  303   3HZ   LYS  34          3HZ       LYS  34  -2.903   8.899  11.264
  304    H    PHE  35           H        PHE  35   0.965   7.531   5.496
  305    HA   PHE  35           HA       PHE  35   2.587   7.277   7.920
  306   1HB   PHE  35          2HB       PHE  35   1.157   5.410   6.980
  307   2HB   PHE  35          3HB       PHE  35   2.188   5.401   5.577
  308    HD1  PHE  35          1HD       PHE  35   3.042   5.603   9.304
  309    HD2  PHE  35          2HD       PHE  35   3.503   3.531   5.558
  310    HE1  PHE  35          1HE       PHE  35   4.662   4.094  10.350
  311    HE2  PHE  35          2HE       PHE  35   5.067   1.985   6.601
  312    HZ   PHE  35           HZ       PHE  35   5.722   2.285   9.022
  313    H    LEU  36           H        LEU  36   2.672   8.431   4.658
  314    HA   LEU  36           HA       LEU  36   5.095   7.724   3.667
  315   1HB   LEU  36          2HB       LEU  36   3.489  10.289   3.641
  316   2HB   LEU  36          3HB       LEU  36   5.142  10.373   3.095
  317    HG   LEU  36           HG       LEU  36   2.948   8.697   1.864
  318   1HD1  LEU  36          1HD       LEU  36   3.816  10.239  -0.118
  319   2HD1  LEU  36          2HD       LEU  36   2.580  10.743   1.033
  320   3HD1  LEU  36          3HD       LEU  36   4.244  11.305   1.244
  321   1HD2  LEU  36          1HD       LEU  36   5.081   8.457   0.158
  322   2HD2  LEU  36          2HD       LEU  36   5.894   8.405   1.729
  323   3HD2  LEU  36          3HD       LEU  36   4.575   7.282   1.371
  324    H    GLU  37           H        GLU  37   5.088  10.879   5.348
  325    HA   GLU  37           HA       GLU  37   7.877  10.521   6.039
  326   1HB   GLU  37          2HB       GLU  37   5.727  12.480   6.906
  327   2HB   GLU  37          3HB       GLU  37   7.432  12.637   7.367
  328   1HG   GLU  37          2HG       GLU  37   8.133  13.186   5.230
  329   2HG   GLU  37          3HG       GLU  37   6.843  12.290   4.434
  330    H    GLU  38           H        GLU  38   5.170   9.056   7.364
  331    HA   GLU  38           HA       GLU  38   6.244   9.028  10.110
  332   1HB   GLU  38          2HB       GLU  38   3.654   9.210   9.018
  333   2HB   GLU  38          3HB       GLU  38   3.747   7.572   9.625
  334   1HG   GLU  38          2HG       GLU  38   4.753   9.715  11.457
  335   2HG   GLU  38          3HG       GLU  38   3.037   9.752  11.088
  336    H    HIS  39           HN       HIS  39   7.097   7.462   7.404
  337    HA   HIS  39           HA       HIS  39   6.856   4.755   8.441
  338   1HB   HIS  39          2HB       HIS  39   6.291   5.025   6.140
  339   2HB   HIS  39          3HB       HIS  39   7.803   5.818   5.807
  340    HD1  HIS  39           HND      HIS  39   9.032   4.204   4.252
  341    HD2  HIS  39           HD       HIS  39   7.144   2.201   7.387
  342    HE1  HIS  39           HE       HIS  39   9.530   1.821   3.916
  343    HA   PRO  40           HA       PRO  40  11.032   5.436  10.038
  344   1HB   PRO  40          2HB       PRO  40  11.266   2.999  11.366
  345   2HB   PRO  40          3HB       PRO  40  10.443   4.449  11.995
  346   1HG   PRO  40          2HG       PRO  40   9.244   1.964  10.904
  347   2HG   PRO  40          3HG       PRO  40   8.564   3.128  12.069
  348   1HD   PRO  40          2HD       PRO  40   8.000   2.920   9.296
  349   2HD   PRO  40          3HD       PRO  40   7.498   4.235  10.404
  350    H    GLY  41           H        GLY  41  11.754   5.420   7.764
  351   1HA   GLY  41          2HA       GLY  41  13.879   3.745   7.280
  352   2HA   GLY  41          3HA       GLY  41  12.506   2.918   6.511
  353    H    GLY  42           H        GLY  42  11.043   4.536   5.176
  354   1HA   GLY  42          2HA       GLY  42  12.529   6.664   3.855
  355   2HA   GLY  42          3HA       GLY  42  12.212   5.236   2.838
  356    H    GLU  43           H        GLU  43  11.084   7.144   1.898
  357    HA   GLU  43           HA       GLU  43   8.134   6.973   2.484
  358   1HB   GLU  43          2HB       GLU  43   9.705   9.483   1.740
  359   2HB   GLU  43          3HB       GLU  43   7.965   9.348   1.861
  360   1HG   GLU  43          2HG       GLU  43   8.127   9.960   3.976
  361   2HG   GLU  43          3HG       GLU  43   8.808   8.351   4.307
  362    H    GLU  44           H        GLU  44  10.683   7.827   0.135
  363    HA   GLU  44           HA       GLU  44   8.945   8.093  -2.146
  364   1HB   GLU  44          2HB       GLU  44  10.848   7.986  -3.475
  365   2HB   GLU  44          3HB       GLU  44  11.389   8.779  -1.990
  366   1HG   GLU  44          2HG       GLU  44  11.892   5.820  -2.632
  367   2HG   GLU  44          3HG       GLU  44  12.980   7.109  -2.988
  368    H    VAL  45           H        VAL  45  10.617   5.329  -0.611
  369    HA   VAL  45           HA       VAL  45  10.060   3.395  -2.586
  370    HB   VAL  45           HB       VAL  45   9.952   1.804  -0.658
  371   1HG1  VAL  45          1HG       VAL  45  12.268   3.729  -0.510
  372   2HG1  VAL  45          2HG       VAL  45  12.253   2.001  -0.074
  373   3HG1  VAL  45          3HG       VAL  45  12.043   2.486  -1.765
  374   1HG2  VAL  45          1HG       VAL  45   9.382   4.155   0.932
  375   2HG2  VAL  45          2HG       VAL  45   9.418   2.446   1.397
  376   3HG2  VAL  45          3HG       VAL  45  10.891   3.414   1.480
  377    H    LEU  46           H        LEU  46   7.892   5.129  -0.590
  378    HA   LEU  46           HA       LEU  46   5.774   2.916  -0.795
  379   1HB   LEU  46          2HB       LEU  46   5.363   5.746   0.126
  380   2HB   LEU  46          3HB       LEU  46   4.358   4.307   0.443
  381    HG   LEU  46           HG       LEU  46   7.025   5.138   1.601
  382   1HD1  LEU  46          1HD       LEU  46   5.806   5.401   3.473
  383   2HD1  LEU  46          2HD       LEU  46   4.367   5.111   2.478
  384   3HD1  LEU  46          3HD       LEU  46   5.164   3.732   3.305
  385   1HD2  LEU  46          1HD       LEU  46   7.188   2.614   0.913
  386   2HD2  LEU  46          2HD       LEU  46   7.515   3.092   2.579
  387   3HD2  LEU  46          3HD       LEU  46   5.983   2.316   2.136
  388    H    ARG  47           H        ARG  47   6.759   5.880  -2.385
  389    HA   ARG  47           HA       ARG  47   4.444   6.022  -4.170
  390   1HB   ARG  47          2HB       ARG  47   7.051   7.544  -3.943
  391   2HB   ARG  47          3HB       ARG  47   5.953   7.758  -5.306
  392   1HG   ARG  47          2HG       ARG  47   4.575   9.075  -4.109
  393   2HG   ARG  47          3HG       ARG  47   4.399   7.843  -2.860
  394   1HD   ARG  47          2HD       ARG  47   5.270   9.700  -1.737
  395   2HD   ARG  47          3HD       ARG  47   6.654   8.608  -1.933
  396    HE   ARG  47           HE       ARG  47   6.538  10.385  -4.144
  397   1HH1  ARG  47          2HH       ARG  47   7.165  10.449  -0.671
  398   2HH1  ARG  47          1HH       ARG  47   8.121  11.884  -0.686
  399   1HH2  ARG  47          2HH       ARG  47   7.821  12.323  -4.221
  400   2HH2  ARG  47          1HH       ARG  47   8.508  12.974  -2.777
  401    H    GLU  48           H        GLU  48   7.721   4.675  -4.221
  402    HA   GLU  48           HA       GLU  48   7.861   4.326  -7.075
  403   1HB   GLU  48          2HB       GLU  48   9.516   3.917  -4.722
  404   2HB   GLU  48          3HB       GLU  48   9.491   2.420  -5.616
  405   1HG   GLU  48          2HG       GLU  48   9.912   4.895  -7.264
  406   2HG   GLU  48          3HG       GLU  48  11.161   4.574  -6.072
  407    H    GLN  49           H        GLN  49   6.416   2.588  -4.405
  408    HA   GLN  49           HA       GLN  49   5.603   0.419  -6.287
  409   1HB   GLN  49          2HB       GLN  49   5.746   0.534  -3.245
  410   2HB   GLN  49          3HB       GLN  49   5.156  -0.836  -4.207
  411   1HG   GLN  49          2HG       GLN  49   7.995   0.298  -4.299
  412   2HG   GLN  49          3HG       GLN  49   7.478  -1.169  -3.467
  413   1HE2  GLN  49          1HE       GLN  49   9.491  -1.060  -5.665
  414   2HE2  GLN  49          2HE       GLN  49   8.778  -2.190  -6.824
  415    H    ALA  50           H        ALA  50   4.499   3.283  -4.901
  416    HA   ALA  50           HA       ALA  50   1.915   2.678  -4.136
  417   1HB   ALA  50          1HB       ALA  50   2.724   4.923  -3.837
  418   2HB   ALA  50          2HB       ALA  50   2.951   5.125  -5.597
  419   3HB   ALA  50          3HB       ALA  50   1.325   5.002  -4.862
  420    H    GLY  51           H        GLY  51  -0.095   2.863  -5.220
  421   1HA   GLY  51          2HA       GLY  51  -1.551   2.030  -6.693
  422   2HA   GLY  51          3HA       GLY  51  -0.709   3.014  -7.905
  423    H    GLY  52           H        GLY  52   0.868   0.287  -6.153
  424   1HA   GLY  52          2HA       GLY  52   0.826  -1.464  -8.495
  425   2HA   GLY  52          3HA       GLY  52   2.358  -0.681  -8.016
  426    H    ASP  53           H        ASP  53   2.818  -3.229  -7.729
  427    HA   ASP  53           HA       ASP  53   1.680  -4.369  -5.325
  428   1HB   ASP  53          2HB       ASP  53   3.485  -6.158  -6.336
  429   2HB   ASP  53          3HB       ASP  53   1.757  -6.099  -6.650
  430    H    ALA  54           H        ALA  54   2.576  -3.400  -3.581
  431    HA   ALA  54           HA       ALA  54   5.516  -3.004  -3.573
  432   1HB   ALA  54          1HB       ALA  54   5.077  -1.424  -2.060
  433   2HB   ALA  54          2HB       ALA  54   3.344  -1.700  -2.305
  434   3HB   ALA  54          3HB       ALA  54   4.209  -2.552  -1.019
  435    H    THR  55           H        THR  55   3.456  -5.628  -3.065
  436    HA   THR  55           HA       THR  55   4.302  -6.727  -0.640
  437    HB   THR  55           HB       THR  55   3.575  -8.210  -3.209
  438    HG1  THR  55          1HG       THR  55   2.003  -6.634  -3.018
  439   1HG2  THR  55          1HG       THR  55   3.342  -9.975  -1.846
  440   2HG2  THR  55          2HG       THR  55   3.962  -9.010  -0.491
  441   3HG2  THR  55          3HG       THR  55   2.222  -9.052  -0.827
  442    H    GLU  56           H        GLU  56   5.685  -7.063  -3.914
  443    HA   GLU  56           HA       GLU  56   7.662  -8.981  -3.307
  444   1HB   GLU  56          2HB       GLU  56   8.852  -7.943  -5.256
  445   2HB   GLU  56          3HB       GLU  56   7.172  -8.343  -5.577
  446   1HG   GLU  56          2HG       GLU  56   6.745  -6.241  -6.217
  447   2HG   GLU  56          3HG       GLU  56   7.135  -5.646  -4.610
  448    H    ASN  57           H        ASN  57   7.453  -5.571  -2.464
  449    HA   ASN  57           HA       ASN  57  10.275  -5.474  -1.575
  450   1HB   ASN  57          2HB       ASN  57   8.009  -3.484  -1.758
  451   2HB   ASN  57          3HB       ASN  57   9.143  -3.297  -0.421
  452   1HD2  ASN  57          1HD       ASN  57   9.357  -4.135  -3.940
  453   2HD2  ASN  57          2HD       ASN  57  10.647  -3.055  -4.250
  454    H    PHE  58           H        PHE  58   7.092  -4.954  -0.127
  455    HA   PHE  58           HA       PHE  58   7.868  -5.047   2.615
  456   1HB   PHE  58          2HB       PHE  58   5.607  -4.713   2.069
  457   2HB   PHE  58          3HB       PHE  58   5.442  -6.351   1.401
  458    HD1  PHE  58          1HD       PHE  58   5.397  -4.280   4.440
  459    HD2  PHE  58          2HD       PHE  58   5.320  -8.324   2.919
  460    HE1  PHE  58          1HE       PHE  58   4.528  -5.089   6.614
  461    HE2  PHE  58          2HE       PHE  58   4.476  -9.125   5.095
  462    HZ   PHE  58           HZ       PHE  58   4.076  -7.511   6.941
  463    H    GLU  59           H        GLU  59   7.610  -7.945   0.581
  464    HA   GLU  59           HA       GLU  59   8.215  -9.860   2.683
  465   1HB   GLU  59          2HB       GLU  59   7.758  -9.844  -0.284
  466   2HB   GLU  59          3HB       GLU  59   8.735 -11.153   0.342
  467   1HG   GLU  59          2HG       GLU  59   6.169 -10.500   1.791
  468   2HG   GLU  59          3HG       GLU  59   6.076 -11.346   0.242
  469    H    ASP  60           H        ASP  60  10.126  -8.628  -0.185
  470    HA   ASP  60           HA       ASP  60  12.475 -10.027   0.363
  471   1HB   ASP  60          2HB       ASP  60  11.716  -8.102  -1.475
  472   2HB   ASP  60          3HB       ASP  60  12.895  -7.216  -0.549
  473    H    VAL  61           H        VAL  61  11.438  -6.882   1.555
  474    HA   VAL  61           HA       VAL  61  13.687  -6.101   3.072
  475    HB   VAL  61           HB       VAL  61  10.714  -5.624   3.556
  476   1HG1  VAL  61          1HG       VAL  61  12.372  -3.513   4.647
  477   2HG1  VAL  61          2HG       VAL  61  11.204  -4.549   5.477
  478   3HG1  VAL  61          3HG       VAL  61  12.889  -5.034   5.353
  479   1HG2  VAL  61          1HG       VAL  61  12.863  -3.989   2.154
  480   2HG2  VAL  61          2HG       VAL  61  11.362  -4.599   1.464
  481   3HG2  VAL  61          3HG       VAL  61  11.294  -3.313   2.658
  482    H    GLY  62           H        GLY  62  10.831  -8.129   3.983
  483   1HA   GLY  62          2HA       GLY  62  10.898  -9.932   5.484
  484   2HA   GLY  62          3HA       GLY  62  12.548  -9.487   5.954
  485    H    HIS  63           HN       HIS  63   9.655  -7.414   5.853
  486    HA   HIS  63           HA       HIS  63  10.324  -5.794   7.840
  487   1HB   HIS  63          2HB       HIS  63   7.645  -6.626   6.725
  488   2HB   HIS  63          3HB       HIS  63   7.601  -5.632   8.150
  489    HD1  HIS  63           HND      HIS  63   8.872  -5.409   4.574
  490    HD2  HIS  63           HD       HIS  63   7.881  -3.039   7.893
  491    HE1  HIS  63           HE       HIS  63   8.907  -3.016   3.763
  492    H    SER  64           H        SER  64   9.419  -5.251   9.943
  493    HA   SER  64           HA       SER  64   9.444  -7.458  11.809
  494   1HB   SER  64          2HB       SER  64   9.236  -5.697  13.475
  495   2HB   SER  64          3HB       SER  64  10.408  -5.196  12.253
  496    HG   SER  64           HG       SER  64   9.091  -3.671  11.609
  497    H    THR  65           H        THR  65   7.656  -7.536  13.560
  498    HA   THR  65           HA       THR  65   5.132  -7.986  12.291
  499    HB   THR  65           HB       THR  65   6.163  -8.014  15.149
  500    HG1  THR  65          1HG       THR  65   5.664 -10.065  13.252
  501   1HG2  THR  65          1HG       THR  65   4.257  -9.093  15.900
  502   2HG2  THR  65          2HG       THR  65   3.574  -7.830  14.884
  503   3HG2  THR  65          3HG       THR  65   3.680  -9.489  14.259
  504    H    ASP  66           H        ASP  66   6.467  -5.404  14.326
  505    HA   ASP  66           HA       ASP  66   4.074  -4.059  15.048
  506   1HB   ASP  66          2HB       ASP  66   6.925  -3.580  15.149
  507   2HB   ASP  66          3HB       ASP  66   6.180  -2.165  14.425
  508    H    ALA  67           H        ALA  67   5.930  -4.229  12.078
  509    HA   ALA  67           HA       ALA  67   4.591  -2.093  10.683
  510   1HB   ALA  67          1HB       ALA  67   6.055  -2.649   9.048
  511   2HB   ALA  67          2HB       ALA  67   6.819  -3.709  10.231
  512   3HB   ALA  67          3HB       ALA  67   5.646  -4.355   9.062
  513    H    ARG  68           H        ARG  68   4.233  -5.680  10.505
  514    HA   ARG  68           HA       ARG  68   2.084  -5.802   8.872
  515   1HB   ARG  68          2HB       ARG  68   2.569  -7.427  11.418
  516   2HB   ARG  68          3HB       ARG  68   1.367  -7.867  10.215
  517   1HG   ARG  68          2HG       ARG  68   2.934  -8.371   8.584
  518   2HG   ARG  68          3HG       ARG  68   4.190  -7.343   9.282
  519   1HD   ARG  68          2HD       ARG  68   5.121  -9.129  10.170
  520   2HD   ARG  68          3HD       ARG  68   3.758  -9.268  11.277
  521    HE   ARG  68           HE       ARG  68   4.368 -10.875   8.938
  522   1HH1  ARG  68          2HH       ARG  68   1.794  -9.860  11.131
  523   2HH1  ARG  68          1HH       ARG  68   0.755 -11.199  10.812
  524   1HH2  ARG  68          2HH       ARG  68   2.996 -12.685   8.470
  525   2HH2  ARG  68          1HH       ARG  68   1.466 -12.853   9.251
  526    H    GLU  69           H        GLU  69   2.115  -4.530  12.246
  527    HA   GLU  69           HA       GLU  69  -0.779  -4.634  12.680
  528   1HB   GLU  69          2HB       GLU  69   1.601  -3.514  14.185
  529   2HB   GLU  69          3HB       GLU  69   0.005  -2.841  14.497
  530   1HG   GLU  69          2HG       GLU  69  -0.789  -5.273  14.757
  531   2HG   GLU  69          3HG       GLU  69   0.931  -5.691  14.881
  532    H    LEU  70           H        LEU  70   1.565  -1.850  12.099
  533    HA   LEU  70           HA       LEU  70  -0.394   0.071  11.817
  534   1HB   LEU  70          2HB       LEU  70   2.393  -0.420  10.745
  535   2HB   LEU  70          3HB       LEU  70   1.409   0.688   9.878
  536    HG   LEU  70           HG       LEU  70   2.590   2.097  11.177
  537   1HD1  LEU  70          1HD       LEU  70   0.990   3.227  12.497
  538   2HD1  LEU  70          2HD       LEU  70   0.069   2.358  11.256
  539   3HD1  LEU  70          3HD       LEU  70   0.159   1.707  12.922
  540   1HD2  LEU  70          1HD       LEU  70   2.696  -0.150  12.930
  541   2HD2  LEU  70          2HD       LEU  70   3.664   1.338  12.970
  542   3HD2  LEU  70          3HD       LEU  70   2.135   1.233  13.877
  543    H    SER  71           H        SER  71   0.540  -2.502   9.529
  544    HA   SER  71           HA       SER  71  -0.842  -1.568   7.325
  545   1HB   SER  71          2HB       SER  71  -0.485  -3.590   6.475
  546   2HB   SER  71          3HB       SER  71   0.396  -3.894   7.962
  547    HG   SER  71           HG       SER  71  -1.398  -4.895   8.816
  548    H    LYS  72           H        LYS  72  -2.251  -3.067  10.207
  549    HA   LYS  72           HA       LYS  72  -4.908  -3.250   9.223
  550   1HB   LYS  72          2HB       LYS  72  -3.587  -4.183  11.389
  551   2HB   LYS  72          3HB       LYS  72  -4.358  -2.801  12.163
  552   1HG   LYS  72          2HG       LYS  72  -5.937  -4.774  10.451
  553   2HG   LYS  72          3HG       LYS  72  -5.540  -5.136  12.134
  554   1HD   LYS  72          2HD       LYS  72  -6.694  -3.173  12.932
  555   2HD   LYS  72          3HD       LYS  72  -7.034  -2.625  11.281
  556   1HE   LYS  72          2HE       LYS  72  -8.440  -4.506  10.818
  557   2HE   LYS  72          3HE       LYS  72  -7.977  -5.299  12.336
  558   1HZ   LYS  72          1HZ       LYS  72  -9.527  -2.803  12.058
  559   2HZ   LYS  72          2HZ       LYS  72 -10.081  -4.252  12.619
  560   3HZ   LYS  72          3HZ       LYS  72  -8.983  -3.392  13.494
  561    H    THR  73           H        THR  73  -3.082  -0.500  10.597
  562    HA   THR  73           HA       THR  73  -5.569   1.084  10.640
  563    HB   THR  73           HB       THR  73  -3.682   1.027  12.440
  564    HG1  THR  73          1HG       THR  73  -4.979   3.334  11.466
  565   1HG2  THR  73          1HG       THR  73  -1.997   2.581  12.331
  566   2HG2  THR  73          2HG       THR  73  -2.000   2.020  10.637
  567   3HG2  THR  73          3HG       THR  73  -2.774   3.544  11.066
  568    H    PHE  74           H        PHE  74  -4.114   0.096   8.135
  569    HA   PHE  74           HA       PHE  74  -3.991   2.702   6.677
  570   1HB   PHE  74          2HB       PHE  74  -2.078   0.344   6.657
  571   2HB   PHE  74          3HB       PHE  74  -2.098   1.540   5.352
  572    HD1  PHE  74          1HD       PHE  74   0.237   0.703   6.928
  573    HD2  PHE  74          2HD       PHE  74  -2.579   3.935   7.454
  574    HE1  PHE  74          1HE       PHE  74   1.927   2.029   8.212
  575    HE2  PHE  74          2HE       PHE  74  -0.957   5.121   8.865
  576    HZ   PHE  74           HZ       PHE  74   1.223   4.084   9.351
  577    H    ILE  75           H        ILE  75  -4.620  -0.827   6.475
  578    HA   ILE  75           HA       ILE  75  -5.276  -0.930   3.792
  579    HB   ILE  75           HB       ILE  75  -5.299  -2.635   5.989
  580   1HG1  ILE  75          2HG       ILE  75  -6.365  -3.309   3.233
  581   2HG1  ILE  75          3HG       ILE  75  -4.676  -3.004   3.560
  582   1HG2  ILE  75          1HG       ILE  75  -7.659  -2.192   6.503
  583   2HG2  ILE  75          2HG       ILE  75  -8.105  -2.601   4.816
  584   3HG2  ILE  75          3HG       ILE  75  -7.447  -3.831   5.906
  585   1HD1  ILE  75          1HD       ILE  75  -4.791  -5.340   3.866
  586   2HD1  ILE  75          2HD       ILE  75  -4.949  -4.765   5.513
  587   3HD1  ILE  75          3HD       ILE  75  -6.393  -5.270   4.605
  588    H    ILE  76           H        ILE  76  -6.677   0.179   2.691
  589    HA   ILE  76           HA       ILE  76  -9.044   1.335   4.098
  590    HB   ILE  76           HB       ILE  76  -9.169   2.948   2.286
  591   1HG1  ILE  76          2HG       ILE  76  -6.906   3.143   0.876
  592   2HG1  ILE  76          3HG       ILE  76  -6.742   1.450   1.187
  593   1HG2  ILE  76          1HG       ILE  76  -7.447   4.327   3.041
  594   2HG2  ILE  76          2HG       ILE  76  -7.757   3.229   4.411
  595   3HG2  ILE  76          3HG       ILE  76  -6.362   2.964   3.352
  596   1HD1  ILE  76          1HD       ILE  76  -8.923   1.052   0.141
  597   2HD1  ILE  76          2HD       ILE  76  -9.227   2.811   0.073
  598   3HD1  ILE  76          3HD       ILE  76  -7.948   2.063  -0.907
  599    H    GLY  77           H        GLY  77  -8.215  -1.396   2.337
  600   1HA   GLY  77          2HA       GLY  77 -10.615  -2.542   2.024
  601   2HA   GLY  77          3HA       GLY  77 -10.537  -1.449   0.612
  602    H    GLU  78           H        GLU  78 -10.455  -3.332  -0.859
  603    HA   GLU  78           HA       GLU  78  -7.724  -4.331  -1.130
  604   1HB   GLU  78          2HB       GLU  78 -10.137  -6.197  -1.117
  605   2HB   GLU  78          3HB       GLU  78  -8.452  -6.620  -1.495
  606   1HG   GLU  78          2HG       GLU  78  -7.855  -5.834   0.855
  607   2HG   GLU  78          3HG       GLU  78  -9.572  -5.679   1.179
  608    H    LEU  79           H        LEU  79  -7.323  -5.004  -3.382
  609    HA   LEU  79           HA       LEU  79  -9.199  -3.591  -5.157
  610   1HB   LEU  79          2HB       LEU  79  -7.643  -3.685  -6.827
  611   2HB   LEU  79          3HB       LEU  79  -6.749  -3.258  -5.363
  612    HG   LEU  79           HG       LEU  79  -6.843  -5.950  -6.777
  613   1HD1  LEU  79          1HD       LEU  79  -5.358  -3.647  -7.321
  614   2HD1  LEU  79          2HD       LEU  79  -4.258  -4.678  -6.425
  615   3HD1  LEU  79          3HD       LEU  79  -5.013  -5.295  -7.882
  616   1HD2  LEU  79          1HD       LEU  79  -5.462  -5.097  -4.185
  617   2HD2  LEU  79          2HD       LEU  79  -6.499  -6.527  -4.466
  618   3HD2  LEU  79          3HD       LEU  79  -4.877  -6.457  -5.148
  619    H    HIS  80           H        HIS  80 -10.065  -4.632  -7.058
  620    HA   HIS  80           HA       HIS  80 -11.489  -6.937  -6.642
  621   1HB   HIS  80          2HB       HIS  80 -10.465  -5.768  -9.245
  622   2HB   HIS  80          3HB       HIS  80 -11.535  -7.163  -9.166
  623    HD1  HIS  80           HD1      HIS  80 -13.397  -5.680 -10.453
  624    HD2  HIS  80           HD2      HIS  80 -12.284  -4.445  -6.584
  625    HE1  HIS  80           HE1      HIS  80 -15.262  -4.105  -9.581
  626    HA   PRO  81           HA       PRO  81  -8.195  -9.845  -6.792
  627   1HB   PRO  81          2HB       PRO  81  -9.669 -12.190  -6.382
  628   2HB   PRO  81          3HB       PRO  81  -9.134 -11.064  -5.101
  629   1HG   PRO  81          2HG       PRO  81 -11.852 -11.387  -6.302
  630   2HG   PRO  81          3HG       PRO  81 -11.385 -10.791  -4.680
  631   1HD   PRO  81          2HD       PRO  81 -12.150  -9.213  -6.909
  632   2HD   PRO  81          3HD       PRO  81 -11.373  -8.630  -5.402
  633    H    ASP  82           H        ASP  82 -11.161 -10.443  -8.665
  634    HA   ASP  82           HA       ASP  82 -10.258 -12.400 -10.454
  635   1HB   ASP  82          2HB       ASP  82 -12.607 -11.354 -10.146
  636   2HB   ASP  82          3HB       ASP  82 -12.056 -10.044 -11.190
  637    H    ASP  83           H        ASP  83 -10.040  -8.862 -10.569
  638    HA   ASP  83           HA       ASP  83  -8.384  -8.969 -12.993
  639   1HB   ASP  83          2HB       ASP  83  -9.269  -6.511 -11.480
  640   2HB   ASP  83          3HB       ASP  83  -8.737  -6.658 -13.187
  641    H    ARG  84           H        ARG  84  -7.300 -10.063 -10.515
  642    HA   ARG  84           HA       ARG  84  -5.142  -8.053  -9.923
  643   1HB   ARG  84          2HB       ARG  84  -6.793  -9.035  -8.115
  644   2HB   ARG  84          3HB       ARG  84  -5.744 -10.439  -8.182
  645   1HG   ARG  84          2HG       ARG  84  -3.954  -8.273  -7.985
  646   2HG   ARG  84          3HG       ARG  84  -5.349  -7.745  -7.049
  647   1HD   ARG  84          2HD       ARG  84  -4.300  -8.848  -5.379
  648   2HD   ARG  84          3HD       ARG  84  -5.119 -10.254  -6.035
  649    HE   ARG  84           HE       ARG  84  -2.281  -9.440  -6.337
  650   1HH1  ARG  84          2HH       ARG  84  -4.721 -11.879  -7.141
  651   2HH1  ARG  84          1HH       ARG  84  -3.574 -13.059  -7.680
  652   1HH2  ARG  84          2HH       ARG  84  -0.753 -11.005  -7.040
  653   2HH2  ARG  84          1HH       ARG  84  -1.275 -12.568  -7.550
  654    H    SER  85           H        SER  85  -5.814 -11.436 -10.744
  655    HA   SER  85           HA       SER  85  -2.889 -11.839 -11.170
  656   1HB   SER  85          2HB       SER  85  -4.600 -13.253  -9.486
  657   2HB   SER  85          3HB       SER  85  -4.545 -14.279 -10.914
  658    HG   SER  85           HG       SER  85  -2.087 -13.274 -10.098
  659    H    LYS  86           H        LYS  86  -4.768 -10.550 -12.993
  660    HA   LYS  86           HA       LYS  86  -4.957 -12.600 -15.130
  661   1HB   LYS  86          2HB       LYS  86  -6.920 -11.008 -14.130
  662   2HB   LYS  86          3HB       LYS  86  -6.365  -9.960 -15.426
  663   1HG   LYS  86          2HG       LYS  86  -6.952 -12.930 -15.854
  664   2HG   LYS  86          3HG       LYS  86  -8.236 -11.743 -15.833
  665   1HD   LYS  86          2HD       LYS  86  -6.191 -10.773 -17.642
  666   2HD   LYS  86          3HD       LYS  86  -6.493 -12.467 -18.010
  667   1HE   LYS  86          2HE       LYS  86  -8.347 -11.811 -19.125
  668   2HE   LYS  86          3HE       LYS  86  -9.056 -11.398 -17.563
  669   1HZ   LYS  86          1HZ       LYS  86  -7.709  -9.621 -19.460
  670   2HZ   LYS  86          2HZ       LYS  86  -9.193  -9.458 -18.757
  671   3HZ   LYS  86          3HZ       LYS  86  -7.833  -9.204 -17.871
  672    H    LEU  87           H        LEU  87  -2.441 -11.773 -14.595
  673    HA   LEU  87           HA       LEU  87  -1.823  -9.803 -16.752
  674   1HB   LEU  87          2HB       LEU  87  -0.031 -10.539 -14.413
  675   2HB   LEU  87          3HB       LEU  87   0.250  -9.328 -15.649
  676    HG   LEU  87           HG       LEU  87  -2.185  -8.480 -14.636
  677   1HD1  LEU  87          1HD       LEU  87  -1.435  -8.428 -12.039
  678   2HD1  LEU  87          2HD       LEU  87  -2.500  -9.646 -12.723
  679   3HD1  LEU  87          3HD       LEU  87  -0.784 -10.008 -12.469
  680   1HD2  LEU  87          1HD       LEU  87  -0.730  -6.805 -15.026
  681   2HD2  LEU  87          2HD       LEU  87  -0.558  -6.864 -13.272
  682   3HD2  LEU  87          3HD       LEU  87   0.663  -7.632 -14.294
  683    H    SER  88           H        SER  88   0.684 -10.418 -17.355
  684    HA   SER  88           HA       SER  88   2.017 -11.766 -18.546
  685   1HB   SER  88          2HB       SER  88   2.215 -12.991 -16.421
  686   2HB   SER  88          3HB       SER  88   0.848 -14.015 -16.877
  687    HG   SER  88           HG       SER  88   2.513 -14.162 -18.891
  688    H    LYS  89           H        LYS  89   1.013 -11.322 -20.592
  689    HA   LYS  89           HA       LYS  89   0.069 -13.713 -21.760
  690   1HB   LYS  89          2HB       LYS  89  -2.007 -12.302 -20.575
  691   2HB   LYS  89          3HB       LYS  89  -2.029 -11.603 -22.176
  692   1HG   LYS  89          2HG       LYS  89  -3.083 -13.462 -22.975
  693   2HG   LYS  89          3HG       LYS  89  -1.719 -14.460 -22.485
  694   1HD   LYS  89          2HD       LYS  89  -2.782 -14.278 -20.075
  695   2HD   LYS  89          3HD       LYS  89  -4.267 -13.932 -20.987
  696   1HE   LYS  89          2HE       LYS  89  -4.201 -16.060 -22.064
  697   2HE   LYS  89          3HE       LYS  89  -2.473 -16.263 -21.734
  698   1HZ   LYS  89          1HZ       LYS  89  -2.968 -16.497 -19.411
  699   2HZ   LYS  89          2HZ       LYS  89  -4.585 -16.349 -19.685
  700   3HZ   LYS  89          3HZ       LYS  89  -3.762 -17.645 -20.284
  701    HA   PRO  90           HA       PRO  90   2.026 -11.235 -24.926
  702   1HB   PRO  90          2HB       PRO  90   1.620 -12.933 -27.110
  703   2HB   PRO  90          3HB       PRO  90   2.925 -13.094 -25.901
  704   1HG   PRO  90          2HG       PRO  90   0.467 -14.736 -26.206
  705   2HG   PRO  90          3HG       PRO  90   2.015 -15.135 -25.406
  706   1HD   PRO  90          2HD       PRO  90  -0.432 -14.320 -24.188
  707   2HD   PRO  90          3HD       PRO  90   1.150 -14.567 -23.381
  708    H    MET  91           H        MET  91   1.332  -9.703 -26.503
  709    HA   MET  91           HA       MET  91  -1.481  -9.885 -27.393
  710   1HB   MET  91          2HB       MET  91  -1.123  -8.375 -25.306
  711   2HB   MET  91          3HB       MET  91  -0.220  -7.299 -26.381
  712   1HG   MET  91          2HG       MET  91  -2.800  -8.189 -27.512
  713   2HG   MET  91          3HG       MET  91  -2.997  -7.374 -25.977
  714   1HE   MET  91          1HE       MET  91  -3.196  -5.188 -25.575
  715   2HE   MET  91          2HE       MET  91  -1.497  -4.680 -25.728
  716   3HE   MET  91          3HE       MET  91  -2.778  -3.796 -26.593
  717    H    GLU  92           H        GLU  92  -1.835  -8.749 -29.429
  718    HA   GLU  92           HA       GLU  92   0.292  -7.288 -30.700
  719   1HB   GLU  92          2HB       GLU  92   0.695  -8.860 -32.540
  720   2HB   GLU  92          3HB       GLU  92   1.255  -9.508 -31.018
  721   1HG   GLU  92          2HG       GLU  92  -0.092 -11.298 -31.119
  722   2HG   GLU  92          3HG       GLU  92  -1.518 -10.362 -31.518
  723    H    THR  93           H        THR  93  -2.221  -6.347 -30.239
  724    HA   THR  93           HA       THR  93  -4.066  -5.484 -31.237
  725    HB   THR  93           HB       THR  93  -2.630  -6.336 -33.779
  726    HG1  THR  93          1HG       THR  93  -2.182  -4.211 -33.798
  727   1HG2  THR  93          1HG       THR  93  -4.090  -5.171 -35.133
  728   2HG2  THR  93          2HG       THR  93  -5.107  -6.283 -34.225
  729   3HG2  THR  93          3HG       THR  93  -5.054  -4.560 -33.765
  730    H    LEU  94           H        LEU  94  -6.233  -6.094 -31.886
  731    HA   LEU  94           HA       LEU  94  -6.752  -8.975 -32.082
  732   1HB   LEU  94          2HB       LEU  94  -7.259  -7.345 -29.718
  733   2HB   LEU  94          3HB       LEU  94  -8.790  -7.707 -30.488
  734    HG   LEU  94           HG       LEU  94  -8.291  -9.340 -28.811
  735   1HD1  LEU  94          1HD       LEU  94  -8.875 -11.271 -29.987
  736   2HD1  LEU  94          2HD       LEU  94  -9.393  -9.966 -31.075
  737   3HD1  LEU  94          3HD       LEU  94  -7.900 -10.843 -31.412
  738   1HD2  LEU  94          1HD       LEU  94  -6.272 -10.232 -28.413
  739   2HD2  LEU  94          2HD       LEU  94  -6.074 -10.768 -30.093
  740   3HD2  LEU  94          3HD       LEU  94  -5.623  -9.126 -29.635
  741    HHA  HEM  95          MHG       HEM  95  11.723  -0.303   8.544
  742    HHB  HEM  95          MHD       HEM  95   5.360  -0.183   9.323
  743    HHC  HEM  95          MHA       HEM  95   4.635  -1.100   3.035
  744    HHD  HEM  95          MHB       HEM  95  10.945  -0.395   2.151
  745   1HMA  HEM  95          1HM       HEM  95   6.844   0.687  11.533
  746   2HMA  HEM  95          2HM       HEM  95   6.393  -1.004  11.277
  747   3HMA  HEM  95          3HM       HEM  95   7.846  -0.632  12.176
  748   1HAA  HEM  95          1HP       HEM  95   9.954  -0.457  11.902
  749   2HAA  HEM  95          2HP       HEM  95  11.158   0.216  10.815
  750   1HBA  HEM  95          3HP       HEM  95  11.816  -1.939  10.011
  751   2HBA  HEM  95          4HP       HEM  95  10.352  -2.697  10.604
  752   1HMB  HEM  95          1HM       HEM  95   3.201   0.400   8.589
  753   2HMB  HEM  95          2HM       HEM  95   2.019  -0.458   7.548
  754   3HMB  HEM  95          3HM       HEM  95   3.103  -1.351   8.625
  755    HAB  HEM  95          AHT       HEM  95   2.660  -1.119   3.841
  756   1HBB  HEM  95          CHV       HEM  95   2.134  -3.003   5.902
  757   2HBB  HEM  95          THV       HEM  95   0.860  -2.229   4.820
  758   1HMC  HEM  95          1HM       HEM  95   4.968  -1.465   1.038
  759   2HMC  HEM  95          2HM       HEM  95   5.885  -0.646  -0.161
  760   3HMC  HEM  95          3HM       HEM  95   6.246  -2.357   0.229
  761    HAC  HEM  95          AHT       HEM  95  10.137  -0.700   0.189
  762   1HBC  HEM  95          THV       HEM  95   9.196  -0.117  -1.836
  763   2HBC  HEM  95          CHV       HEM  95   7.536   0.113  -1.087
  764   1HMD  HEM  95          1HM       HEM  95  13.038  -0.338   2.514
  765   2HMD  HEM  95          2HM       HEM  95  13.468   1.142   3.385
  766   3HMD  HEM  95          3HM       HEM  95  14.266  -0.398   3.762
  767   1HAD  HEM  95          1HP       HEM  95  13.538   0.412   7.653
  768   2HAD  HEM  95          2HP       HEM  95  14.113   1.072   6.144
  769   1HBD  HEM  95          3HP       HEM  95  15.761  -0.471   6.465
  770   2HBD  HEM  95          4HP       HEM  95  14.626  -1.532   5.622
  Start of MODEL   34
    1   1H    ASP   1           H1       ASP   1 -20.581  -9.819  -4.430
    2   2H    ASP   1           H2       ASP   1 -21.493 -10.953  -3.692
    3   3H    ASP   1           H3       ASP   1 -21.677 -10.697  -5.316
    4    HA   ASP   1           HA       ASP   1 -23.108  -8.872  -3.280
    5   1HB   ASP   1          2HB       ASP   1 -24.375  -9.939  -5.027
    6   2HB   ASP   1          3HB       ASP   1 -23.465 -11.258  -4.347
    7    H    LYS   2           H        LYS   2 -21.890  -6.757  -3.296
    8    HA   LYS   2           HA       LYS   2 -20.574  -7.717  -0.877
    9   1HB   LYS   2          2HB       LYS   2 -18.342  -7.014  -1.525
   10   2HB   LYS   2          3HB       LYS   2 -18.925  -8.224  -2.658
   11   1HG   LYS   2          2HG       LYS   2 -19.703  -5.823  -3.886
   12   2HG   LYS   2          3HG       LYS   2 -18.170  -5.400  -3.119
   13   1HD   LYS   2          2HD       LYS   2 -17.162  -7.444  -4.258
   14   2HD   LYS   2          3HD       LYS   2 -18.714  -7.679  -5.069
   15   1HE   LYS   2          2HE       LYS   2 -18.148  -4.962  -5.486
   16   2HE   LYS   2          3HE       LYS   2 -16.557  -5.719  -5.606
   17   1HZ   LYS   2          1HZ       LYS   2 -17.730  -5.588  -7.716
   18   2HZ   LYS   2          2HZ       LYS   2 -17.390  -7.145  -7.316
   19   3HZ   LYS   2          3HZ       LYS   2 -18.927  -6.560  -7.147
   20    H    ASP   3           H        ASP   3 -19.960  -6.034   0.546
   21    HA   ASP   3           HA       ASP   3 -20.806  -3.285  -0.186
   22   1HB   ASP   3          2HB       ASP   3 -22.577  -4.721   1.047
   23   2HB   ASP   3          3HB       ASP   3 -21.524  -4.597   2.460
   24    H    VAL   4           H        VAL   4 -18.141  -4.171  -0.215
   25    HA   VAL   4           HA       VAL   4 -17.034  -3.138   2.339
   26    HB   VAL   4           HB       VAL   4 -15.586  -5.062   0.524
   27   1HG1  VAL   4          1HG       VAL   4 -14.762  -3.566   2.726
   28   2HG1  VAL   4          2HG       VAL   4 -15.203  -5.104   3.464
   29   3HG1  VAL   4          3HG       VAL   4 -14.003  -5.067   2.161
   30   1HG2  VAL   4          1HG       VAL   4 -16.283  -6.826   2.267
   31   2HG2  VAL   4          2HG       VAL   4 -17.620  -5.725   2.665
   32   3HG2  VAL   4          3HG       VAL   4 -17.461  -6.391   1.023
   33    H    LYS   5           H        LYS   5 -14.506  -3.405   0.455
   34    HA   LYS   5           HA       LYS   5 -14.846  -0.795  -0.957
   35   1HB   LYS   5          2HB       LYS   5 -12.862  -1.484   1.210
   36   2HB   LYS   5          3HB       LYS   5 -12.449  -0.365  -0.096
   37   1HG   LYS   5          2HG       LYS   5 -13.246   1.148   1.410
   38   2HG   LYS   5          3HG       LYS   5 -14.710   0.804   0.500
   39   1HD   LYS   5          2HD       LYS   5 -14.977  -1.099   2.406
   40   2HD   LYS   5          3HD       LYS   5 -13.917   0.003   3.294
   41   1HE   LYS   5          2HE       LYS   5 -15.499   1.871   2.788
   42   2HE   LYS   5          3HE       LYS   5 -16.528   0.740   1.887
   43   1HZ   LYS   5          1HZ       LYS   5 -15.935   0.588   4.773
   44   2HZ   LYS   5          2HZ       LYS   5 -17.362   1.060   4.096
   45   3HZ   LYS   5          3HZ       LYS   5 -16.860  -0.492   3.930
   46    H    TYR   6           H        TYR   6 -15.193  -2.502  -2.567
   47    HA   TYR   6           HA       TYR   6 -12.889  -4.013  -3.529
   48   1HB   TYR   6          2HB       TYR   6 -15.813  -3.805  -4.246
   49   2HB   TYR   6          3HB       TYR   6 -14.671  -4.461  -5.400
   50    HD1  TYR   6           HD1      TYR   6 -13.982  -6.692  -5.326
   51    HD2  TYR   6           HD2      TYR   6 -15.845  -4.932  -1.867
   52    HE1  TYR   6           HE1      TYR   6 -14.181  -8.946  -4.278
   53    HE2  TYR   6           HE2      TYR   6 -15.974  -7.169  -0.791
   54    HH   TYR   6           HH       TYR   6 -15.409  -9.457  -0.991
   55    H    TYR   7           H        TYR   7 -11.412  -2.288  -4.079
   56    HA   TYR   7           HA       TYR   7 -12.309  -0.283  -6.005
   57   1HB   TYR   7          2HB       TYR   7  -9.730  -0.931  -4.507
   58   2HB   TYR   7          3HB       TYR   7  -9.874   0.353  -5.626
   59    HD1  TYR   7           HD1      TYR   7 -10.032  -0.337  -2.212
   60    HD2  TYR   7           HD2      TYR   7 -12.099   1.924  -5.244
   61    HE1  TYR   7           HE1      TYR   7 -10.959   1.186  -0.481
   62    HE2  TYR   7           HE2      TYR   7 -12.997   3.444  -3.528
   63    HH   TYR   7           HH       TYR   7 -12.287   4.194  -1.153
   64    H    THR   8           H        THR   8 -11.285  -0.066  -8.135
   65    HA   THR   8           HA       THR   8 -10.439  -2.674  -9.262
   66    HB   THR   8           HB       THR   8 -10.835  -1.184 -11.423
   67    HG1  THR   8          1HG       THR   8 -12.306   0.466 -11.033
   68   1HG2  THR   8          1HG       THR   8 -12.890  -2.328  -9.523
   69   2HG2  THR   8          2HG       THR   8 -13.394  -1.625 -11.069
   70   3HG2  THR   8          3HG       THR   8 -12.285  -3.014 -11.049
   71    H    LEU   9           H        LEU   9  -8.570  -2.691 -10.703
   72    HA   LEU   9           HA       LEU   9  -6.289  -1.588  -9.571
   73   1HB   LEU   9          2HB       LEU   9  -6.453  -2.238 -12.538
   74   2HB   LEU   9          3HB       LEU   9  -5.035  -2.206 -11.510
   75    HG   LEU   9           HG       LEU   9  -5.480  -4.459 -11.792
   76   1HD1  LEU   9          1HD       LEU   9  -6.901  -3.874  -9.165
   77   2HD1  LEU   9          2HD       LEU   9  -5.948  -5.307  -9.600
   78   3HD1  LEU   9          3HD       LEU   9  -5.140  -3.743  -9.398
   79   1HD2  LEU   9          1HD       LEU   9  -8.152  -3.646 -12.260
   80   2HD2  LEU   9          2HD       LEU   9  -7.475  -5.230 -12.428
   81   3HD2  LEU   9          3HD       LEU   9  -8.221  -4.781 -10.877
   82    H    GLU  10           H        GLU  10  -8.132  -0.310 -12.333
   83    HA   GLU  10           HA       GLU  10  -6.446   1.924 -12.861
   84   1HB   GLU  10          2HB       GLU  10  -8.492   2.867 -13.927
   85   2HB   GLU  10          3HB       GLU  10  -8.070   1.248 -14.487
   86   1HG   GLU  10          2HG       GLU  10  -9.961   0.286 -13.637
   87   2HG   GLU  10          3HG       GLU  10  -9.986   1.279 -12.193
   88    H    GLU  11           H        GLU  11  -8.882   1.368 -10.376
   89    HA   GLU  11           HA       GLU  11  -9.205   4.084  -9.517
   90   1HB   GLU  11          2HB       GLU  11 -10.508   1.737  -9.064
   91   2HB   GLU  11          3HB       GLU  11  -9.559   1.824  -7.585
   92   1HG   GLU  11          2HG       GLU  11 -11.623   3.769  -8.668
   93   2HG   GLU  11          3HG       GLU  11 -11.694   2.814  -7.190
   94    H    ILE  12           H        ILE  12  -7.171   1.272  -8.391
   95    HA   ILE  12           HA       ILE  12  -6.002   2.765  -6.290
   96    HB   ILE  12           HB       ILE  12  -4.850   0.450  -7.889
   97   1HG1  ILE  12          2HG       ILE  12  -5.815  -0.117  -5.192
   98   2HG1  ILE  12          3HG       ILE  12  -7.056   0.666  -6.078
   99   1HG2  ILE  12          1HG       ILE  12  -4.034   0.861  -4.999
  100   2HG2  ILE  12          2HG       ILE  12  -3.083   0.333  -6.400
  101   3HG2  ILE  12          3HG       ILE  12  -3.435   2.055  -6.072
  102   1HD1  ILE  12          1HD       ILE  12  -5.629  -1.524  -7.556
  103   2HD1  ILE  12          2HD       ILE  12  -6.555  -1.977  -6.128
  104   3HD1  ILE  12          3HD       ILE  12  -7.372  -1.184  -7.426
  105    H    LYS  13           H        LYS  13  -4.881   2.164  -9.633
  106    HA   LYS  13           HA       LYS  13  -2.533   3.813  -9.354
  107   1HB   LYS  13          2HB       LYS  13  -4.055   2.937 -11.838
  108   2HB   LYS  13          3HB       LYS  13  -2.420   3.610 -11.848
  109   1HG   LYS  13          2HG       LYS  13  -1.441   1.714 -10.970
  110   2HG   LYS  13          3HG       LYS  13  -2.881   1.201 -10.098
  111   1HD   LYS  13          2HD       LYS  13  -3.058  -0.356 -11.712
  112   2HD   LYS  13          3HD       LYS  13  -3.843   0.928 -12.615
  113   1HE   LYS  13          2HE       LYS  13  -2.223  -0.009 -14.077
  114   2HE   LYS  13          3HE       LYS  13  -1.542   1.540 -13.550
  115   1HZ   LYS  13          1HZ       LYS  13  -0.189   0.354 -11.964
  116   2HZ   LYS  13          2HZ       LYS  13  -0.901  -1.073 -12.326
  117   3HZ   LYS  13          3HZ       LYS  13   0.041  -0.330 -13.452
  118    H    LYS  14           H        LYS  14  -5.889   4.619  -9.672
  119    HA   LYS  14           HA       LYS  14  -5.637   7.107 -11.028
  120   1HB   LYS  14          2HB       LYS  14  -7.695   5.600  -9.870
  121   2HB   LYS  14          3HB       LYS  14  -7.617   7.005  -8.824
  122   1HG   LYS  14          2HG       LYS  14  -7.759   8.355 -11.046
  123   2HG   LYS  14          3HG       LYS  14  -8.105   6.785 -11.812
  124   1HD   LYS  14          2HD       LYS  14  -9.899   6.558  -9.865
  125   2HD   LYS  14          3HD       LYS  14  -9.713   8.307  -9.750
  126   1HE   LYS  14          2HE       LYS  14 -11.458   8.149 -11.264
  127   2HE   LYS  14          3HE       LYS  14 -10.077   8.222 -12.370
  128   1HZ   LYS  14          1HZ       LYS  14 -10.176   5.758 -12.474
  129   2HZ   LYS  14          2HZ       LYS  14 -11.461   5.748 -11.476
  130   3HZ   LYS  14          3HZ       LYS  14 -11.594   6.418 -12.962
  131    H    HIS  15           H        HIS  15  -4.464   6.052  -7.871
  132    HA   HIS  15           HA       HIS  15  -4.449   8.770  -6.841
  133   1HB   HIS  15          2HB       HIS  15  -3.523   6.107  -5.730
  134   2HB   HIS  15          3HB       HIS  15  -3.449   7.665  -4.892
  135    HD1  HIS  15           HD1      HIS  15  -5.738   8.781  -4.126
  136    HD2  HIS  15           HD2      HIS  15  -5.999   4.984  -5.908
  137    HE1  HIS  15           HE1      HIS  15  -8.090   7.860  -3.596
  138    H    ASN  16           H        ASN  16  -1.722   7.257  -5.716
  139    HA   ASN  16           HA       ASN  16   0.481   7.415  -6.002
  140   1HB   ASN  16          2HB       ASN  16   0.186   8.059  -8.901
  141   2HB   ASN  16          3HB       ASN  16   1.441   7.114  -8.084
  142   1HD2  ASN  16          1HD       ASN  16  -0.254   6.554 -10.472
  143   2HD2  ASN  16          2HD       ASN  16  -1.233   5.178 -10.102
  144    H    HIS  17           H        HIS  17  -1.091   9.805  -5.356
  145    HA   HIS  17           HA       HIS  17   0.760  11.907  -6.344
  146   1HB   HIS  17          2HB       HIS  17  -1.214  13.451  -6.235
  147   2HB   HIS  17          3HB       HIS  17  -1.299  12.235  -7.507
  148    HD1  HIS  17           HD1      HIS  17  -2.805  12.838  -4.000
  149    HD2  HIS  17           HD2      HIS  17  -3.465  10.775  -7.603
  150    HE1  HIS  17           HE1      HIS  17  -5.147  11.766  -3.831
  151    H    SER  18           H        SER  18   1.050  13.640  -4.832
  152    HA   SER  18           HA       SER  18   1.514  12.689  -2.173
  153   1HB   SER  18          2HB       SER  18   2.868  14.335  -3.650
  154   2HB   SER  18          3HB       SER  18   1.742  15.580  -3.094
  155    HG   SER  18           HG       SER  18   2.454  15.265  -1.032
  156    H    LYS  19           H        LYS  19  -0.808  12.176  -1.772
  157    HA   LYS  19           HA       LYS  19  -2.119  14.017  -0.093
  158   1HB   LYS  19          2HB       LYS  19  -2.627  14.782  -2.688
  159   2HB   LYS  19          3HB       LYS  19  -3.900  13.584  -2.449
  160   1HG   LYS  19          2HG       LYS  19  -4.630  14.803  -0.394
  161   2HG   LYS  19          3HG       LYS  19  -3.305  15.957  -0.630
  162   1HD   LYS  19          2HD       LYS  19  -5.329  16.960  -1.446
  163   2HD   LYS  19          3HD       LYS  19  -4.287  16.602  -2.838
  164   1HE   LYS  19          2HE       LYS  19  -5.583  14.654  -3.417
  165   2HE   LYS  19          3HE       LYS  19  -6.487  14.711  -1.894
  166   1HZ   LYS  19          1HZ       LYS  19  -7.533  15.649  -4.028
  167   2HZ   LYS  19          2HZ       LYS  19  -7.719  16.479  -2.621
  168   3HZ   LYS  19          3HZ       LYS  19  -6.617  16.983  -3.735
  169    H    SER  20           H        SER  20  -2.381  11.124  -2.233
  170    HA   SER  20           HA       SER  20  -3.499   9.575  -0.028
  171   1HB   SER  20          2HB       SER  20  -4.959  10.014  -2.642
  172   2HB   SER  20          3HB       SER  20  -5.250   8.635  -1.595
  173    HG   SER  20           HG       SER  20  -5.314  11.043  -0.245
  174    H    THR  21           H        THR  21  -1.034   9.221  -0.638
  175    HA   THR  21           HA       THR  21  -0.345   7.645  -2.918
  176    HB   THR  21           HB       THR  21   0.881   7.869  -0.138
  177    HG1  THR  21          1HG       THR  21   0.669   9.688  -1.806
  178   1HG2  THR  21          1HG       THR  21   1.670   6.230  -2.491
  179   2HG2  THR  21          2HG       THR  21   2.948   7.199  -1.720
  180   3HG2  THR  21          3HG       THR  21   2.015   6.042  -0.755
  181    H    TRP  22           H        TRP  22  -1.773   5.993  -3.354
  182    HA   TRP  22           HA       TRP  22  -2.260   3.933  -1.290
  183   1HB   TRP  22          2HB       TRP  22  -3.466   4.733  -3.952
  184   2HB   TRP  22          3HB       TRP  22  -3.650   3.089  -3.381
  185    HD1  TRP  22           HD1      TRP  22  -3.786   5.727  -0.687
  186    HE1  TRP  22           HE1      TRP  22  -6.160   5.946   0.183
  187    HE3  TRP  22           HE3      TRP  22  -6.103   2.885  -4.204
  188    HZ2  TRP  22           HZ2      TRP  22  -8.838   5.103  -0.689
  189    HZ3  TRP  22           HZ3      TRP  22  -8.591   2.743  -4.286
  190    HH2  TRP  22           HH2      TRP  22  -9.936   3.834  -2.575
  191    H    LEU  23           H        LEU  23  -2.121   1.707  -2.229
  192    HA   LEU  23           HA       LEU  23  -0.374   1.155  -4.453
  193   1HB   LEU  23          2HB       LEU  23   1.467   0.181  -3.103
  194   2HB   LEU  23          3HB       LEU  23   1.325   1.907  -2.881
  195    HG   LEU  23           HG       LEU  23  -0.060   1.431  -0.742
  196   1HD1  LEU  23          1HD       LEU  23  -0.521  -0.923  -0.983
  197   2HD1  LEU  23          2HD       LEU  23   1.171  -1.237  -1.438
  198   3HD1  LEU  23          3HD       LEU  23   0.742  -0.794   0.236
  199   1HD2  LEU  23          1HD       LEU  23   2.213   2.281  -0.614
  200   2HD2  LEU  23          2HD       LEU  23   2.002   0.958   0.540
  201   3HD2  LEU  23          3HD       LEU  23   2.880   0.662  -0.964
  202    H    ILE  24           H        ILE  24   0.121  -1.490  -4.224
  203    HA   ILE  24           HA       ILE  24  -2.283  -2.775  -3.101
  204    HB   ILE  24           HB       ILE  24  -0.430  -3.389  -5.479
  205   1HG1  ILE  24          2HG       ILE  24  -2.038  -2.243  -6.529
  206   2HG1  ILE  24          3HG       ILE  24  -2.836  -3.840  -6.373
  207   1HG2  ILE  24          1HG       ILE  24  -2.706  -5.207  -4.646
  208   2HG2  ILE  24          2HG       ILE  24  -1.467  -5.459  -5.897
  209   3HG2  ILE  24          3HG       ILE  24  -1.013  -5.539  -4.204
  210   1HD1  ILE  24          1HD       ILE  24  -4.026  -2.999  -4.347
  211   2HD1  ILE  24          2HD       ILE  24  -3.424  -1.365  -4.740
  212   3HD1  ILE  24          3HD       ILE  24  -4.435  -2.233  -5.881
  213    H    LEU  25           H        LEU  25  -1.400  -3.123  -1.048
  214    HA   LEU  25           HA       LEU  25   1.005  -4.831  -1.092
  215   1HB   LEU  25          2HB       LEU  25  -0.227  -2.934   0.848
  216   2HB   LEU  25          3HB       LEU  25   0.361  -4.439   1.560
  217    HG   LEU  25           HG       LEU  25   2.035  -2.645  -0.233
  218   1HD1  LEU  25          1HD       LEU  25   2.732  -2.911   2.598
  219   2HD1  LEU  25          2HD       LEU  25   2.642  -1.457   1.561
  220   3HD1  LEU  25          3HD       LEU  25   1.170  -2.086   2.319
  221   1HD2  LEU  25          1HD       LEU  25   2.842  -4.764  -0.407
  222   2HD2  LEU  25          2HD       LEU  25   3.879  -3.962   0.744
  223   3HD2  LEU  25          3HD       LEU  25   2.654  -5.134   1.334
  224    H    HIS  26           H        HIS  26   0.155  -6.638  -1.857
  225    HA   HIS  26           HA       HIS  26  -0.794  -8.680  -1.667
  226   1HB   HIS  26          2HB       HIS  26  -2.306  -7.846   0.851
  227   2HB   HIS  26          3HB       HIS  26  -1.941  -9.454   0.298
  228    HD1  HIS  26           HD1      HIS  26   0.485 -10.444   0.931
  229    HD2  HIS  26           HD2      HIS  26  -0.253  -6.473   2.124
  230    HE1  HIS  26           HE1      HIS  26   2.396  -9.761   2.474
  231    H    HIS  27           H        HIS  27  -3.224  -9.306  -1.302
  232    HA   HIS  27           HA       HIS  27  -5.052  -8.247  -3.193
  233   1HB   HIS  27          2HB       HIS  27  -6.685  -9.818  -2.136
  234   2HB   HIS  27          3HB       HIS  27  -5.224 -10.598  -2.669
  235    HD1  HIS  27           HD1      HIS  27  -3.507 -11.484  -0.625
  236    HD2  HIS  27           HD2      HIS  27  -7.349 -10.071   0.401
  237    HE1  HIS  27           HE1      HIS  27  -3.971 -12.286   1.727
  238    H    LYS  28           H        LYS  28  -4.191  -6.880  -0.222
  239    HA   LYS  28           HA       LYS  28  -6.870  -5.657  -0.067
  240   1HB   LYS  28          2HB       LYS  28  -4.820  -5.960   2.099
  241   2HB   LYS  28          3HB       LYS  28  -6.246  -4.912   2.203
  242   1HG   LYS  28          2HG       LYS  28  -7.575  -6.647   2.668
  243   2HG   LYS  28          3HG       LYS  28  -7.070  -7.525   1.235
  244   1HD   LYS  28          2HD       LYS  28  -6.247  -9.040   2.630
  245   2HD   LYS  28          3HD       LYS  28  -4.902  -7.939   2.942
  246   1HE   LYS  28          2HE       LYS  28  -6.269  -6.960   4.826
  247   2HE   LYS  28          3HE       LYS  28  -7.569  -8.098   4.416
  248   1HZ   LYS  28          1HZ       LYS  28  -5.954  -9.893   4.807
  249   2HZ   LYS  28          2HZ       LYS  28  -4.873  -8.794   5.389
  250   3HZ   LYS  28          3HZ       LYS  28  -6.318  -9.037   6.162
  251    H    VAL  29           H        VAL  29  -6.742  -3.141   0.098
  252    HA   VAL  29           HA       VAL  29  -4.402  -2.214  -1.416
  253    HB   VAL  29           HB       VAL  29  -7.275  -1.311  -1.023
  254   1HG1  VAL  29          1HG       VAL  29  -4.956   0.060  -2.400
  255   2HG1  VAL  29          2HG       VAL  29  -6.670   0.526  -2.592
  256   3HG1  VAL  29          3HG       VAL  29  -5.882   0.626  -1.000
  257   1HG2  VAL  29          1HG       VAL  29  -6.212  -1.603  -3.724
  258   2HG2  VAL  29          2HG       VAL  29  -6.298  -3.127  -2.834
  259   3HG2  VAL  29          3HG       VAL  29  -7.759  -2.116  -3.033
  260    H    TYR  30           H        TYR  30  -3.229  -0.478  -0.467
  261    HA   TYR  30           HA       TYR  30  -4.000   0.144   2.287
  262   1HB   TYR  30          2HB       TYR  30  -1.412  -0.590   0.919
  263   2HB   TYR  30          3HB       TYR  30  -1.433   0.293   2.401
  264    HD1  TYR  30           HD1      TYR  30  -1.163  -0.943   4.363
  265    HD2  TYR  30           HD2      TYR  30  -2.896  -2.898   0.932
  266    HE1  TYR  30           HE1      TYR  30  -1.212  -3.083   5.560
  267    HE2  TYR  30           HE2      TYR  30  -3.009  -4.987   2.177
  268    HH   TYR  30           HH       TYR  30  -2.654  -6.047   4.195
  269    H    ASP  31           H        ASP  31  -3.126   2.273   3.019
  270    HA   ASP  31           HA       ASP  31  -2.662   4.248   0.885
  271   1HB   ASP  31          2HB       ASP  31  -5.093   4.179   1.477
  272   2HB   ASP  31          3HB       ASP  31  -4.679   4.427   3.171
  273    H    LEU  32           H        LEU  32  -0.642   4.798   1.471
  274    HA   LEU  32           HA       LEU  32  -0.094   5.035   4.399
  275   1HB   LEU  32          2HB       LEU  32   2.124   4.843   2.417
  276   2HB   LEU  32          3HB       LEU  32   2.034   4.358   4.096
  277    HG   LEU  32           HG       LEU  32   0.831   2.846   1.767
  278   1HD1  LEU  32          1HD       LEU  32   2.625   1.193   2.532
  279   2HD1  LEU  32          2HD       LEU  32   3.196   2.718   1.810
  280   3HD1  LEU  32          3HD       LEU  32   3.195   2.463   3.595
  281   1HD2  LEU  32          1HD       LEU  32  -0.557   2.341   3.615
  282   2HD2  LEU  32          2HD       LEU  32   0.541   0.986   3.400
  283   3HD2  LEU  32          3HD       LEU  32   0.841   2.146   4.716
  284    H    THR  33           H        THR  33  -1.338   6.993   2.335
  285    HA   THR  33           HA       THR  33   0.533   8.982   1.687
  286    HB   THR  33           HB       THR  33  -1.953   8.679   1.058
  287    HG1  THR  33          1HG       THR  33  -0.636  11.176   1.399
  288   1HG2  THR  33          1HG       THR  33  -2.117  10.835   3.126
  289   2HG2  THR  33          2HG       THR  33  -3.435  10.248   2.084
  290   3HG2  THR  33          3HG       THR  33  -2.761   9.170   3.317
  291    H    LYS  34           H        LYS  34  -1.272   8.660   4.708
  292    HA   LYS  34           HA       LYS  34   0.013  11.127   5.688
  293   1HB   LYS  34          2HB       LYS  34  -2.461   9.798   6.131
  294   2HB   LYS  34          3HB       LYS  34  -1.593   9.629   7.651
  295   1HG   LYS  34          2HG       LYS  34  -1.634  12.330   6.279
  296   2HG   LYS  34          3HG       LYS  34  -3.115  11.759   7.040
  297   1HD   LYS  34          2HD       LYS  34  -1.940  11.426   9.198
  298   2HD   LYS  34          3HD       LYS  34  -0.417  11.918   8.452
  299   1HE   LYS  34          2HE       LYS  34  -1.084  13.861   9.530
  300   2HE   LYS  34          3HE       LYS  34  -1.619  14.141   7.867
  301   1HZ   LYS  34          1HZ       LYS  34  -3.317  13.189  10.093
  302   2HZ   LYS  34          2HZ       LYS  34  -3.305  14.718   9.492
  303   3HZ   LYS  34          3HZ       LYS  34  -3.840  13.473   8.556
  304    H    PHE  35           H        PHE  35   0.987   8.015   5.313
  305    HA   PHE  35           HA       PHE  35   2.537   7.844   7.809
  306   1HB   PHE  35          2HB       PHE  35   0.966   6.017   7.118
  307   2HB   PHE  35          3HB       PHE  35   1.903   5.807   5.665
  308    HD1  PHE  35          1HD       PHE  35   2.766   6.154   9.319
  309    HD2  PHE  35          2HD       PHE  35   3.262   3.876   5.697
  310    HE1  PHE  35          1HE       PHE  35   4.324   4.626  10.480
  311    HE2  PHE  35          2HE       PHE  35   4.653   2.276   6.866
  312    HZ   PHE  35           HZ       PHE  35   5.288   2.659   9.263
  313    H    LEU  36           H        LEU  36   2.729   8.618   4.459
  314    HA   LEU  36           HA       LEU  36   5.255   7.771   3.676
  315   1HB   LEU  36          2HB       LEU  36   3.628  10.315   3.201
  316   2HB   LEU  36          3HB       LEU  36   5.277  10.189   2.571
  317    HG   LEU  36           HG       LEU  36   2.835   8.560   1.823
  318   1HD1  LEU  36          1HD       LEU  36   2.650  10.091   0.234
  319   2HD1  LEU  36          2HD       LEU  36   4.066  10.954   0.831
  320   3HD1  LEU  36          3HD       LEU  36   4.262   9.691  -0.395
  321   1HD2  LEU  36          1HD       LEU  36   4.392   6.876   1.734
  322   2HD2  LEU  36          2HD       LEU  36   4.518   7.542   0.098
  323   3HD2  LEU  36          3HD       LEU  36   5.738   7.959   1.309
  324    H    GLU  37           H        GLU  37   4.786  10.954   5.264
  325    HA   GLU  37           HA       GLU  37   7.625  10.894   5.981
  326   1HB   GLU  37          2HB       GLU  37   5.384  12.895   6.411
  327   2HB   GLU  37          3HB       GLU  37   7.050  13.141   6.989
  328   1HG   GLU  37          2HG       GLU  37   7.938  12.950   4.732
  329   2HG   GLU  37          3HG       GLU  37   6.344  12.559   4.078
  330    H    GLU  38           H        GLU  38   5.774   8.818   7.139
  331    HA   GLU  38           HA       GLU  38   6.518   9.224   9.959
  332   1HB   GLU  38          2HB       GLU  38   3.809   9.171   8.872
  333   2HB   GLU  38          3HB       GLU  38   4.064   7.791   9.930
  334   1HG   GLU  38          2HG       GLU  38   5.160   9.807  11.445
  335   2HG   GLU  38          3HG       GLU  38   3.905  10.681  10.565
  336    H    HIS  39           HN       HIS  39   7.058   7.314   7.274
  337    HA   HIS  39           HA       HIS  39   6.782   4.780   8.658
  338   1HB   HIS  39          2HB       HIS  39   6.091   4.821   6.370
  339   2HB   HIS  39          3HB       HIS  39   7.579   5.590   5.871
  340    HD1  HIS  39           HND      HIS  39   9.132   4.158   4.768
  341    HD2  HIS  39           HD       HIS  39   6.711   1.976   7.371
  342    HE1  HIS  39           HE       HIS  39   9.712   1.760   4.365
  343    HA   PRO  40           HA       PRO  40  11.062   5.201   9.958
  344   1HB   PRO  40          2HB       PRO  40  11.382   2.718  11.134
  345   2HB   PRO  40          3HB       PRO  40  10.534   4.098  11.890
  346   1HG   PRO  40          2HG       PRO  40   9.386   1.692  10.557
  347   2HG   PRO  40          3HG       PRO  40   8.737   2.618  11.939
  348   1HD   PRO  40          2HD       PRO  40   7.904   2.794   9.264
  349   2HD   PRO  40          3HD       PRO  40   7.591   4.026  10.528
  350    H    GLY  41           H        GLY  41  11.973   5.351   7.907
  351   1HA   GLY  41          2HA       GLY  41  13.975   3.796   7.146
  352   2HA   GLY  41          3HA       GLY  41  12.636   2.883   6.422
  353    H    GLY  42           H        GLY  42  11.086   4.239   5.031
  354   1HA   GLY  42          2HA       GLY  42  12.225   6.689   3.940
  355   2HA   GLY  42          3HA       GLY  42  12.350   5.320   2.829
  356    H    GLU  43           H        GLU  43  10.713   7.914   3.062
  357    HA   GLU  43           HA       GLU  43   8.042   6.911   2.484
  358   1HB   GLU  43          2HB       GLU  43   7.467   9.164   1.995
  359   2HB   GLU  43          3HB       GLU  43   8.483   9.132   3.428
  360   1HG   GLU  43          2HG       GLU  43   9.949   9.659   0.883
  361   2HG   GLU  43          3HG       GLU  43   8.778  10.872   1.357
  362    H    GLU  44           H        GLU  44  10.816   7.730   0.446
  363    HA   GLU  44           HA       GLU  44   9.223   8.011  -1.975
  364   1HB   GLU  44          2HB       GLU  44  11.536   8.789  -1.950
  365   2HB   GLU  44          3HB       GLU  44  12.115   7.119  -1.821
  366   1HG   GLU  44          2HG       GLU  44  12.305   7.213  -4.080
  367   2HG   GLU  44          3HG       GLU  44  10.591   6.924  -4.131
  368    H    VAL  45           H        VAL  45  10.938   5.140  -0.562
  369    HA   VAL  45           HA       VAL  45  10.242   3.315  -2.602
  370    HB   VAL  45           HB       VAL  45   9.931   1.706  -0.602
  371   1HG1  VAL  45          1HG       VAL  45  12.503   3.248  -1.028
  372   2HG1  VAL  45          2HG       VAL  45  12.373   1.667  -0.211
  373   3HG1  VAL  45          3HG       VAL  45  11.943   1.821  -1.927
  374   1HG2  VAL  45          1HG       VAL  45  10.233   2.367   1.552
  375   2HG2  VAL  45          2HG       VAL  45  11.349   3.678   1.123
  376   3HG2  VAL  45          3HG       VAL  45   9.602   3.899   0.952
  377    H    LEU  46           H        LEU  46   8.124   5.034  -0.486
  378    HA   LEU  46           HA       LEU  46   5.975   2.847  -0.797
  379   1HB   LEU  46          2HB       LEU  46   5.739   5.572   0.477
  380   2HB   LEU  46          3HB       LEU  46   4.560   4.252   0.539
  381    HG   LEU  46           HG       LEU  46   7.095   4.713   2.044
  382   1HD1  LEU  46          1HD       LEU  46   4.424   4.288   2.769
  383   2HD1  LEU  46          2HD       LEU  46   5.269   2.738   3.211
  384   3HD1  LEU  46          3HD       LEU  46   5.802   4.293   3.838
  385   1HD2  LEU  46          1HD       LEU  46   7.793   2.612   0.927
  386   2HD2  LEU  46          2HD       LEU  46   7.450   2.376   2.611
  387   3HD2  LEU  46          3HD       LEU  46   6.251   1.876   1.356
  388    H    ARG  47           H        ARG  47   7.013   5.879  -2.245
  389    HA   ARG  47           HA       ARG  47   4.585   6.076  -3.858
  390   1HB   ARG  47          2HB       ARG  47   6.056   8.016  -2.921
  391   2HB   ARG  47          3HB       ARG  47   7.157   7.608  -4.252
  392   1HG   ARG  47          2HG       ARG  47   4.928   7.711  -5.702
  393   2HG   ARG  47          3HG       ARG  47   4.296   8.629  -4.341
  394   1HD   ARG  47          2HD       ARG  47   6.081  10.278  -4.556
  395   2HD   ARG  47          3HD       ARG  47   6.911   9.307  -5.776
  396    HE   ARG  47           HE       ARG  47   4.709  11.103  -6.173
  397   1HH1  ARG  47          2HH       ARG  47   6.128   8.099  -7.402
  398   2HH1  ARG  47          1HH       ARG  47   5.447   8.222  -8.978
  399   1HH2  ARG  47          2HH       ARG  47   3.638  11.194  -8.232
  400   2HH2  ARG  47          1HH       ARG  47   4.029  10.065  -9.473
  401    H    GLU  48           H        GLU  48   7.814   4.665  -4.106
  402    HA   GLU  48           HA       GLU  48   7.920   4.515  -6.991
  403   1HB   GLU  48          2HB       GLU  48   9.503   3.636  -4.655
  404   2HB   GLU  48          3HB       GLU  48   9.473   2.404  -5.907
  405   1HG   GLU  48          2HG       GLU  48   9.946   5.050  -7.106
  406   2HG   GLU  48          3HG       GLU  48  11.052   4.800  -5.765
  407    H    GLN  49           H        GLN  49   6.239   2.762  -4.537
  408    HA   GLN  49           HA       GLN  49   5.437   0.692  -6.532
  409   1HB   GLN  49          2HB       GLN  49   5.586   0.680  -3.503
  410   2HB   GLN  49          3HB       GLN  49   4.931  -0.640  -4.499
  411   1HG   GLN  49          2HG       GLN  49   7.801   0.348  -4.804
  412   2HG   GLN  49          3HG       GLN  49   7.315  -0.922  -3.695
  413   1HE2  GLN  49          1HE       GLN  49   8.939  -2.217  -5.212
  414   2HE2  GLN  49          2HE       GLN  49   8.115  -2.974  -6.568
  415    H    ALA  50           H        ALA  50   4.463   3.546  -5.461
  416    HA   ALA  50           HA       ALA  50   1.845   3.190  -4.488
  417   1HB   ALA  50          1HB       ALA  50   3.008   5.363  -6.248
  418   2HB   ALA  50          2HB       ALA  50   1.358   5.408  -5.580
  419   3HB   ALA  50          3HB       ALA  50   2.745   5.379  -4.479
  420    H    GLY  51           H        GLY  51  -0.182   3.068  -5.501
  421   1HA   GLY  51          2HA       GLY  51  -1.614   1.883  -6.878
  422   2HA   GLY  51          3HA       GLY  51  -0.863   2.834  -8.152
  423    H    GLY  52           H        GLY  52   1.131   0.463  -6.316
  424   1HA   GLY  52          2HA       GLY  52   1.018  -1.464  -8.534
  425   2HA   GLY  52          3HA       GLY  52   2.528  -0.601  -8.131
  426    H    ASP  53           H        ASP  53   2.624  -3.284  -7.939
  427    HA   ASP  53           HA       ASP  53   1.547  -4.252  -5.432
  428   1HB   ASP  53          2HB       ASP  53   1.999  -5.433  -7.816
  429   2HB   ASP  53          3HB       ASP  53   3.500  -5.883  -7.022
  430    H    ALA  54           H        ALA  54   2.639  -2.987  -3.839
  431    HA   ALA  54           HA       ALA  54   5.570  -2.965  -3.876
  432   1HB   ALA  54          1HB       ALA  54   5.441  -1.484  -2.159
  433   2HB   ALA  54          2HB       ALA  54   3.782  -1.280  -2.791
  434   3HB   ALA  54          3HB       ALA  54   4.073  -2.305  -1.374
  435    H    THR  55           H        THR  55   3.297  -5.331  -2.996
  436    HA   THR  55           HA       THR  55   4.143  -6.308  -0.576
  437    HB   THR  55           HB       THR  55   3.458  -8.199  -2.848
  438    HG1  THR  55          1HG       THR  55   1.884  -6.895  -3.343
  439   1HG2  THR  55          1HG       THR  55   2.118  -7.843  -0.172
  440   2HG2  THR  55          2HG       THR  55   2.217  -9.319  -1.171
  441   3HG2  THR  55          3HG       THR  55   3.646  -8.743  -0.276
  442    H    GLU  56           H        GLU  56   5.650  -6.787  -3.782
  443    HA   GLU  56           HA       GLU  56   7.407  -8.886  -3.075
  444   1HB   GLU  56          2HB       GLU  56   8.742  -8.164  -4.961
  445   2HB   GLU  56          3HB       GLU  56   7.024  -8.070  -5.379
  446   1HG   GLU  56          2HG       GLU  56   7.115  -5.584  -4.818
  447   2HG   GLU  56          3HG       GLU  56   8.866  -5.749  -4.641
  448    H    ASN  57           H        ASN  57   7.753  -5.320  -2.673
  449    HA   ASN  57           HA       ASN  57  10.413  -5.500  -1.526
  450   1HB   ASN  57          2HB       ASN  57   8.250  -3.365  -1.679
  451   2HB   ASN  57          3HB       ASN  57   9.527  -3.207  -0.487
  452   1HD2  ASN  57          1HD       ASN  57  11.642  -2.636  -1.108
  453   2HD2  ASN  57          2HD       ASN  57  11.986  -2.218  -2.781
  454    H    PHE  58           H        PHE  58   7.142  -4.939  -0.225
  455    HA   PHE  58           HA       PHE  58   7.935  -4.931   2.533
  456   1HB   PHE  58          2HB       PHE  58   5.688  -4.506   1.667
  457   2HB   PHE  58          3HB       PHE  58   5.398  -6.242   1.535
  458    HD1  PHE  58          1HD       PHE  58   5.671  -7.614   3.830
  459    HD2  PHE  58          2HD       PHE  58   5.061  -3.357   3.580
  460    HE1  PHE  58          1HE       PHE  58   4.809  -7.596   6.145
  461    HE2  PHE  58          2HE       PHE  58   4.212  -3.346   5.904
  462    HZ   PHE  58           HZ       PHE  58   4.058  -5.457   7.190
  463    H    GLU  59           H        GLU  59   7.506  -7.856   0.544
  464    HA   GLU  59           HA       GLU  59   7.902  -9.705   2.764
  465   1HB   GLU  59          2HB       GLU  59   7.407  -9.831  -0.191
  466   2HB   GLU  59          3HB       GLU  59   8.286 -11.182   0.487
  467   1HG   GLU  59          2HG       GLU  59   5.680 -10.185   1.699
  468   2HG   GLU  59          3HG       GLU  59   5.740 -11.394   0.414
  469    H    ASP  60           H        ASP  60   9.883  -8.585  -0.033
  470    HA   ASP  60           HA       ASP  60  12.080 -10.274   0.338
  471   1HB   ASP  60          2HB       ASP  60  11.524  -8.371  -1.500
  472   2HB   ASP  60          3HB       ASP  60  12.595  -7.416  -0.488
  473    H    VAL  61           H        VAL  61  11.352  -7.092   1.708
  474    HA   VAL  61           HA       VAL  61  13.749  -6.743   3.216
  475    HB   VAL  61           HB       VAL  61  10.905  -5.756   3.723
  476   1HG1  VAL  61          1HG       VAL  61  12.304  -5.666   5.816
  477   2HG1  VAL  61          2HG       VAL  61  13.490  -4.690   4.936
  478   3HG1  VAL  61          3HG       VAL  61  11.840  -4.076   5.214
  479   1HG2  VAL  61          1HG       VAL  61  12.896  -4.991   1.780
  480   2HG2  VAL  61          2HG       VAL  61  11.308  -4.259   2.085
  481   3HG2  VAL  61          3HG       VAL  61  12.732  -3.668   2.944
  482    H    GLY  62           H        GLY  62  10.585  -8.310   3.985
  483   1HA   GLY  62          2HA       GLY  62  10.327 -10.168   5.400
  484   2HA   GLY  62          3HA       GLY  62  12.003  -9.990   5.957
  485    H    HIS  63           HN       HIS  63   9.401  -7.582   5.777
  486    HA   HIS  63           HA       HIS  63  10.068  -6.003   7.773
  487   1HB   HIS  63          2HB       HIS  63   7.447  -6.765   6.532
  488   2HB   HIS  63          3HB       HIS  63   7.319  -5.838   7.992
  489    HD1  HIS  63           HND      HIS  63   8.772  -5.466   4.493
  490    HD2  HIS  63           HD       HIS  63   7.663  -3.231   7.858
  491    HE1  HIS  63           HE       HIS  63   8.856  -3.043   3.787
  492    H    SER  64           H        SER  64   9.790  -5.685  10.009
  493    HA   SER  64           HA       SER  64   9.620  -7.839  11.732
  494   1HB   SER  64          2HB       SER  64   8.955  -4.914  12.254
  495   2HB   SER  64          3HB       SER  64   9.524  -6.089  13.458
  496    HG   SER  64           HG       SER  64  11.492  -6.199  12.304
  497    H    THR  65           H        THR  65   8.020  -8.187  13.551
  498    HA   THR  65           HA       THR  65   5.503  -8.777  12.512
  499    HB   THR  65           HB       THR  65   6.665  -8.582  15.318
  500    HG1  THR  65          1HG       THR  65   6.248 -10.791  13.596
  501   1HG2  THR  65          1HG       THR  65   4.909 -10.162  16.004
  502   2HG2  THR  65          2HG       THR  65   4.227  -8.606  15.509
  503   3HG2  THR  65          3HG       THR  65   4.129  -9.998  14.404
  504    H    ASP  66           H        ASP  66   6.455  -6.130  14.800
  505    HA   ASP  66           HA       ASP  66   3.874  -5.032  15.160
  506   1HB   ASP  66          2HB       ASP  66   6.377  -4.548  16.116
  507   2HB   ASP  66          3HB       ASP  66   6.274  -3.224  14.960
  508    H    ALA  67           H        ALA  67   6.126  -4.870  12.479
  509    HA   ALA  67           HA       ALA  67   4.909  -2.637  11.117
  510   1HB   ALA  67          1HB       ALA  67   7.258  -4.099  10.830
  511   2HB   ALA  67          2HB       ALA  67   6.266  -4.692   9.482
  512   3HB   ALA  67          3HB       ALA  67   6.586  -2.961   9.663
  513    H    ARG  68           H        ARG  68   4.505  -6.204  10.999
  514    HA   ARG  68           HA       ARG  68   2.606  -6.250   8.927
  515   1HB   ARG  68          2HB       ARG  68   3.701  -8.107  10.854
  516   2HB   ARG  68          3HB       ARG  68   1.956  -8.349  10.760
  517   1HG   ARG  68          2HG       ARG  68   2.015  -8.775   8.430
  518   2HG   ARG  68          3HG       ARG  68   3.642  -8.076   8.249
  519   1HD   ARG  68          2HD       ARG  68   4.634  -9.856   9.545
  520   2HD   ARG  68          3HD       ARG  68   3.042 -10.581   9.866
  521    HE   ARG  68           HE       ARG  68   3.170 -10.454   7.124
  522   1HH1  ARG  68          2HH       ARG  68   5.260 -11.853   9.593
  523   2HH1  ARG  68          1HH       ARG  68   5.884 -13.114   8.587
  524   1HH2  ARG  68          2HH       ARG  68   4.077 -12.083   5.707
  525   2HH2  ARG  68          1HH       ARG  68   5.202 -13.215   6.308
  526    H    GLU  69           H        GLU  69   2.321  -5.141  12.310
  527    HA   GLU  69           HA       GLU  69  -0.617  -5.443  12.408
  528   1HB   GLU  69          2HB       GLU  69   1.464  -4.254  14.308
  529   2HB   GLU  69          3HB       GLU  69  -0.256  -3.942  14.497
  530   1HG   GLU  69          2HG       GLU  69  -0.465  -6.563  14.259
  531   2HG   GLU  69          3HG       GLU  69   1.222  -6.544  14.798
  532    H    LEU  70           H        LEU  70   1.714  -2.615  12.274
  533    HA   LEU  70           HA       LEU  70  -0.268  -0.670  11.812
  534   1HB   LEU  70          2HB       LEU  70   2.604  -1.074  10.970
  535   2HB   LEU  70          3HB       LEU  70   1.691   0.302  10.442
  536    HG   LEU  70           HG       LEU  70   1.885  -0.321  13.368
  537   1HD1  LEU  70          1HD       LEU  70   3.966   0.799  13.599
  538   2HD1  LEU  70          2HD       LEU  70   4.219  -0.363  12.299
  539   3HD1  LEU  70          3HD       LEU  70   3.957   1.357  11.906
  540   1HD2  LEU  70          1HD       LEU  70   2.011   2.337  13.199
  541   2HD2  LEU  70          2HD       LEU  70   1.293   2.025  11.608
  542   3HD2  LEU  70          3HD       LEU  70   0.473   1.458  13.082
  543    H    SER  71           H        SER  71   0.915  -3.343   9.748
  544    HA   SER  71           HA       SER  71   0.111  -2.301   7.367
  545   1HB   SER  71          2HB       SER  71  -0.577  -5.147   7.690
  546   2HB   SER  71          3HB       SER  71   0.212  -4.287   6.360
  547    HG   SER  71           HG       SER  71   1.962  -3.930   8.036
  548    H    LYS  72           H        LYS  72  -1.851  -3.862   9.839
  549    HA   LYS  72           HA       LYS  72  -4.372  -3.612   8.415
  550   1HB   LYS  72          2HB       LYS  72  -3.200  -5.117  10.619
  551   2HB   LYS  72          3HB       LYS  72  -4.422  -4.111  11.328
  552   1HG   LYS  72          2HG       LYS  72  -5.656  -6.002  10.728
  553   2HG   LYS  72          3HG       LYS  72  -5.967  -4.943   9.359
  554   1HD   LYS  72          2HD       LYS  72  -5.154  -6.526   7.977
  555   2HD   LYS  72          3HD       LYS  72  -3.556  -6.382   8.715
  556   1HE   LYS  72          2HE       LYS  72  -5.822  -8.025   9.919
  557   2HE   LYS  72          3HE       LYS  72  -4.670  -8.721   8.772
  558   1HZ   LYS  72          1HZ       LYS  72  -4.331  -8.615  11.440
  559   2HZ   LYS  72          2HZ       LYS  72  -3.125  -8.856  10.348
  560   3HZ   LYS  72          3HZ       LYS  72  -3.406  -7.352  10.943
  561    H    THR  73           H        THR  73  -2.600  -1.105   9.466
  562    HA   THR  73           HA       THR  73  -5.003   0.309  10.482
  563    HB   THR  73           HB       THR  73  -2.709  -0.037  11.885
  564    HG1  THR  73          1HG       THR  73  -4.388   2.233  11.886
  565   1HG2  THR  73          1HG       THR  73  -1.400   1.938  11.967
  566   2HG2  THR  73          2HG       THR  73  -1.406   1.463  10.261
  567   3HG2  THR  73          3HG       THR  73  -2.429   2.799  10.824
  568    H    PHE  74           H        PHE  74  -3.185  -0.219   7.763
  569    HA   PHE  74           HA       PHE  74  -3.694   2.499   6.605
  570   1HB   PHE  74          2HB       PHE  74  -1.424   0.559   6.101
  571   2HB   PHE  74          3HB       PHE  74  -1.706   2.123   5.314
  572    HD1  PHE  74          1HD       PHE  74   0.675   0.879   6.972
  573    HD2  PHE  74          2HD       PHE  74  -2.362   3.865   7.640
  574    HE1  PHE  74          1HE       PHE  74   2.136   2.018   8.593
  575    HE2  PHE  74          2HE       PHE  74  -0.916   4.956   9.320
  576    HZ   PHE  74           HZ       PHE  74   1.285   3.939   9.879
  577    H    ILE  75           H        ILE  75  -5.341  -0.145   6.703
  578    HA   ILE  75           HA       ILE  75  -5.326  -0.677   3.777
  579    HB   ILE  75           HB       ILE  75  -6.831  -2.471   4.306
  580   1HG1  ILE  75          2HG       ILE  75  -7.947  -1.546   6.294
  581   2HG1  ILE  75          3HG       ILE  75  -7.523  -3.244   6.319
  582   1HG2  ILE  75          1HG       ILE  75  -4.096  -2.361   5.373
  583   2HG2  ILE  75          2HG       ILE  75  -5.075  -3.798   5.740
  584   3HG2  ILE  75          3HG       ILE  75  -4.817  -3.284   4.055
  585   1HD1  ILE  75          1HD       ILE  75  -5.285  -1.959   7.453
  586   2HD1  ILE  75          2HD       ILE  75  -6.703  -1.150   8.153
  587   3HD1  ILE  75          3HD       ILE  75  -6.535  -2.916   8.274
  588    H    ILE  76           H        ILE  76  -6.983  -0.069   2.572
  589    HA   ILE  76           HA       ILE  76  -9.188   1.455   3.894
  590    HB   ILE  76           HB       ILE  76  -9.264   2.855   1.839
  591   1HG1  ILE  76          2HG       ILE  76  -6.927   3.031   0.656
  592   2HG1  ILE  76          3HG       ILE  76  -6.644   1.390   1.180
  593   1HG2  ILE  76          1HG       ILE  76  -8.209   3.550   3.981
  594   2HG2  ILE  76          2HG       ILE  76  -6.634   3.062   3.304
  595   3HG2  ILE  76          3HG       ILE  76  -7.582   4.354   2.526
  596   1HD1  ILE  76          1HD       ILE  76  -8.546   0.629  -0.121
  597   2HD1  ILE  76          2HD       ILE  76  -9.133   2.318  -0.263
  598   3HD1  ILE  76          3HD       ILE  76  -7.699   1.822  -1.132
  599    H    GLY  77           H        GLY  77  -8.448  -1.442   2.432
  600   1HA   GLY  77          2HA       GLY  77 -10.928  -2.424   2.176
  601   2HA   GLY  77          3HA       GLY  77 -10.793  -1.466   0.669
  602    H    GLU  78           H        GLU  78 -10.944  -3.464  -0.615
  603    HA   GLU  78           HA       GLU  78  -8.326  -4.648  -0.848
  604   1HB   GLU  78          2HB       GLU  78 -10.588  -6.616  -0.962
  605   2HB   GLU  78          3HB       GLU  78  -8.915  -6.864  -0.479
  606   1HG   GLU  78          2HG       GLU  78  -9.451  -5.636   1.681
  607   2HG   GLU  78          3HG       GLU  78 -11.153  -5.694   1.191
  608    H    LEU  79           H        LEU  79  -7.782  -4.751  -2.967
  609    HA   LEU  79           HA       LEU  79  -9.648  -3.604  -4.811
  610   1HB   LEU  79          2HB       LEU  79  -8.018  -3.716  -6.414
  611   2HB   LEU  79          3HB       LEU  79  -7.133  -3.508  -4.900
  612    HG   LEU  79           HG       LEU  79  -7.390  -6.067  -6.503
  613   1HD1  LEU  79          1HD       LEU  79  -5.836  -4.072  -7.148
  614   2HD1  LEU  79          2HD       LEU  79  -4.910  -4.545  -5.726
  615   3HD1  LEU  79          3HD       LEU  79  -5.121  -5.703  -7.050
  616   1HD2  LEU  79          1HD       LEU  79  -7.286  -6.660  -4.115
  617   2HD2  LEU  79          2HD       LEU  79  -5.705  -6.924  -4.851
  618   3HD2  LEU  79          3HD       LEU  79  -5.963  -5.490  -3.848
  619    H    HIS  80           H        HIS  80 -10.152  -4.748  -6.932
  620    HA   HIS  80           HA       HIS  80 -11.898  -6.860  -6.509
  621   1HB   HIS  80          2HB       HIS  80 -10.460  -5.916  -8.985
  622   2HB   HIS  80          3HB       HIS  80 -11.527  -7.320  -9.003
  623    HD1  HIS  80           HD1      HIS  80 -13.298  -5.986 -10.563
  624    HD2  HIS  80           HD2      HIS  80 -12.606  -4.418  -6.715
  625    HE1  HIS  80           HE1      HIS  80 -15.234  -4.382 -10.052
  626    HA   PRO  81           HA       PRO  81  -8.775  -9.884  -5.846
  627   1HB   PRO  81          2HB       PRO  81 -10.386 -11.939  -4.832
  628   2HB   PRO  81          3HB       PRO  81  -9.845 -10.516  -3.902
  629   1HG   PRO  81          2HG       PRO  81 -12.513 -11.006  -5.203
  630   2HG   PRO  81          3HG       PRO  81 -12.131 -10.157  -3.673
  631   1HD   PRO  81          2HD       PRO  81 -12.663  -8.923  -6.129
  632   2HD   PRO  81          3HD       PRO  81 -11.783  -8.166  -4.765
  633    H    ASP  82           H        ASP  82  -8.477  -9.881  -8.127
  634    HA   ASP  82           HA       ASP  82  -8.798 -12.496  -9.338
  635   1HB   ASP  82          2HB       ASP  82 -10.888 -10.610  -9.825
  636   2HB   ASP  82          3HB       ASP  82  -9.877 -10.558 -11.262
  637    H    ASP  83           H        ASP  83  -8.277  -8.988  -9.988
  638    HA   ASP  83           HA       ASP  83  -6.035  -9.569 -11.770
  639   1HB   ASP  83          2HB       ASP  83  -7.625  -7.136 -10.977
  640   2HB   ASP  83          3HB       ASP  83  -6.082  -6.949 -11.819
  641    H    ARG  84           H        ARG  84  -5.801 -10.150  -8.826
  642    HA   ARG  84           HA       ARG  84  -3.662  -8.201  -8.061
  643   1HB   ARG  84          2HB       ARG  84  -5.470  -8.679  -6.451
  644   2HB   ARG  84          3HB       ARG  84  -5.048 -10.387  -6.475
  645   1HG   ARG  84          2HG       ARG  84  -2.648  -8.736  -5.916
  646   2HG   ARG  84          3HG       ARG  84  -3.923  -8.287  -4.870
  647   1HD   ARG  84          2HD       ARG  84  -3.402 -10.018  -3.580
  648   2HD   ARG  84          3HD       ARG  84  -4.057 -11.111  -4.792
  649    HE   ARG  84           HE       ARG  84  -1.432 -10.516  -5.554
  650   1HH1  ARG  84          2HH       ARG  84  -3.162 -12.065  -2.914
  651   2HH1  ARG  84          1HH       ARG  84  -1.807 -12.947  -2.278
  652   1HH2  ARG  84          2HH       ARG  84   0.388 -11.803  -4.823
  653   2HH2  ARG  84          1HH       ARG  84   0.270 -12.815  -3.430
  654    H    SER  85           H        SER  85  -4.100 -11.596  -9.047
  655    HA   SER  85           HA       SER  85  -1.160 -11.777  -9.171
  656   1HB   SER  85          2HB       SER  85  -1.796 -12.448  -6.830
  657   2HB   SER  85          3HB       SER  85  -2.714 -13.804  -7.513
  658    HG   SER  85           HG       SER  85  -0.743 -14.455  -8.515
  659    H    LYS  86           H        LYS  86  -3.155 -11.637 -11.213
  660    HA   LYS  86           HA       LYS  86  -2.605 -14.209 -12.529
  661   1HB   LYS  86          2HB       LYS  86  -4.850 -14.240 -11.106
  662   2HB   LYS  86          3HB       LYS  86  -5.488 -13.287 -12.429
  663   1HG   LYS  86          2HG       LYS  86  -5.974 -15.428 -13.150
  664   2HG   LYS  86          3HG       LYS  86  -4.417 -15.202 -13.955
  665   1HD   LYS  86          2HD       LYS  86  -3.300 -16.662 -12.468
  666   2HD   LYS  86          3HD       LYS  86  -4.487 -16.404 -11.174
  667   1HE   LYS  86          2HE       LYS  86  -6.227 -17.518 -12.571
  668   2HE   LYS  86          3HE       LYS  86  -4.981 -17.948 -13.753
  669   1HZ   LYS  86          1HZ       LYS  86  -5.565 -19.654 -12.026
  670   2HZ   LYS  86          2HZ       LYS  86  -3.956 -19.336 -12.172
  671   3HZ   LYS  86          3HZ       LYS  86  -4.812 -18.713 -10.909
  672    H    LEU  87           H        LEU  87  -1.497 -11.766 -13.146
  673    HA   LEU  87           HA       LEU  87  -3.160 -10.631 -15.365
  674   1HB   LEU  87          2HB       LEU  87  -0.660  -9.493 -14.067
  675   2HB   LEU  87          3HB       LEU  87  -1.690  -8.698 -15.246
  676    HG   LEU  87           HG       LEU  87  -3.305  -9.584 -12.966
  677   1HD1  LEU  87          1HD       LEU  87  -1.129  -9.416 -11.762
  678   2HD1  LEU  87          2HD       LEU  87  -0.969  -7.736 -12.329
  679   3HD1  LEU  87          3HD       LEU  87  -2.287  -8.187 -11.238
  680   1HD2  LEU  87          1HD       LEU  87  -3.962  -7.831 -14.574
  681   2HD2  LEU  87          2HD       LEU  87  -3.944  -7.227 -12.913
  682   3HD2  LEU  87          3HD       LEU  87  -2.614  -6.808 -14.014
  683    H    SER  88           H        SER  88   0.141 -11.781 -14.605
  684    HA   SER  88           HA       SER  88   1.358 -11.429 -17.057
  685   1HB   SER  88          2HB       SER  88   2.135 -12.459 -14.684
  686   2HB   SER  88          3HB       SER  88   1.962 -13.976 -15.589
  687    HG   SER  88           HG       SER  88   4.037 -12.649 -15.670
  688    H    LYS  89           H        LYS  89   1.054 -12.291 -19.088
  689    HA   LYS  89           HA       LYS  89  -0.284 -14.894 -19.330
  690   1HB   LYS  89          2HB       LYS  89  -1.387 -12.216 -20.197
  691   2HB   LYS  89          3HB       LYS  89  -1.552 -13.541 -21.327
  692   1HG   LYS  89          2HG       LYS  89  -2.332 -14.739 -18.927
  693   2HG   LYS  89          3HG       LYS  89  -2.890 -13.094 -18.707
  694   1HD   LYS  89          2HD       LYS  89  -3.667 -13.989 -21.379
  695   2HD   LYS  89          3HD       LYS  89  -4.043 -15.254 -20.212
  696   1HE   LYS  89          2HE       LYS  89  -5.976 -13.924 -20.219
  697   2HE   LYS  89          3HE       LYS  89  -5.104 -13.426 -18.759
  698   1HZ   LYS  89          1HZ       LYS  89  -5.222 -12.004 -21.342
  699   2HZ   LYS  89          2HZ       LYS  89  -5.810 -11.494 -19.892
  700   3HZ   LYS  89          3HZ       LYS  89  -4.185 -11.584 -20.131
  701    HA   PRO  90           HA       PRO  90   2.606 -15.378 -22.531
  702   1HB   PRO  90          2HB       PRO  90   1.259 -16.983 -24.360
  703   2HB   PRO  90          3HB       PRO  90   1.928 -17.547 -22.803
  704   1HG   PRO  90          2HG       PRO  90  -0.919 -16.984 -23.525
  705   2HG   PRO  90          3HG       PRO  90  -0.252 -18.144 -22.335
  706   1HD   PRO  90          2HD       PRO  90  -1.352 -15.603 -21.799
  707   2HD   PRO  90          3HD       PRO  90  -0.400 -16.593 -20.658
  708    H    MET  91           H        MET  91   2.831 -15.211 -25.034
  709    HA   MET  91           HA       MET  91   1.438 -12.735 -25.944
  710   1HB   MET  91          2HB       MET  91   4.219 -13.882 -26.293
  711   2HB   MET  91          3HB       MET  91   3.531 -12.959 -27.621
  712   1HG   MET  91          2HG       MET  91   3.004 -11.477 -25.228
  713   2HG   MET  91          3HG       MET  91   4.683 -11.997 -25.162
  714   1HE   MET  91          1HE       MET  91   5.190 -11.801 -28.734
  715   2HE   MET  91          2HE       MET  91   6.298 -10.485 -28.293
  716   3HE   MET  91          3HE       MET  91   6.181 -11.928 -27.259
  717    H    GLU  92           H        GLU  92   1.368 -12.678 -28.441
  718    HA   GLU  92           HA       GLU  92   0.534 -15.314 -29.496
  719   1HB   GLU  92          2HB       GLU  92  -1.284 -14.183 -30.665
  720   2HB   GLU  92          3HB       GLU  92  -1.416 -13.973 -28.923
  721   1HG   GLU  92          2HG       GLU  92   0.128 -11.759 -29.964
  722   2HG   GLU  92          3HG       GLU  92  -1.308 -11.970 -30.980
  723    H    THR  93           H        THR  93   0.221 -14.817 -32.077
  724    HA   THR  93           HA       THR  93   2.981 -14.427 -32.967
  725    HB   THR  93           HB       THR  93   0.376 -15.133 -34.375
  726    HG1  THR  93          1HG       THR  93   1.318 -16.704 -32.992
  727   1HG2  THR  93          1HG       THR  93   1.751 -15.801 -36.314
  728   2HG2  THR  93          2HG       THR  93   1.834 -14.056 -36.044
  729   3HG2  THR  93          3HG       THR  93   3.191 -15.094 -35.543
  730    H    LEU  94           H        LEU  94  -0.174 -12.764 -33.607
  731    HA   LEU  94           HA       LEU  94   1.348 -10.583 -34.936
  732   1HB   LEU  94          2HB       LEU  94  -0.887 -12.014 -35.870
  733   2HB   LEU  94          3HB       LEU  94  -1.603 -10.561 -35.184
  734    HG   LEU  94           HG       LEU  94  -1.094 -10.372 -37.591
  735   1HD1  LEU  94          1HD       LEU  94   0.574  -8.505 -35.868
  736   2HD1  LEU  94          2HD       LEU  94   0.114  -8.210 -37.559
  737   3HD1  LEU  94          3HD       LEU  94  -1.130  -8.317 -36.293
  738   1HD2  LEU  94          1HD       LEU  94   0.823 -11.074 -38.500
  739   2HD2  LEU  94          2HD       LEU  94   1.782 -10.008 -37.455
  740   3HD2  LEU  94          3HD       LEU  94   1.351 -11.636 -36.908
  741    HHA  HEM  95          MHG       HEM  95  11.771  -0.741   8.534
  742    HHB  HEM  95          MHD       HEM  95   5.463  -0.475   9.595
  743    HHC  HEM  95          MHA       HEM  95   4.434  -0.804   3.261
  744    HHD  HEM  95          MHB       HEM  95  10.767  -0.515   2.162
  745   1HMA  HEM  95          1HM       HEM  95   6.829   0.307  11.592
  746   2HMA  HEM  95          2HM       HEM  95   6.801  -1.465  11.656
  747   3HMA  HEM  95          3HM       HEM  95   8.157  -0.578  12.350
  748   1HAA  HEM  95          1HP       HEM  95  10.265  -0.809  11.951
  749   2HAA  HEM  95          2HP       HEM  95  11.349  -0.221  10.709
  750   1HBA  HEM  95          3HP       HEM  95  10.922  -2.833   9.868
  751   2HBA  HEM  95          4HP       HEM  95  10.795  -2.998  11.617
  752   1HMB  HEM  95          1HM       HEM  95   3.310   0.240   9.013
  753   2HMB  HEM  95          2HM       HEM  95   2.052  -0.437   7.940
  754   3HMB  HEM  95          3HM       HEM  95   3.109  -1.515   8.851
  755    HAB  HEM  95          AHT       HEM  95   2.389  -0.483   4.224
  756   1HBB  HEM  95          CHV       HEM  95   2.082  -2.553   6.413
  757   2HBB  HEM  95          THV       HEM  95   0.907  -2.170   5.018
  758   1HMC  HEM  95          1HM       HEM  95   4.863  -1.816   1.357
  759   2HMC  HEM  95          2HM       HEM  95   5.208  -0.363   0.399
  760   3HMC  HEM  95          3HM       HEM  95   6.060  -1.911   0.088
  761    HAC  HEM  95          AHT       HEM  95   9.806  -0.806   0.185
  762   1HBC  HEM  95          THV       HEM  95   8.715  -0.069  -1.775
  763   2HBC  HEM  95          CHV       HEM  95   7.060  -0.113  -0.948
  764   1HMD  HEM  95          1HM       HEM  95  14.090   0.261   3.837
  765   2HMD  HEM  95          2HM       HEM  95  13.425  -1.120   2.930
  766   3HMD  HEM  95          3HM       HEM  95  12.780   0.518   2.683
  767   1HAD  HEM  95          1HP       HEM  95  13.558  -0.163   7.618
  768   2HAD  HEM  95          2HP       HEM  95  14.113   0.741   6.234
  769   1HBD  HEM  95          3HP       HEM  95  15.384  -0.999   5.424
  770   2HBD  HEM  95          4HP       HEM  95  14.224  -2.229   5.940
  Start of MODEL   35
    1   1H    ASP   1           H1       ASP   1 -12.092  -3.057  13.389
    2   2H    ASP   1           H2       ASP   1 -13.234  -1.918  13.105
    3   3H    ASP   1           H3       ASP   1 -13.517  -3.079  14.250
    4    HA   ASP   1           HA       ASP   1 -14.692  -3.424  12.114
    5   1HB   ASP   1          2HB       ASP   1 -14.439  -5.758  12.116
    6   2HB   ASP   1          3HB       ASP   1 -12.716  -5.676  12.553
    7    H    LYS   2           H        LYS   2 -14.160  -4.578   9.848
    8    HA   LYS   2           HA       LYS   2 -11.523  -3.543   8.918
    9   1HB   LYS   2          2HB       LYS   2 -12.603  -6.252   8.788
   10   2HB   LYS   2          3HB       LYS   2 -12.456  -5.588   7.155
   11   1HG   LYS   2          2HG       LYS   2 -10.109  -4.872   7.699
   12   2HG   LYS   2          3HG       LYS   2 -10.258  -5.703   9.263
   13   1HD   LYS   2          2HD       LYS   2 -10.606  -7.841   8.158
   14   2HD   LYS   2          3HD       LYS   2 -10.663  -7.077   6.562
   15   1HE   LYS   2          2HE       LYS   2  -8.251  -6.860   8.408
   16   2HE   LYS   2          3HE       LYS   2  -8.450  -8.187   7.252
   17   1HZ   LYS   2          1HZ       LYS   2  -8.874  -5.994   5.750
   18   2HZ   LYS   2          2HZ       LYS   2  -7.722  -5.455   6.778
   19   3HZ   LYS   2          3HZ       LYS   2  -7.428  -6.792   5.874
   20    H    ASP   3           H        ASP   3 -11.449  -2.615   6.882
   21    HA   ASP   3           HA       ASP   3 -14.029  -1.871   5.674
   22   1HB   ASP   3          2HB       ASP   3 -12.995   0.289   5.234
   23   2HB   ASP   3          3HB       ASP   3 -13.048  -0.039   6.966
   24    H    VAL   4           H        VAL   4 -14.172  -2.702   3.673
   25    HA   VAL   4           HA       VAL   4 -11.670  -3.035   2.119
   26    HB   VAL   4           HB       VAL   4 -13.896  -5.101   2.208
   27   1HG1  VAL   4          1HG       VAL   4 -11.191  -4.978   0.858
   28   2HG1  VAL   4          2HG       VAL   4 -12.223  -6.431   0.910
   29   3HG1  VAL   4          3HG       VAL   4 -12.773  -4.990   0.052
   30   1HG2  VAL   4          1HG       VAL   4 -11.047  -5.430   3.242
   31   2HG2  VAL   4          2HG       VAL   4 -12.396  -5.046   4.326
   32   3HG2  VAL   4          3HG       VAL   4 -12.417  -6.556   3.413
   33    H    LYS   5           H        LYS   5 -12.337  -0.933   1.193
   34    HA   LYS   5           HA       LYS   5 -14.911  -0.984  -0.214
   35   1HB   LYS   5          2HB       LYS   5 -13.907   1.064   0.952
   36   2HB   LYS   5          3HB       LYS   5 -12.709   1.091  -0.322
   37   1HG   LYS   5          2HG       LYS   5 -14.248   2.475  -1.363
   38   2HG   LYS   5          3HG       LYS   5 -15.008   0.958  -1.845
   39   1HD   LYS   5          2HD       LYS   5 -16.350   1.062   0.303
   40   2HD   LYS   5          3HD       LYS   5 -15.687   2.703   0.539
   41   1HE   LYS   5          2HE       LYS   5 -16.592   3.419  -1.620
   42   2HE   LYS   5          3HE       LYS   5 -17.173   1.783  -1.965
   43   1HZ   LYS   5          1HZ       LYS   5 -18.780   1.955  -0.321
   44   2HZ   LYS   5          2HZ       LYS   5 -18.071   3.245   0.417
   45   3HZ   LYS   5          3HZ       LYS   5 -18.823   3.438  -1.035
   46    H    TYR   6           H        TYR   6 -13.497  -3.113  -1.111
   47    HA   TYR   6           HA       TYR   6 -12.085  -3.822  -2.918
   48   1HB   TYR   6          2HB       TYR   6 -15.077  -3.622  -3.264
   49   2HB   TYR   6          3HB       TYR   6 -14.086  -4.361  -4.508
   50    HD1  TYR   6           HD1      TYR   6 -12.386  -6.192  -3.819
   51    HD2  TYR   6           HD2      TYR   6 -15.790  -5.027  -1.430
   52    HE1  TYR   6           HE1      TYR   6 -12.405  -8.414  -2.796
   53    HE2  TYR   6           HE2      TYR   6 -15.796  -7.278  -0.365
   54    HH   TYR   6           HH       TYR   6 -13.269  -9.693  -1.121
   55    H    TYR   7           H        TYR   7 -10.670  -2.383  -4.051
   56    HA   TYR   7           HA       TYR   7 -11.911  -0.376  -5.793
   57   1HB   TYR   7          2HB       TYR   7  -9.250  -0.699  -4.349
   58   2HB   TYR   7          3HB       TYR   7  -9.434   0.368  -5.652
   59    HD1  TYR   7           HD1      TYR   7  -9.547   0.235  -2.187
   60    HD2  TYR   7           HD2      TYR   7 -11.730   1.934  -5.474
   61    HE1  TYR   7           HE1      TYR   7 -10.585   1.933  -0.660
   62    HE2  TYR   7           HE2      TYR   7 -12.664   3.661  -4.008
   63    HH   TYR   7           HH       TYR   7 -12.710   4.518  -1.819
   64    H    THR   8           H        THR   8 -11.118  -0.224  -7.924
   65    HA   THR   8           HA       THR   8 -10.356  -2.835  -9.070
   66    HB   THR   8           HB       THR   8 -10.827  -1.617 -11.205
   67    HG1  THR   8          1HG       THR   8 -11.548   0.508 -11.082
   68   1HG2  THR   8          1HG       THR   8 -13.254  -1.282 -10.874
   69   2HG2  THR   8          2HG       THR   8 -12.694  -2.731 -10.022
   70   3HG2  THR   8          3HG       THR   8 -13.030  -1.240  -9.116
   71    H    LEU   9           H        LEU   9  -8.528  -2.886 -10.576
   72    HA   LEU   9           HA       LEU   9  -6.155  -1.829  -9.612
   73   1HB   LEU   9          2HB       LEU   9  -6.650  -2.402 -12.546
   74   2HB   LEU   9          3HB       LEU   9  -5.099  -2.162 -11.766
   75    HG   LEU   9           HG       LEU   9  -5.130  -4.423 -11.876
   76   1HD1  LEU   9          1HD       LEU   9  -5.531  -5.390  -9.670
   77   2HD1  LEU   9          2HD       LEU   9  -4.822  -3.773  -9.482
   78   3HD1  LEU   9          3HD       LEU   9  -6.558  -4.036  -9.209
   79   1HD2  LEU   9          1HD       LEU   9  -7.459  -4.523 -12.796
   80   2HD2  LEU   9          2HD       LEU   9  -7.042  -5.868 -11.713
   81   3HD2  LEU   9          3HD       LEU   9  -8.054  -4.547 -11.136
   82    H    GLU  10           H        GLU  10  -8.348  -0.344 -11.986
   83    HA   GLU  10           HA       GLU  10  -6.743   1.834 -12.705
   84   1HB   GLU  10          2HB       GLU  10  -9.346   0.968 -13.279
   85   2HB   GLU  10          3HB       GLU  10  -9.624   2.481 -12.418
   86   1HG   GLU  10          2HG       GLU  10  -9.417   3.048 -14.730
   87   2HG   GLU  10          3HG       GLU  10  -7.903   3.560 -13.973
   88    H    GLU  11           H        GLU  11  -9.036   1.553  -9.868
   89    HA   GLU  11           HA       GLU  11  -8.701   4.240  -9.016
   90   1HB   GLU  11          2HB       GLU  11  -9.494   1.615  -7.706
   91   2HB   GLU  11          3HB       GLU  11  -9.270   3.057  -6.739
   92   1HG   GLU  11          2HG       GLU  11 -11.127   2.899  -9.134
   93   2HG   GLU  11          3HG       GLU  11 -11.627   2.640  -7.465
   94    H    ILE  12           H        ILE  12  -6.855   1.214  -8.261
   95    HA   ILE  12           HA       ILE  12  -5.223   2.570  -6.357
   96    HB   ILE  12           HB       ILE  12  -4.674   0.118  -8.041
   97   1HG1  ILE  12          2HG       ILE  12  -5.246  -0.164  -5.176
   98   2HG1  ILE  12          3HG       ILE  12  -6.563   0.584  -6.009
   99   1HG2  ILE  12          1HG       ILE  12  -2.556   0.611  -7.271
  100   2HG2  ILE  12          2HG       ILE  12  -3.155   1.411  -5.780
  101   3HG2  ILE  12          3HG       ILE  12  -3.135  -0.353  -5.924
  102   1HD1  ILE  12          1HD       ILE  12  -5.305  -2.088  -6.789
  103   2HD1  ILE  12          2HD       ILE  12  -6.909  -1.838  -6.042
  104   3HD1  ILE  12          3HD       ILE  12  -6.580  -1.259  -7.668
  105    H    LYS  13           H        LYS  13  -4.988   2.211  -9.872
  106    HA   LYS  13           HA       LYS  13  -2.393   3.605 -10.008
  107   1HB   LYS  13          2HB       LYS  13  -4.286   2.401 -12.079
  108   2HB   LYS  13          3HB       LYS  13  -2.921   3.418 -12.522
  109   1HG   LYS  13          2HG       LYS  13  -1.777   1.532 -12.646
  110   2HG   LYS  13          3HG       LYS  13  -1.582   1.716 -10.909
  111   1HD   LYS  13          2HD       LYS  13  -3.206   0.029 -10.450
  112   2HD   LYS  13          3HD       LYS  13  -3.870   0.110 -12.105
  113   1HE   LYS  13          2HE       LYS  13  -2.386  -1.354 -12.909
  114   2HE   LYS  13          3HE       LYS  13  -1.044  -0.403 -12.268
  115   1HZ   LYS  13          1HZ       LYS  13  -1.620  -1.522 -10.078
  116   2HZ   LYS  13          2HZ       LYS  13  -2.412  -2.650 -11.005
  117   3HZ   LYS  13          3HZ       LYS  13  -0.804  -2.381 -11.209
  118    H    LYS  14           H        LYS  14  -5.475   4.674  -9.384
  119    HA   LYS  14           HA       LYS  14  -5.258   7.159 -10.952
  120   1HB   LYS  14          2HB       LYS  14  -7.426   5.884 -10.619
  121   2HB   LYS  14          3HB       LYS  14  -7.285   6.208  -8.901
  122   1HG   LYS  14          2HG       LYS  14  -7.075   8.743 -10.198
  123   2HG   LYS  14          3HG       LYS  14  -8.339   7.882 -11.044
  124   1HD   LYS  14          2HD       LYS  14  -9.780   7.948  -9.257
  125   2HD   LYS  14          3HD       LYS  14  -8.508   7.650  -8.068
  126   1HE   LYS  14          2HE       LYS  14  -7.644   9.999  -8.553
  127   2HE   LYS  14          3HE       LYS  14  -9.191  10.292  -9.375
  128   1HZ   LYS  14          1HZ       LYS  14  -9.237  10.922  -7.030
  129   2HZ   LYS  14          2HZ       LYS  14 -10.304   9.692  -7.322
  130   3HZ   LYS  14          3HZ       LYS  14  -8.872   9.371  -6.590
  131    H    HIS  15           H        HIS  15  -4.253   5.914  -7.822
  132    HA   HIS  15           HA       HIS  15  -4.066   8.714  -6.829
  133   1HB   HIS  15          2HB       HIS  15  -3.523   6.148  -5.317
  134   2HB   HIS  15          3HB       HIS  15  -3.530   7.847  -4.756
  135    HD1  HIS  15           HD1      HIS  15  -5.912   9.027  -4.469
  136    HD2  HIS  15           HD2      HIS  15  -5.931   4.976  -5.626
  137    HE1  HIS  15           HE1      HIS  15  -8.312   8.170  -4.142
  138    H    ASN  16           H        ASN  16  -1.630   6.949  -5.443
  139    HA   ASN  16           HA       ASN  16   0.561   6.885  -5.651
  140   1HB   ASN  16          2HB       ASN  16   1.448   6.230  -7.610
  141   2HB   ASN  16          3HB       ASN  16  -0.091   6.523  -8.377
  142   1HD2  ASN  16          1HD       ASN  16  -0.395   8.865  -9.317
  143   2HD2  ASN  16          2HD       ASN  16   1.069   9.622  -9.895
  144    H    HIS  17           H        HIS  17  -1.227   9.645  -5.921
  145    HA   HIS  17           HA       HIS  17   1.101  11.432  -6.149
  146   1HB   HIS  17          2HB       HIS  17  -1.882  11.925  -5.893
  147   2HB   HIS  17          3HB       HIS  17  -0.669  13.198  -6.058
  148    HD1  HIS  17           HD1      HIS  17   0.682  13.241  -8.487
  149    HD2  HIS  17           HD2      HIS  17  -2.617  10.638  -8.142
  150    HE1  HIS  17           HE1      HIS  17   0.081  12.486 -10.850
  151    H    SER  18           H        SER  18   1.085  13.247  -4.436
  152    HA   SER  18           HA       SER  18   1.376  12.010  -1.827
  153   1HB   SER  18          2HB       SER  18   2.736  13.945  -3.127
  154   2HB   SER  18          3HB       SER  18   1.643  14.982  -2.205
  155    HG   SER  18           HG       SER  18   3.452  14.524  -0.956
  156    H    LYS  19           H        LYS  19  -1.049  11.486  -1.987
  157    HA   LYS  19           HA       LYS  19  -2.554  13.327  -0.317
  158   1HB   LYS  19          2HB       LYS  19  -2.860  13.844  -3.025
  159   2HB   LYS  19          3HB       LYS  19  -4.136  12.665  -2.765
  160   1HG   LYS  19          2HG       LYS  19  -5.154  14.755  -2.356
  161   2HG   LYS  19          3HG       LYS  19  -4.869  14.100  -0.739
  162   1HD   LYS  19          2HD       LYS  19  -3.419  15.814  -0.210
  163   2HD   LYS  19          3HD       LYS  19  -2.559  15.629  -1.730
  164   1HE   LYS  19          2HE       LYS  19  -3.325  17.697  -2.087
  165   2HE   LYS  19          3HE       LYS  19  -4.634  16.770  -2.825
  166   1HZ   LYS  19          1HZ       LYS  19  -5.413  18.542  -1.360
  167   2HZ   LYS  19          2HZ       LYS  19  -5.903  17.073  -0.799
  168   3HZ   LYS  19          3HZ       LYS  19  -4.649  17.861  -0.076
  169    H    SER  20           H        SER  20  -2.593  10.351  -2.333
  170    HA   SER  20           HA       SER  20  -3.707   8.817  -0.102
  171   1HB   SER  20          2HB       SER  20  -5.018   9.212  -2.796
  172   2HB   SER  20          3HB       SER  20  -5.301   7.745  -1.835
  173    HG   SER  20           HG       SER  20  -6.866   9.056  -1.164
  174    H    THR  21           H        THR  21  -1.148   8.629  -0.603
  175    HA   THR  21           HA       THR  21  -0.159   7.148  -2.754
  176    HB   THR  21           HB       THR  21   0.623   7.142   0.189
  177    HG1  THR  21          1HG       THR  21   1.077   8.947  -1.942
  178   1HG2  THR  21          1HG       THR  21   1.819   5.429  -1.139
  179   2HG2  THR  21          2HG       THR  21   2.310   6.685  -2.297
  180   3HG2  THR  21          3HG       THR  21   2.873   6.748  -0.602
  181    H    TRP  22           H        TRP  22  -1.581   5.405  -3.357
  182    HA   TRP  22           HA       TRP  22  -2.068   3.360  -1.286
  183   1HB   TRP  22          2HB       TRP  22  -2.971   3.704  -4.159
  184   2HB   TRP  22          3HB       TRP  22  -3.297   2.252  -3.212
  185    HD1  TRP  22           HD1      TRP  22  -3.524   5.243  -1.005
  186    HE1  TRP  22           HE1      TRP  22  -5.847   5.882  -0.544
  187    HE3  TRP  22           HE3      TRP  22  -5.731   2.130  -4.354
  188    HZ2  TRP  22           HZ2      TRP  22  -8.536   5.361  -1.810
  189    HZ3  TRP  22           HZ3      TRP  22  -8.166   2.238  -4.766
  190    HH2  TRP  22           HH2      TRP  22  -9.560   3.899  -3.546
  191    H    LEU  23           H        LEU  23  -1.601   1.076  -1.893
  192    HA   LEU  23           HA       LEU  23   0.146   0.402  -4.037
  193   1HB   LEU  23          2HB       LEU  23   2.116  -0.228  -2.604
  194   2HB   LEU  23          3HB       LEU  23   1.909   1.471  -2.894
  195    HG   LEU  23           HG       LEU  23   0.695   1.533  -0.537
  196   1HD1  LEU  23          1HD       LEU  23   1.453  -0.149   1.004
  197   2HD1  LEU  23          2HD       LEU  23   0.645  -0.967  -0.341
  198   3HD1  LEU  23          3HD       LEU  23   2.408  -0.926  -0.281
  199   1HD2  LEU  23          1HD       LEU  23   3.137   1.477   0.465
  200   2HD2  LEU  23          2HD       LEU  23   3.638   1.297  -1.212
  201   3HD2  LEU  23          3HD       LEU  23   2.696   2.721  -0.713
  202    H    ILE  24           H        ILE  24   0.766  -1.987  -3.792
  203    HA   ILE  24           HA       ILE  24  -1.413  -3.344  -2.284
  204    HB   ILE  24           HB       ILE  24   0.008  -4.201  -4.852
  205   1HG1  ILE  24          2HG       ILE  24  -1.238  -2.283  -5.461
  206   2HG1  ILE  24          3HG       ILE  24  -2.083  -3.716  -6.035
  207   1HG2  ILE  24          1HG       ILE  24  -2.485  -5.521  -4.557
  208   2HG2  ILE  24          2HG       ILE  24  -0.855  -6.206  -4.484
  209   3HG2  ILE  24          3HG       ILE  24  -1.651  -5.647  -3.003
  210   1HD1  ILE  24          1HD       ILE  24  -3.522  -3.549  -3.905
  211   2HD1  ILE  24          2HD       ILE  24  -2.800  -1.952  -3.667
  212   3HD1  ILE  24          3HD       ILE  24  -3.744  -2.294  -5.125
  213    H    LEU  25           H        LEU  25  -0.353  -4.502  -0.502
  214    HA   LEU  25           HA       LEU  25   2.405  -5.495  -1.061
  215   1HB   LEU  25          2HB       LEU  25   1.120  -5.167   1.634
  216   2HB   LEU  25          3HB       LEU  25   2.781  -5.623   1.300
  217    HG   LEU  25           HG       LEU  25   1.505  -2.971   0.552
  218   1HD1  LEU  25          1HD       LEU  25   3.016  -2.025   2.159
  219   2HD1  LEU  25          2HD       LEU  25   2.015  -3.259   2.963
  220   3HD1  LEU  25          3HD       LEU  25   3.703  -3.627   2.523
  221   1HD2  LEU  25          1HD       LEU  25   3.887  -2.435   0.006
  222   2HD2  LEU  25          2HD       LEU  25   4.261  -4.155   0.075
  223   3HD2  LEU  25          3HD       LEU  25   3.090  -3.534  -1.111
  224    H    HIS  26           H        HIS  26  -0.360  -6.773  -1.552
  225    HA   HIS  26           HA       HIS  26   0.024  -9.392  -1.706
  226   1HB   HIS  26          2HB       HIS  26  -0.733 -10.494   0.401
  227   2HB   HIS  26          3HB       HIS  26   0.874  -9.846   0.454
  228    HD1  HIS  26           HD1      HIS  26  -2.655  -8.880   1.630
  229    HD2  HIS  26           HD2      HIS  26   1.391  -8.258   2.556
  230    HE1  HIS  26           HE1      HIS  26  -2.604  -7.652   3.887
  231    H    HIS  27           H        HIS  27  -1.602  -8.902  -3.228
  232    HA   HIS  27           HA       HIS  27  -3.656  -8.300  -4.032
  233   1HB   HIS  27          2HB       HIS  27  -4.721 -10.350  -2.080
  234   2HB   HIS  27          3HB       HIS  27  -5.195 -10.075  -3.754
  235    HD1  HIS  27           HD1      HIS  27  -2.788 -12.014  -1.597
  236    HD2  HIS  27           HD2      HIS  27  -3.343 -11.045  -5.662
  237    HE1  HIS  27           HE1      HIS  27  -1.287 -13.598  -2.948
  238    H    LYS  28           H        LYS  28  -3.110  -6.479  -1.808
  239    HA   LYS  28           HA       LYS  28  -5.814  -5.938  -0.732
  240   1HB   LYS  28          2HB       LYS  28  -3.168  -6.319   0.740
  241   2HB   LYS  28          3HB       LYS  28  -4.396  -5.241   1.381
  242   1HG   LYS  28          2HG       LYS  28  -4.860  -8.203   0.809
  243   2HG   LYS  28          3HG       LYS  28  -4.471  -7.503   2.386
  244   1HD   LYS  28          2HD       LYS  28  -6.584  -5.998   1.986
  245   2HD   LYS  28          3HD       LYS  28  -6.973  -7.188   0.732
  246   1HE   LYS  28          2HE       LYS  28  -6.513  -8.981   2.539
  247   2HE   LYS  28          3HE       LYS  28  -6.585  -7.648   3.703
  248   1HZ   LYS  28          1HZ       LYS  28  -8.849  -7.205   2.572
  249   2HZ   LYS  28          2HZ       LYS  28  -8.669  -8.680   1.930
  250   3HZ   LYS  28          3HZ       LYS  28  -8.765  -8.572   3.532
  251    H    VAL  29           H        VAL  29  -5.942  -3.563  -0.080
  252    HA   VAL  29           HA       VAL  29  -3.933  -1.966  -1.576
  253    HB   VAL  29           HB       VAL  29  -6.899  -2.005  -1.311
  254   1HG1  VAL  29          1HG       VAL  29  -6.902   0.341  -2.347
  255   2HG1  VAL  29          2HG       VAL  29  -6.668   0.110  -0.614
  256   3HG1  VAL  29          3HG       VAL  29  -5.267   0.499  -1.646
  257   1HG2  VAL  29          1HG       VAL  29  -5.097  -1.461  -3.576
  258   2HG2  VAL  29          2HG       VAL  29  -5.997  -2.980  -3.268
  259   3HG2  VAL  29          3HG       VAL  29  -6.878  -1.482  -3.663
  260    H    TYR  30           H        TYR  30  -2.631  -0.946  -0.163
  261    HA   TYR  30           HA       TYR  30  -3.618  -0.161   2.489
  262   1HB   TYR  30          2HB       TYR  30  -0.943  -0.817   1.199
  263   2HB   TYR  30          3HB       TYR  30  -1.061   0.016   2.720
  264    HD1  TYR  30           HD1      TYR  30  -0.453  -3.130   1.434
  265    HD2  TYR  30           HD2      TYR  30  -2.893  -1.189   4.369
  266    HE1  TYR  30           HE1      TYR  30  -0.602  -5.270   2.745
  267    HE2  TYR  30           HE2      TYR  30  -3.127  -3.336   5.598
  268    HH   TYR  30           HH       TYR  30  -1.159  -6.155   4.823
  269    H    ASP  31           H        ASP  31  -3.349   2.009   3.077
  270    HA   ASP  31           HA       ASP  31  -2.590   3.947   0.970
  271   1HB   ASP  31          2HB       ASP  31  -4.952   4.200   1.679
  272   2HB   ASP  31          3HB       ASP  31  -4.433   4.364   3.365
  273    H    LEU  32           H        LEU  32  -0.516   4.357   1.410
  274    HA   LEU  32           HA       LEU  32   0.298   4.659   4.242
  275   1HB   LEU  32          2HB       LEU  32   2.091   4.559   1.800
  276   2HB   LEU  32          3HB       LEU  32   2.535   4.429   3.499
  277    HG   LEU  32           HG       LEU  32   1.334   2.389   1.663
  278   1HD1  LEU  32          1HD       LEU  32   3.751   2.590   2.410
  279   2HD1  LEU  32          2HD       LEU  32   3.202   2.106   4.030
  280   3HD1  LEU  32          3HD       LEU  32   2.999   1.001   2.663
  281   1HD2  LEU  32          1HD       LEU  32   0.854   0.956   3.768
  282   2HD2  LEU  32          2HD       LEU  32   0.656   2.516   4.607
  283   3HD2  LEU  32          3HD       LEU  32  -0.374   2.063   3.241
  284    H    THR  33           H        THR  33  -1.284   6.576   2.409
  285    HA   THR  33           HA       THR  33   0.376   8.854   1.814
  286    HB   THR  33           HB       THR  33  -2.350   8.294   1.525
  287    HG1  THR  33          1HG       THR  33  -0.878  10.690   1.148
  288   1HG2  THR  33          1HG       THR  33  -1.948  10.802   3.122
  289   2HG2  THR  33          2HG       THR  33  -3.422  10.361   2.228
  290   3HG2  THR  33          3HG       THR  33  -2.963   9.391   3.601
  291    H    LYS  34           H        LYS  34  -1.652   8.205   4.702
  292    HA   LYS  34           HA       LYS  34  -0.447  10.585   5.871
  293   1HB   LYS  34          2HB       LYS  34  -2.856   9.354   6.243
  294   2HB   LYS  34          3HB       LYS  34  -1.984   8.687   7.624
  295   1HG   LYS  34          2HG       LYS  34  -1.470  11.570   7.344
  296   2HG   LYS  34          3HG       LYS  34  -3.195  11.241   7.303
  297   1HD   LYS  34          2HD       LYS  34  -3.053  10.009   9.427
  298   2HD   LYS  34          3HD       LYS  34  -1.296  10.206   9.480
  299   1HE   LYS  34          2HE       LYS  34  -2.996  12.683   9.212
  300   2HE   LYS  34          3HE       LYS  34  -3.026  11.843  10.766
  301   1HZ   LYS  34          1HZ       LYS  34  -1.038  13.539   9.793
  302   2HZ   LYS  34          2HZ       LYS  34  -1.124  12.786  11.254
  303   3HZ   LYS  34          3HZ       LYS  34  -0.369  12.046  10.001
  304    H    PHE  35           H        PHE  35   0.765   7.591   5.355
  305    HA   PHE  35           HA       PHE  35   2.264   7.370   7.866
  306   1HB   PHE  35          2HB       PHE  35   0.822   5.502   7.004
  307   2HB   PHE  35          3HB       PHE  35   1.826   5.442   5.578
  308    HD1  PHE  35          1HD       PHE  35   2.579   5.614   9.292
  309    HD2  PHE  35          2HD       PHE  35   3.242   3.656   5.524
  310    HE1  PHE  35          1HE       PHE  35   4.228   4.117  10.364
  311    HE2  PHE  35          2HE       PHE  35   4.797   2.093   6.587
  312    HZ   PHE  35           HZ       PHE  35   5.362   2.342   9.024
  313    H    LEU  36           H        LEU  36   2.452   8.488   4.651
  314    HA   LEU  36           HA       LEU  36   4.969   7.740   3.747
  315   1HB   LEU  36          2HB       LEU  36   3.304  10.282   3.510
  316   2HB   LEU  36          3HB       LEU  36   4.959  10.303   2.918
  317    HG   LEU  36           HG       LEU  36   2.680   8.594   1.879
  318   1HD1  LEU  36          1HD       LEU  36   3.122   9.936  -0.175
  319   2HD1  LEU  36          2HD       LEU  36   2.593  10.915   1.202
  320   3HD1  LEU  36          3HD       LEU  36   4.311  10.891   0.730
  321   1HD2  LEU  36          1HD       LEU  36   4.360   7.152   1.482
  322   2HD2  LEU  36          2HD       LEU  36   4.614   8.197   0.070
  323   3HD2  LEU  36          3HD       LEU  36   5.641   8.387   1.501
  324    H    GLU  37           H        GLU  37   4.808  10.895   5.337
  325    HA   GLU  37           HA       GLU  37   7.584  10.582   6.040
  326   1HB   GLU  37          2HB       GLU  37   7.193  12.684   7.255
  327   2HB   GLU  37          3HB       GLU  37   6.559  12.746   5.607
  328   1HG   GLU  37          2HG       GLU  37   4.261  12.341   6.445
  329   2HG   GLU  37          3HG       GLU  37   4.871  12.194   8.094
  330    H    GLU  38           H        GLU  38   4.759   9.193   7.366
  331    HA   GLU  38           HA       GLU  38   5.795   9.155  10.118
  332   1HB   GLU  38          2HB       GLU  38   3.182   9.059   8.909
  333   2HB   GLU  38          3HB       GLU  38   3.424   7.557   9.792
  334   1HG   GLU  38          2HG       GLU  38   4.328   9.312  11.659
  335   2HG   GLU  38          3HG       GLU  38   3.202  10.361  10.793
  336    H    HIS  39           HN       HIS  39   6.525   7.384   7.392
  337    HA   HIS  39           HA       HIS  39   6.404   4.786   8.621
  338   1HB   HIS  39          2HB       HIS  39   5.912   4.869   6.288
  339   2HB   HIS  39          3HB       HIS  39   7.357   5.770   5.948
  340    HD1  HIS  39           HND      HIS  39   8.849   4.286   4.564
  341    HD2  HIS  39           HD       HIS  39   6.834   2.117   7.511
  342    HE1  HIS  39           HE       HIS  39   9.555   1.944   4.284
  343    HA   PRO  40           HA       PRO  40  10.532   5.414  10.284
  344   1HB   PRO  40          2HB       PRO  40  10.850   2.945  11.468
  345   2HB   PRO  40          3HB       PRO  40   9.904   4.292  12.177
  346   1HG   PRO  40          2HG       PRO  40   8.927   1.853  10.755
  347   2HG   PRO  40          3HG       PRO  40   8.171   2.735  12.116
  348   1HD   PRO  40          2HD       PRO  40   7.480   2.934   9.417
  349   2HD   PRO  40          3HD       PRO  40   7.066   4.149  10.663
  350    H    GLY  41           H        GLY  41  11.567   5.575   8.265
  351   1HA   GLY  41          2HA       GLY  41  13.618   3.968   7.675
  352   2HA   GLY  41          3HA       GLY  41  12.314   3.104   6.833
  353    H    GLY  42           H        GLY  42  10.794   4.747   5.546
  354   1HA   GLY  42          2HA       GLY  42  12.262   6.950   4.328
  355   2HA   GLY  42          3HA       GLY  42  12.004   5.557   3.258
  356    H    GLU  43           H        GLU  43  10.908   7.723   2.526
  357    HA   GLU  43           HA       GLU  43   7.957   7.219   2.756
  358   1HB   GLU  43          2HB       GLU  43   7.558   9.580   2.654
  359   2HB   GLU  43          3HB       GLU  43   8.576   9.184   4.030
  360   1HG   GLU  43          2HG       GLU  43   9.837  10.885   3.427
  361   2HG   GLU  43          3HG       GLU  43  10.494   9.848   2.180
  362    H    GLU  44           H        GLU  44  10.625   8.434   0.729
  363    HA   GLU  44           HA       GLU  44   8.956   8.907  -1.563
  364   1HB   GLU  44          2HB       GLU  44  10.958   9.294  -2.768
  365   2HB   GLU  44          3HB       GLU  44  11.190   9.924  -1.133
  366   1HG   GLU  44          2HG       GLU  44  12.318   7.254  -2.087
  367   2HG   GLU  44          3HG       GLU  44  13.180   8.770  -2.111
  368    H    VAL  45           H        VAL  45  10.904   6.180  -0.429
  369    HA   VAL  45           HA       VAL  45  10.624   4.462  -2.662
  370    HB   VAL  45           HB       VAL  45  10.508   2.635  -0.899
  371   1HG1  VAL  45          1HG       VAL  45  12.586   3.420  -1.950
  372   2HG1  VAL  45          2HG       VAL  45  12.762   4.652  -0.679
  373   3HG1  VAL  45          3HG       VAL  45  12.843   2.920  -0.266
  374   1HG2  VAL  45          1HG       VAL  45  11.294   4.602   1.207
  375   2HG2  VAL  45          2HG       VAL  45   9.566   4.444   0.879
  376   3HG2  VAL  45          3HG       VAL  45  10.495   3.021   1.353
  377    H    LEU  46           H        LEU  46   8.232   5.680  -0.510
  378    HA   LEU  46           HA       LEU  46   6.396   3.365  -1.105
  379   1HB   LEU  46          2HB       LEU  46   5.555   5.966   0.131
  380   2HB   LEU  46          3HB       LEU  46   4.727   4.401   0.212
  381    HG   LEU  46           HG       LEU  46   7.252   5.314   1.620
  382   1HD1  LEU  46          1HD       LEU  46   4.496   5.129   2.392
  383   2HD1  LEU  46          2HD       LEU  46   5.392   3.914   3.320
  384   3HD1  LEU  46          3HD       LEU  46   5.886   5.617   3.367
  385   1HD2  LEU  46          1HD       LEU  46   6.224   2.467   1.779
  386   2HD2  LEU  46          2HD       LEU  46   7.606   2.965   0.782
  387   3HD2  LEU  46          3HD       LEU  46   7.675   3.180   2.522
  388    H    ARG  47           H        ARG  47   7.076   6.544  -2.371
  389    HA   ARG  47           HA       ARG  47   4.797   6.601  -4.207
  390   1HB   ARG  47          2HB       ARG  47   7.124   8.337  -3.520
  391   2HB   ARG  47          3HB       ARG  47   6.561   8.449  -5.191
  392   1HG   ARG  47          2HG       ARG  47   4.362   9.106  -4.543
  393   2HG   ARG  47          3HG       ARG  47   4.608   8.562  -2.877
  394   1HD   ARG  47          2HD       ARG  47   4.905  10.780  -2.501
  395   2HD   ARG  47          3HD       ARG  47   6.571  10.362  -2.917
  396    HE   ARG  47           HE       ARG  47   4.900  11.151  -5.178
  397   1HH1  ARG  47          2HH       ARG  47   7.075  12.278  -2.615
  398   2HH1  ARG  47          1HH       ARG  47   7.429  13.795  -3.342
  399   1HH2  ARG  47          2HH       ARG  47   5.326  13.221  -6.170
  400   2HH2  ARG  47          1HH       ARG  47   6.380  14.357  -5.406
  401    H    GLU  48           H        GLU  48   8.076   5.274  -4.201
  402    HA   GLU  48           HA       GLU  48   8.264   5.061  -7.090
  403   1HB   GLU  48          2HB       GLU  48   9.809   4.324  -4.713
  404   2HB   GLU  48          3HB       GLU  48   9.842   3.017  -5.879
  405   1HG   GLU  48          2HG       GLU  48  10.314   5.828  -6.892
  406   2HG   GLU  48          3HG       GLU  48  11.563   5.096  -5.889
  407    H    GLN  49           H        GLN  49   6.850   3.042  -4.540
  408    HA   GLN  49           HA       GLN  49   6.101   1.019  -6.621
  409   1HB   GLN  49          2HB       GLN  49   6.100   0.914  -3.593
  410   2HB   GLN  49          3HB       GLN  49   5.643  -0.411  -4.707
  411   1HG   GLN  49          2HG       GLN  49   8.413   0.835  -4.703
  412   2HG   GLN  49          3HG       GLN  49   7.951  -0.529  -3.688
  413   1HE2  GLN  49          1HE       GLN  49   9.914  -1.337  -5.200
  414   2HE2  GLN  49          2HE       GLN  49   9.339  -2.165  -6.647
  415    H    ALA  50           H        ALA  50   4.849   3.759  -5.349
  416    HA   ALA  50           HA       ALA  50   2.325   3.092  -4.379
  417   1HB   ALA  50          1HB       ALA  50   2.801   5.314  -4.070
  418   2HB   ALA  50          2HB       ALA  50   3.572   5.484  -5.678
  419   3HB   ALA  50          3HB       ALA  50   1.823   5.417  -5.539
  420    H    GLY  51           H        GLY  51   0.324   2.813  -5.276
  421   1HA   GLY  51          2HA       GLY  51  -1.277   2.194  -6.815
  422   2HA   GLY  51          3HA       GLY  51  -0.372   3.071  -8.052
  423    H    GLY  52           H        GLY  52   1.537   0.666  -6.342
  424   1HA   GLY  52          2HA       GLY  52   1.415  -1.167  -8.656
  425   2HA   GLY  52          3HA       GLY  52   2.915  -0.428  -8.044
  426    H    ASP  53           H        ASP  53   3.197  -2.997  -7.922
  427    HA   ASP  53           HA       ASP  53   1.967  -4.180  -5.590
  428   1HB   ASP  53          2HB       ASP  53   3.748  -5.936  -6.869
  429   2HB   ASP  53          3HB       ASP  53   1.988  -5.913  -6.865
  430    H    ALA  54           H        ALA  54   2.923  -2.982  -3.919
  431    HA   ALA  54           HA       ALA  54   5.852  -2.804  -3.821
  432   1HB   ALA  54          1HB       ALA  54   4.807  -0.861  -2.904
  433   2HB   ALA  54          2HB       ALA  54   3.608  -1.709  -2.042
  434   3HB   ALA  54          3HB       ALA  54   5.270  -1.671  -1.473
  435    H    THR  55           H        THR  55   3.488  -5.218  -3.300
  436    HA   THR  55           HA       THR  55   4.094  -6.628  -1.132
  437    HB   THR  55           HB       THR  55   4.065  -7.997  -3.872
  438    HG1  THR  55          1HG       THR  55   2.062  -6.373  -2.858
  439   1HG2  THR  55          1HG       THR  55   2.114  -8.960  -2.024
  440   2HG2  THR  55          2HG       THR  55   3.482  -9.809  -2.749
  441   3HG2  THR  55          3HG       THR  55   3.701  -8.908  -1.231
  442    H    GLU  56           H        GLU  56   6.029  -7.012  -4.155
  443    HA   GLU  56           HA       GLU  56   7.848  -8.885  -3.089
  444   1HB   GLU  56          2HB       GLU  56   9.393  -8.063  -4.846
  445   2HB   GLU  56          3HB       GLU  56   7.769  -8.424  -5.432
  446   1HG   GLU  56          2HG       GLU  56   7.337  -5.830  -5.081
  447   2HG   GLU  56          3HG       GLU  56   9.092  -5.716  -5.013
  448    H    ASN  57           H        ASN  57   7.864  -5.267  -2.928
  449    HA   ASN  57           HA       ASN  57  10.426  -5.099  -1.656
  450   1HB   ASN  57          2HB       ASN  57   8.303  -3.286  -2.451
  451   2HB   ASN  57          3HB       ASN  57   8.667  -2.977  -0.760
  452   1HD2  ASN  57          1HD       ASN  57  11.134  -2.780  -0.231
  453   2HD2  ASN  57          2HD       ASN  57  12.036  -1.893  -1.452
  454    H    PHE  58           H        PHE  58   7.120  -5.012  -0.395
  455    HA   PHE  58           HA       PHE  58   7.679  -4.983   2.407
  456   1HB   PHE  58          2HB       PHE  58   5.466  -4.779   1.805
  457   2HB   PHE  58          3HB       PHE  58   5.455  -6.243   0.828
  458    HD1  PHE  58          1HD       PHE  58   4.767  -8.316   1.719
  459    HD2  PHE  58          2HD       PHE  58   5.603  -5.027   4.378
  460    HE1  PHE  58          1HE       PHE  58   3.867  -9.622   3.618
  461    HE2  PHE  58          2HE       PHE  58   4.715  -6.339   6.280
  462    HZ   PHE  58           HZ       PHE  58   3.823  -8.635   5.899
  463    H    GLU  59           H        GLU  59   7.622  -7.988   0.382
  464    HA   GLU  59           HA       GLU  59   8.320  -9.642   2.683
  465   1HB   GLU  59          2HB       GLU  59   7.942  -9.970  -0.290
  466   2HB   GLU  59          3HB       GLU  59   8.828 -11.219   0.564
  467   1HG   GLU  59          2HG       GLU  59   6.114 -10.274   1.540
  468   2HG   GLU  59          3HG       GLU  59   6.277 -11.506   0.289
  469    H    ASP  60           H        ASP  60  10.125  -8.045   0.084
  470    HA   ASP  60           HA       ASP  60  12.553  -9.539   0.226
  471   1HB   ASP  60          2HB       ASP  60  11.604  -7.249  -1.241
  472   2HB   ASP  60          3HB       ASP  60  13.006  -6.696  -0.387
  473    H    VAL  61           H        VAL  61  11.462  -6.476   1.651
  474    HA   VAL  61           HA       VAL  61  13.834  -6.108   3.035
  475    HB   VAL  61           HB       VAL  61  12.701  -4.422   4.461
  476   1HG1  VAL  61          1HG       VAL  61  13.612  -3.694   2.359
  477   2HG1  VAL  61          2HG       VAL  61  12.188  -4.277   1.466
  478   3HG1  VAL  61          3HG       VAL  61  12.044  -2.909   2.597
  479   1HG2  VAL  61          1HG       VAL  61  10.559  -5.285   4.818
  480   2HG2  VAL  61          2HG       VAL  61  10.320  -3.910   3.705
  481   3HG2  VAL  61          3HG       VAL  61  10.267  -5.567   3.099
  482    H    GLY  62           H        GLY  62  10.821  -7.786   3.837
  483   1HA   GLY  62          2HA       GLY  62  10.645  -9.663   5.216
  484   2HA   GLY  62          3HA       GLY  62  12.313  -9.408   5.779
  485    H    HIS  63           HN       HIS  63   9.349  -7.431   5.717
  486    HA   HIS  63           HA       HIS  63  10.000  -5.748   7.712
  487   1HB   HIS  63          2HB       HIS  63   7.436  -6.648   6.447
  488   2HB   HIS  63          3HB       HIS  63   7.230  -5.761   7.927
  489    HD1  HIS  63           HND      HIS  63   8.153  -5.255   4.372
  490    HD2  HIS  63           HD       HIS  63   8.031  -3.130   7.985
  491    HE1  HIS  63           HE       HIS  63   8.167  -2.818   3.735
  492    H    SER  64           H        SER  64   9.166  -5.314   9.904
  493    HA   SER  64           HA       SER  64   9.240  -7.610  11.632
  494   1HB   SER  64          2HB       SER  64   8.743  -5.698  13.319
  495   2HB   SER  64          3HB       SER  64  10.272  -5.639  12.418
  496    HG   SER  64           HG       SER  64   8.570  -3.736  12.505
  497    H    THR  65           H        THR  65   7.490  -7.906  13.367
  498    HA   THR  65           HA       THR  65   4.986  -8.366  12.031
  499    HB   THR  65           HB       THR  65   6.065  -8.674  14.849
  500    HG1  THR  65          1HG       THR  65   6.748 -10.081  13.135
  501   1HG2  THR  65          1HG       THR  65   3.698  -8.307  15.152
  502   2HG2  THR  65          2HG       THR  65   3.309  -9.395  13.795
  503   3HG2  THR  65          3HG       THR  65   4.026 -10.042  15.295
  504    H    ASP  66           H        ASP  66   6.143  -5.940  14.441
  505    HA   ASP  66           HA       ASP  66   3.658  -4.753  14.989
  506   1HB   ASP  66          2HB       ASP  66   6.220  -4.341  15.798
  507   2HB   ASP  66          3HB       ASP  66   6.119  -3.035  14.621
  508    H    ALA  67           H        ALA  67   5.810  -4.521  12.232
  509    HA   ALA  67           HA       ALA  67   4.603  -2.240  10.972
  510   1HB   ALA  67          1HB       ALA  67   6.156  -2.771   9.234
  511   2HB   ALA  67          2HB       ALA  67   6.997  -3.278  10.675
  512   3HB   ALA  67          3HB       ALA  67   6.207  -4.478   9.666
  513    H    ARG  68           H        ARG  68   4.154  -5.823  10.716
  514    HA   ARG  68           HA       ARG  68   2.174  -5.632   8.704
  515   1HB   ARG  68          2HB       ARG  68   3.017  -7.674  10.702
  516   2HB   ARG  68          3HB       ARG  68   1.349  -7.837  10.198
  517   1HG   ARG  68          2HG       ARG  68   1.847  -8.582   8.164
  518   2HG   ARG  68          3HG       ARG  68   3.107  -7.381   7.885
  519   1HD   ARG  68          2HD       ARG  68   4.793  -8.720   8.594
  520   2HD   ARG  68          3HD       ARG  68   3.859  -9.448   9.895
  521    HE   ARG  68           HE       ARG  68   4.230 -10.474   7.235
  522   1HH1  ARG  68          2HH       ARG  68   2.056 -10.438  10.013
  523   2HH1  ARG  68          1HH       ARG  68   1.301 -11.952   9.669
  524   1HH2  ARG  68          2HH       ARG  68   3.192 -12.487   6.694
  525   2HH2  ARG  68          1HH       ARG  68   1.962 -13.140   7.713
  526    H    GLU  69           H        GLU  69   2.040  -4.782  12.215
  527    HA   GLU  69           HA       GLU  69  -0.872  -5.118  12.474
  528   1HB   GLU  69          2HB       GLU  69   1.253  -3.895  14.287
  529   2HB   GLU  69          3HB       GLU  69  -0.456  -3.777  14.621
  530   1HG   GLU  69          2HG       GLU  69   0.140  -6.538  13.996
  531   2HG   GLU  69          3HG       GLU  69   1.312  -5.957  15.184
  532    H    LEU  70           H        LEU  70   1.378  -2.172  12.211
  533    HA   LEU  70           HA       LEU  70  -0.725  -0.324  12.155
  534   1HB   LEU  70          2HB       LEU  70   1.956  -0.523  10.769
  535   2HB   LEU  70          3HB       LEU  70   0.957   0.905  10.739
  536    HG   LEU  70           HG       LEU  70   1.329   0.004  13.468
  537   1HD1  LEU  70          1HD       LEU  70   3.781   0.140  11.728
  538   2HD1  LEU  70          2HD       LEU  70   3.876   0.945  13.301
  539   3HD1  LEU  70          3HD       LEU  70   3.476  -0.759  13.231
  540   1HD2  LEU  70          1HD       LEU  70   2.217   2.375  13.674
  541   2HD2  LEU  70          2HD       LEU  70   1.878   2.547  11.938
  542   3HD2  LEU  70          3HD       LEU  70   0.562   2.171  13.083
  543    H    SER  71           H        SER  71   0.470  -2.641   9.682
  544    HA   SER  71           HA       SER  71  -0.738  -1.500   7.510
  545   1HB   SER  71          2HB       SER  71  -0.373  -3.395   6.358
  546   2HB   SER  71          3HB       SER  71   0.645  -3.728   7.764
  547    HG   SER  71           HG       SER  71  -1.717  -4.887   6.922
  548    H    LYS  72           H        LYS  72  -2.285  -3.173  10.141
  549    HA   LYS  72           HA       LYS  72  -4.799  -3.673   8.986
  550   1HB   LYS  72          2HB       LYS  72  -3.678  -4.267  11.364
  551   2HB   LYS  72          3HB       LYS  72  -4.559  -2.827  11.879
  552   1HG   LYS  72          2HG       LYS  72  -6.169  -4.465  12.259
  553   2HG   LYS  72          3HG       LYS  72  -6.582  -4.040  10.584
  554   1HD   LYS  72          2HD       LYS  72  -5.066  -5.878   9.795
  555   2HD   LYS  72          3HD       LYS  72  -4.747  -6.326  11.474
  556   1HE   LYS  72          2HE       LYS  72  -7.623  -6.127  10.631
  557   2HE   LYS  72          3HE       LYS  72  -6.671  -7.460   9.944
  558   1HZ   LYS  72          1HZ       LYS  72  -6.069  -8.077  12.218
  559   2HZ   LYS  72          2HZ       LYS  72  -7.081  -6.929  12.814
  560   3HZ   LYS  72          3HZ       LYS  72  -7.685  -8.190  11.947
  561    H    THR  73           H        THR  73  -3.531  -0.644  10.432
  562    HA   THR  73           HA       THR  73  -6.173   0.632  10.103
  563    HB   THR  73           HB       THR  73  -4.533   0.881  12.103
  564    HG1  THR  73          1HG       THR  73  -5.353   3.100  12.262
  565   1HG2  THR  73          1HG       THR  73  -3.101   2.817  12.056
  566   2HG2  THR  73          2HG       THR  73  -2.588   1.719  10.772
  567   3HG2  THR  73          3HG       THR  73  -3.541   3.170  10.376
  568    H    PHE  74           H        PHE  74  -3.640  -0.091   8.053
  569    HA   PHE  74           HA       PHE  74  -3.789   2.437   6.483
  570   1HB   PHE  74          2HB       PHE  74  -2.096  -0.065   6.226
  571   2HB   PHE  74          3HB       PHE  74  -1.995   1.358   5.191
  572    HD1  PHE  74          1HD       PHE  74  -2.501   2.755   8.398
  573    HD2  PHE  74          2HD       PHE  74   0.354   0.587   6.007
  574    HE1  PHE  74          1HE       PHE  74  -0.690   3.564   9.840
  575    HE2  PHE  74          2HE       PHE  74   2.165   1.543   7.323
  576    HZ   PHE  74           HZ       PHE  74   1.639   2.899   9.347
  577    H    ILE  75           H        ILE  75  -4.836  -1.020   6.373
  578    HA   ILE  75           HA       ILE  75  -5.241  -1.040   3.568
  579    HB   ILE  75           HB       ILE  75  -5.568  -2.788   5.748
  580   1HG1  ILE  75          2HG       ILE  75  -6.405  -3.443   2.935
  581   2HG1  ILE  75          3HG       ILE  75  -4.732  -3.098   3.301
  582   1HG2  ILE  75          1HG       ILE  75  -8.237  -2.505   4.302
  583   2HG2  ILE  75          2HG       ILE  75  -7.778  -3.825   5.381
  584   3HG2  ILE  75          3HG       ILE  75  -7.922  -2.182   6.019
  585   1HD1  ILE  75          1HD       ILE  75  -6.396  -5.392   4.361
  586   2HD1  ILE  75          2HD       ILE  75  -4.825  -5.434   3.537
  587   3HD1  ILE  75          3HD       ILE  75  -4.917  -4.867   5.195
  588    H    ILE  76           H        ILE  76  -6.684  -0.068   2.346
  589    HA   ILE  76           HA       ILE  76  -9.077   1.178   3.638
  590    HB   ILE  76           HB       ILE  76  -8.947   2.940   1.938
  591   1HG1  ILE  76          2HG       ILE  76  -6.521   3.104   0.782
  592   2HG1  ILE  76          3HG       ILE  76  -6.493   1.397   0.997
  593   1HG2  ILE  76          1HG       ILE  76  -6.250   2.775   3.267
  594   2HG2  ILE  76          2HG       ILE  76  -7.249   4.199   2.941
  595   3HG2  ILE  76          3HG       ILE  76  -7.737   3.037   4.202
  596   1HD1  ILE  76          1HD       ILE  76  -7.362   2.270  -1.196
  597   2HD1  ILE  76          2HD       ILE  76  -8.559   1.280  -0.364
  598   3HD1  ILE  76          3HD       ILE  76  -8.676   3.069  -0.318
  599    H    GLY  77           H        GLY  77  -8.014  -1.323   1.576
  600   1HA   GLY  77          2HA       GLY  77 -10.652  -1.959   0.717
  601   2HA   GLY  77          3HA       GLY  77  -9.753  -1.191  -0.584
  602    H    GLU  78           H        GLU  78 -10.232  -3.487  -1.432
  603    HA   GLU  78           HA       GLU  78  -7.761  -5.026  -1.129
  604   1HB   GLU  78          2HB       GLU  78  -9.403  -6.232   0.232
  605   2HB   GLU  78          3HB       GLU  78 -10.593  -6.167  -1.086
  606   1HG   GLU  78          2HG       GLU  78  -9.132  -7.655  -2.443
  607   2HG   GLU  78          3HG       GLU  78  -7.961  -7.645  -1.139
  608    H    LEU  79           H        LEU  79  -7.344  -6.170  -3.203
  609    HA   LEU  79           HA       LEU  79  -8.066  -4.834  -5.612
  610   1HB   LEU  79          2HB       LEU  79  -6.781  -7.403  -4.718
  611   2HB   LEU  79          3HB       LEU  79  -7.516  -7.443  -6.307
  612    HG   LEU  79           HG       LEU  79  -6.217  -5.547  -7.058
  613   1HD1  LEU  79          1HD       LEU  79  -6.025  -4.212  -5.094
  614   2HD1  LEU  79          2HD       LEU  79  -5.055  -5.457  -4.261
  615   3HD1  LEU  79          3HD       LEU  79  -4.422  -4.588  -5.693
  616   1HD2  LEU  79          1HD       LEU  79  -4.947  -7.393  -7.577
  617   2HD2  LEU  79          2HD       LEU  79  -3.808  -6.628  -6.462
  618   3HD2  LEU  79          3HD       LEU  79  -4.848  -7.953  -5.901
  619    H    HIS  80           H        HIS  80  -9.811  -5.023  -6.909
  620    HA   HIS  80           HA       HIS  80 -12.264  -5.894  -6.013
  621   1HB   HIS  80          2HB       HIS  80 -11.166  -4.994  -8.504
  622   2HB   HIS  80          3HB       HIS  80 -12.149  -6.416  -8.852
  623    HD1  HIS  80           HD1      HIS  80 -14.450  -5.421  -9.650
  624    HD2  HIS  80           HD2      HIS  80 -12.606  -3.353  -6.503
  625    HE1  HIS  80           HE1      HIS  80 -16.040  -3.516  -8.994
  626    HA   PRO  81           HA       PRO  81 -12.330 -10.217  -6.137
  627   1HB   PRO  81          2HB       PRO  81 -14.923 -10.840  -6.965
  628   2HB   PRO  81          3HB       PRO  81 -14.477 -10.266  -5.331
  629   1HG   PRO  81          2HG       PRO  81 -15.723  -8.731  -7.583
  630   2HG   PRO  81          3HG       PRO  81 -15.926  -8.518  -5.818
  631   1HD   PRO  81          2HD       PRO  81 -14.293  -6.993  -7.511
  632   2HD   PRO  81          3HD       PRO  81 -14.156  -7.042  -5.728
  633    H    ASP  82           H        ASP  82 -13.009  -8.462  -9.068
  634    HA   ASP  82           HA       ASP  82 -12.628 -10.845 -10.745
  635   1HB   ASP  82          2HB       ASP  82 -13.976  -8.296 -11.001
  636   2HB   ASP  82          3HB       ASP  82 -12.736  -8.361 -12.238
  637    H    ASP  83           H        ASP  83 -10.587  -8.850  -9.052
  638    HA   ASP  83           HA       ASP  83  -8.594  -8.422 -11.169
  639   1HB   ASP  83          2HB       ASP  83  -8.503  -7.853  -8.184
  640   2HB   ASP  83          3HB       ASP  83  -7.263  -7.402  -9.342
  641    H    ARG  84           H        ARG  84  -9.041 -10.292  -8.173
  642    HA   ARG  84           HA       ARG  84  -6.456 -11.433  -8.026
  643   1HB   ARG  84          2HB       ARG  84  -8.335 -11.451  -6.280
  644   2HB   ARG  84          3HB       ARG  84  -9.052 -12.786  -7.179
  645   1HG   ARG  84          2HG       ARG  84  -7.735 -14.225  -6.074
  646   2HG   ARG  84          3HG       ARG  84  -6.294 -13.481  -6.772
  647   1HD   ARG  84          2HD       ARG  84  -6.147 -11.868  -4.974
  648   2HD   ARG  84          3HD       ARG  84  -7.688 -12.385  -4.288
  649    HE   ARG  84           HE       ARG  84  -5.093 -13.601  -3.943
  650   1HH1  ARG  84          2HH       ARG  84  -8.562 -14.264  -3.987
  651   2HH1  ARG  84          1HH       ARG  84  -8.486 -15.694  -3.025
  652   1HH2  ARG  84          2HH       ARG  84  -4.953 -15.526  -2.619
  653   2HH2  ARG  84          1HH       ARG  84  -6.378 -16.412  -2.213
  654    H    SER  85           H        SER  85  -9.270 -12.391  -9.934
  655    HA   SER  85           HA       SER  85  -7.881 -14.779 -10.988
  656   1HB   SER  85          2HB       SER  85 -10.651 -13.686 -10.949
  657   2HB   SER  85          3HB       SER  85 -10.192 -14.503 -12.453
  658    HG   SER  85           HG       SER  85 -11.045 -15.927 -10.864
  659    H    LYS  86           H        LYS  86  -8.057 -11.428 -11.744
  660    HA   LYS  86           HA       LYS  86  -7.901 -11.727 -14.621
  661   1HB   LYS  86          2HB       LYS  86  -8.516  -9.589 -13.090
  662   2HB   LYS  86          3HB       LYS  86  -6.792  -9.296 -13.194
  663   1HG   LYS  86          2HG       LYS  86  -7.236  -9.788 -15.792
  664   2HG   LYS  86          3HG       LYS  86  -8.900  -9.368 -15.354
  665   1HD   LYS  86          2HD       LYS  86  -8.220  -7.176 -14.591
  666   2HD   LYS  86          3HD       LYS  86  -6.490  -7.597 -14.742
  667   1HE   LYS  86          2HE       LYS  86  -6.624  -7.818 -17.116
  668   2HE   LYS  86          3HE       LYS  86  -8.393  -7.796 -17.095
  669   1HZ   LYS  86          1HZ       LYS  86  -8.270  -5.494 -16.336
  670   2HZ   LYS  86          2HZ       LYS  86  -6.628  -5.512 -16.487
  671   3HZ   LYS  86          3HZ       LYS  86  -7.583  -5.696 -17.815
  672    H    LEU  87           H        LEU  87  -5.595 -11.099 -11.980
  673    HA   LEU  87           HA       LEU  87  -3.293 -10.839 -13.695
  674   1HB   LEU  87          2HB       LEU  87  -3.562 -11.585 -10.754
  675   2HB   LEU  87          3HB       LEU  87  -2.019 -11.221 -11.529
  676    HG   LEU  87           HG       LEU  87  -4.291  -9.206 -11.619
  677   1HD1  LEU  87          1HD       LEU  87  -2.204  -9.390  -9.412
  678   2HD1  LEU  87          2HD       LEU  87  -3.478  -8.164  -9.596
  679   3HD1  LEU  87          3HD       LEU  87  -3.915  -9.841  -9.237
  680   1HD2  LEU  87          1HD       LEU  87  -2.218  -8.912 -13.062
  681   2HD2  LEU  87          2HD       LEU  87  -2.517  -7.595 -11.914
  682   3HD2  LEU  87          3HD       LEU  87  -1.269  -8.803 -11.564
  683    H    SER  88           H        SER  88  -1.509 -12.439 -13.828
  684    HA   SER  88           HA       SER  88  -0.741 -14.456 -14.511
  685   1HB   SER  88          2HB       SER  88  -0.934 -14.810 -12.054
  686   2HB   SER  88          3HB       SER  88  -2.519 -15.567 -12.318
  687    HG   SER  88           HG       SER  88  -1.516 -17.089 -13.626
  688    H    LYS  89           H        LYS  89  -2.565 -13.659 -16.335
  689    HA   LYS  89           HA       LYS  89  -3.531 -16.266 -17.277
  690   1HB   LYS  89          2HB       LYS  89  -5.325 -14.021 -16.450
  691   2HB   LYS  89          3HB       LYS  89  -5.672 -14.737 -18.014
  692   1HG   LYS  89          2HG       LYS  89  -5.280 -16.962 -16.266
  693   2HG   LYS  89          3HG       LYS  89  -6.218 -15.777 -15.352
  694   1HD   LYS  89          2HD       LYS  89  -7.846 -17.059 -16.502
  695   2HD   LYS  89          3HD       LYS  89  -7.711 -15.583 -17.457
  696   1HE   LYS  89          2HE       LYS  89  -7.301 -16.896 -19.259
  697   2HE   LYS  89          3HE       LYS  89  -5.716 -17.217 -18.549
  698   1HZ   LYS  89          1HZ       LYS  89  -6.839 -19.259 -19.039
  699   2HZ   LYS  89          2HZ       LYS  89  -6.722 -19.115 -17.402
  700   3HZ   LYS  89          3HZ       LYS  89  -8.157 -18.827 -18.156
  701    HA   PRO  90           HA       PRO  90  -1.585 -13.774 -20.570
  702   1HB   PRO  90          2HB       PRO  90  -0.589 -15.929 -22.006
  703   2HB   PRO  90          3HB       PRO  90   0.270 -15.120 -20.665
  704   1HG   PRO  90          2HG       PRO  90  -1.149 -17.750 -20.660
  705   2HG   PRO  90          3HG       PRO  90   0.232 -17.202 -19.666
  706   1HD   PRO  90          2HD       PRO  90  -2.492 -17.325 -18.888
  707   2HD   PRO  90          3HD       PRO  90  -1.185 -16.485 -17.999
  708    H    MET  91           H        MET  91  -2.664 -13.206 -22.485
  709    HA   MET  91           HA       MET  91  -4.200 -15.151 -23.941
  710   1HB   MET  91          2HB       MET  91  -5.648 -13.976 -21.894
  711   2HB   MET  91          3HB       MET  91  -5.857 -12.773 -23.168
  712   1HG   MET  91          2HG       MET  91  -6.315 -15.050 -24.597
  713   2HG   MET  91          3HG       MET  91  -6.795 -15.608 -22.996
  714   1HE   MET  91          1HE       MET  91 -10.168 -15.029 -24.888
  715   2HE   MET  91          2HE       MET  91  -8.631 -15.532 -25.632
  716   3HE   MET  91          3HE       MET  91  -9.113 -16.192 -24.051
  717    H    GLU  92           H        GLU  92  -5.147 -13.972 -25.982
  718    HA   GLU  92           HA       GLU  92  -4.223 -11.264 -26.430
  719   1HB   GLU  92          2HB       GLU  92  -2.237 -12.613 -27.038
  720   2HB   GLU  92          3HB       GLU  92  -3.218 -13.593 -28.137
  721   1HG   GLU  92          2HG       GLU  92  -3.698 -11.615 -29.519
  722   2HG   GLU  92          3HG       GLU  92  -2.853 -10.571 -28.367
  723    H    THR  93           H        THR  93  -5.864 -10.303 -27.646
  724    HA   THR  93           HA       THR  93  -7.416 -11.869 -29.536
  725    HB   THR  93           HB       THR  93  -8.650 -10.410 -27.151
  726    HG1  THR  93          1HG       THR  93  -8.309 -12.537 -26.706
  727   1HG2  THR  93          1HG       THR  93 -10.051 -11.477 -29.642
  728   2HG2  THR  93          2HG       THR  93 -10.853 -10.933 -28.153
  729   3HG2  THR  93          3HG       THR  93  -9.952  -9.771 -29.131
  730    H    LEU  94           H        LEU  94  -8.120 -10.446 -31.198
  731    HA   LEU  94           HA       LEU  94  -6.509  -8.105 -31.531
  732   1HB   LEU  94          2HB       LEU  94  -7.155  -8.151 -33.698
  733   2HB   LEU  94          3HB       LEU  94  -7.505  -9.803 -33.280
  734    HG   LEU  94           HG       LEU  94  -9.270  -9.180 -34.564
  735   1HD1  LEU  94          1HD       LEU  94 -10.769  -8.420 -32.096
  736   2HD1  LEU  94          2HD       LEU  94 -11.149  -9.589 -33.367
  737   3HD1  LEU  94          3HD       LEU  94  -9.949  -9.981 -32.125
  738   1HD2  LEU  94          1HD       LEU  94 -10.408  -6.757 -33.512
  739   2HD2  LEU  94          2HD       LEU  94  -8.693  -6.505 -33.820
  740   3HD2  LEU  94          3HD       LEU  94  -9.737  -7.097 -35.120
  741    HHA  HEM  95          MHG       HEM  95  11.734  -0.793   8.709
  742    HHB  HEM  95          MHD       HEM  95   5.450  -0.259   9.702
  743    HHC  HEM  95          MHA       HEM  95   4.498  -0.694   3.354
  744    HHD  HEM  95          MHB       HEM  95  10.815  -0.169   2.336
  745   1HMA  HEM  95          1HM       HEM  95   6.897   0.398  11.801
  746   2HMA  HEM  95          2HM       HEM  95   6.597  -1.332  11.674
  747   3HMA  HEM  95          3HM       HEM  95   8.057  -0.757  12.473
  748   1HAA  HEM  95          1HP       HEM  95  11.046  -1.956  10.698
  749   2HAA  HEM  95          2HP       HEM  95  10.101  -1.382  12.049
  750   1HBA  HEM  95          3HP       HEM  95  11.180   0.654  12.160
  751   2HBA  HEM  95          4HP       HEM  95  11.477   0.726  10.428
  752   1HMB  HEM  95          1HM       HEM  95   2.071  -0.745   8.137
  753   2HMB  HEM  95          2HM       HEM  95   3.408  -1.162   9.225
  754   3HMB  HEM  95          3HM       HEM  95   3.062   0.513   8.948
  755    HAB  HEM  95          AHT       HEM  95   2.436  -0.375   4.351
  756   1HBB  HEM  95          CHV       HEM  95   1.930  -2.479   6.466
  757   2HBB  HEM  95          THV       HEM  95   0.773  -1.910   5.104
  758   1HMC  HEM  95          1HM       HEM  95   5.384  -1.649   1.169
  759   2HMC  HEM  95          2HM       HEM  95   4.916   0.075   1.080
  760   3HMC  HEM  95          3HM       HEM  95   6.146  -0.575  -0.025
  761    HAC  HEM  95          AHT       HEM  95   9.816  -0.576   0.307
  762   1HBC  HEM  95          THV       HEM  95   9.004   0.782  -1.480
  763   2HBC  HEM  95          CHV       HEM  95   7.415   1.102  -0.574
  764   1HMD  HEM  95          1HM       HEM  95  12.936  -0.515   2.675
  765   2HMD  HEM  95          2HM       HEM  95  13.470   0.934   3.543
  766   3HMD  HEM  95          3HM       HEM  95  14.168  -0.669   3.917
  767   1HAD  HEM  95          1HP       HEM  95  14.303  -1.224   6.596
  768   2HAD  HEM  95          2HP       HEM  95  13.566  -0.256   7.850
  769   1HBD  HEM  95          3HP       HEM  95  14.884   1.423   7.334
  770   2HBD  HEM  95          4HP       HEM  95  13.964   1.640   5.852
  Start of MODEL   36
    1   1H    ASP   1           H1       ASP   1  -9.752   5.261   7.658
    2   2H    ASP   1           H2       ASP   1  -8.589   5.188   8.824
    3   3H    ASP   1           H3       ASP   1  -8.355   6.166   7.534
    4    HA   ASP   1           HA       ASP   1  -8.382   4.168   6.109
    5   1HB   ASP   1          2HB       ASP   1  -6.123   3.296   7.144
    6   2HB   ASP   1          3HB       ASP   1  -6.265   4.792   6.251
    7    H    LYS   2           H        LYS   2 -10.028   2.664   6.290
    8    HA   LYS   2           HA       LYS   2  -9.840   0.528   8.135
    9   1HB   LYS   2          2HB       LYS   2 -10.930   2.892   9.273
   10   2HB   LYS   2          3HB       LYS   2 -12.352   1.989   8.760
   11   1HG   LYS   2          2HG       LYS   2 -11.491  -0.005  10.021
   12   2HG   LYS   2          3HG       LYS   2 -10.077   0.947  10.494
   13   1HD   LYS   2          2HD       LYS   2 -11.549   0.951  12.336
   14   2HD   LYS   2          3HD       LYS   2 -11.611   2.574  11.664
   15   1HE   LYS   2          2HE       LYS   2 -13.661   0.487  10.818
   16   2HE   LYS   2          3HE       LYS   2 -13.783   1.236  12.412
   17   1HZ   LYS   2          1HZ       LYS   2 -13.667   3.414  11.149
   18   2HZ   LYS   2          2HZ       LYS   2 -14.066   2.534   9.807
   19   3HZ   LYS   2          3HZ       LYS   2 -15.068   2.561  11.101
   20    H    ASP   3           H        ASP   3 -12.018  -0.721   7.981
   21    HA   ASP   3           HA       ASP   3 -13.707  -1.663   6.829
   22   1HB   ASP   3          2HB       ASP   3 -14.328   0.973   6.736
   23   2HB   ASP   3          3HB       ASP   3 -14.197   0.650   5.003
   24    H    VAL   4           H        VAL   4 -14.423  -2.037   4.233
   25    HA   VAL   4           HA       VAL   4 -11.882  -2.303   2.744
   26    HB   VAL   4           HB       VAL   4 -13.894  -4.565   2.788
   27   1HG1  VAL   4          1HG       VAL   4 -12.235  -4.409   0.969
   28   2HG1  VAL   4          2HG       VAL   4 -10.922  -4.385   2.178
   29   3HG1  VAL   4          3HG       VAL   4 -11.954  -5.821   2.000
   30   1HG2  VAL   4          1HG       VAL   4 -12.376  -5.743   4.383
   31   2HG2  VAL   4          2HG       VAL   4 -11.500  -4.219   4.649
   32   3HG2  VAL   4          3HG       VAL   4 -13.206  -4.378   5.135
   33    H    LYS   5           H        LYS   5 -12.675  -0.413   1.588
   34    HA   LYS   5           HA       LYS   5 -15.237  -0.707   0.158
   35   1HB   LYS   5          2HB       LYS   5 -14.478   1.413   1.289
   36   2HB   LYS   5          3HB       LYS   5 -13.176   1.531   0.105
   37   1HG   LYS   5          2HG       LYS   5 -14.898   1.681  -1.720
   38   2HG   LYS   5          3HG       LYS   5 -16.178   1.576  -0.507
   39   1HD   LYS   5          2HD       LYS   5 -14.028   3.653  -0.144
   40   2HD   LYS   5          3HD       LYS   5 -15.199   3.928  -1.432
   41   1HE   LYS   5          2HE       LYS   5 -16.140   3.202   1.354
   42   2HE   LYS   5          3HE       LYS   5 -15.616   4.856   0.998
   43   1HZ   LYS   5          1HZ       LYS   5 -17.730   3.427  -0.477
   44   2HZ   LYS   5          2HZ       LYS   5 -17.981   4.583   0.672
   45   3HZ   LYS   5          3HZ       LYS   5 -17.238   4.974  -0.743
   46    H    TYR   6           H        TYR   6 -13.795  -2.755  -0.666
   47    HA   TYR   6           HA       TYR   6 -12.316  -3.469  -2.438
   48   1HB   TYR   6          2HB       TYR   6 -15.226  -3.646  -2.341
   49   2HB   TYR   6          3HB       TYR   6 -14.656  -3.792  -3.978
   50    HD1  TYR   6           HD1      TYR   6 -15.556  -5.743  -1.304
   51    HD2  TYR   6           HD2      TYR   6 -12.335  -5.270  -4.129
   52    HE1  TYR   6           HE1      TYR   6 -15.039  -8.152  -1.101
   53    HE2  TYR   6           HE2      TYR   6 -11.823  -7.712  -3.923
   54    HH   TYR   6           HH       TYR   6 -13.544  -9.880  -1.729
   55    H    TYR   7           H        TYR   7 -10.947  -2.113  -3.628
   56    HA   TYR   7           HA       TYR   7 -12.213  -0.289  -5.562
   57   1HB   TYR   7          2HB       TYR   7  -9.634  -0.413  -3.986
   58   2HB   TYR   7          3HB       TYR   7  -9.703   0.493  -5.418
   59    HD1  TYR   7           HD1      TYR   7 -12.043   2.005  -5.615
   60    HD2  TYR   7           HD2      TYR   7 -10.132   0.747  -1.984
   61    HE1  TYR   7           HE1      TYR   7 -12.945   3.989  -4.491
   62    HE2  TYR   7           HE2      TYR   7 -11.160   2.684  -0.780
   63    HH   TYR   7           HH       TYR   7 -12.752   5.309  -2.555
   64    H    THR   8           H        THR   8 -11.268  -0.077  -7.682
   65    HA   THR   8           HA       THR   8 -10.457  -2.698  -8.794
   66    HB   THR   8           HB       THR   8 -10.826  -1.402 -10.962
   67    HG1  THR   8          1HG       THR   8 -12.025   0.555 -10.682
   68   1HG2  THR   8          1HG       THR   8 -13.273  -1.389  -9.151
   69   2HG2  THR   8          2HG       THR   8 -13.229  -1.552 -10.914
   70   3HG2  THR   8          3HG       THR   8 -12.601  -2.863  -9.901
   71    H    LEU   9           H        LEU   9  -8.462  -2.892  -9.951
   72    HA   LEU   9           HA       LEU   9  -6.241  -1.597  -9.078
   73   1HB   LEU   9          2HB       LEU   9  -6.441  -2.364 -12.009
   74   2HB   LEU   9          3HB       LEU   9  -5.021  -2.280 -10.980
   75    HG   LEU   9           HG       LEU   9  -5.440  -4.536 -11.242
   76   1HD1  LEU   9          1HD       LEU   9  -6.710  -3.804  -8.566
   77   2HD1  LEU   9          2HD       LEU   9  -5.865  -5.309  -8.975
   78   3HD1  LEU   9          3HD       LEU   9  -4.961  -3.795  -8.922
   79   1HD2  LEU   9          1HD       LEU   9  -8.141  -4.880 -10.217
   80   2HD2  LEU   9          2HD       LEU   9  -8.137  -3.782 -11.629
   81   3HD2  LEU   9          3HD       LEU   9  -7.453  -5.376 -11.780
   82    H    GLU  10           H        GLU  10  -8.414  -0.411 -11.679
   83    HA   GLU  10           HA       GLU  10  -6.586   1.591 -12.556
   84   1HB   GLU  10          2HB       GLU  10  -8.930   0.731 -13.572
   85   2HB   GLU  10          3HB       GLU  10  -9.504   2.200 -12.746
   86   1HG   GLU  10          2HG       GLU  10  -7.500   3.406 -13.817
   87   2HG   GLU  10          3HG       GLU  10  -7.220   1.945 -14.766
   88    H    GLU  11           H        GLU  11  -9.089   1.603  -9.962
   89    HA   GLU  11           HA       GLU  11  -8.813   4.373  -9.361
   90   1HB   GLU  11          2HB       GLU  11 -10.706   2.957  -8.578
   91   2HB   GLU  11          3HB       GLU  11  -9.587   2.054  -7.552
   92   1HG   GLU  11          2HG       GLU  11 -10.573   3.578  -6.110
   93   2HG   GLU  11          3HG       GLU  11  -9.008   4.263  -6.400
   94    H    ILE  12           H        ILE  12  -7.215   1.440  -7.894
   95    HA   ILE  12           HA       ILE  12  -5.754   2.990  -6.029
   96    HB   ILE  12           HB       ILE  12  -4.875   0.359  -7.291
   97   1HG1  ILE  12          2HG       ILE  12  -6.014   0.191  -4.596
   98   2HG1  ILE  12          3HG       ILE  12  -7.113   1.002  -5.659
   99   1HG2  ILE  12          1HG       ILE  12  -4.248   1.271  -4.434
  100   2HG2  ILE  12          2HG       ILE  12  -3.388   0.101  -5.453
  101   3HG2  ILE  12          3HG       ILE  12  -3.264   1.858  -5.718
  102   1HD1  ILE  12          1HD       ILE  12  -5.785  -1.625  -6.463
  103   2HD1  ILE  12          2HD       ILE  12  -7.265  -1.594  -5.476
  104   3HD1  ILE  12          3HD       ILE  12  -7.274  -0.906  -7.080
  105    H    LYS  13           H        LYS  13  -4.992   2.084  -9.385
  106    HA   LYS  13           HA       LYS  13  -2.400   3.368  -9.480
  107   1HB   LYS  13          2HB       LYS  13  -4.352   2.443 -11.630
  108   2HB   LYS  13          3HB       LYS  13  -2.721   3.056 -11.964
  109   1HG   LYS  13          2HG       LYS  13  -1.712   1.353 -10.611
  110   2HG   LYS  13          3HG       LYS  13  -3.263   0.665 -10.136
  111   1HD   LYS  13          2HD       LYS  13  -1.939   0.644 -12.862
  112   2HD   LYS  13          3HD       LYS  13  -2.253  -0.731 -11.791
  113   1HE   LYS  13          2HE       LYS  13  -4.270  -1.076 -12.660
  114   2HE   LYS  13          3HE       LYS  13  -4.759   0.580 -12.308
  115   1HZ   LYS  13          1HZ       LYS  13  -3.774   1.262 -14.388
  116   2HZ   LYS  13          2HZ       LYS  13  -3.276  -0.275 -14.710
  117   3HZ   LYS  13          3HZ       LYS  13  -4.883   0.076 -14.661
  118    H    LYS  14           H        LYS  14  -5.669   4.602  -9.646
  119    HA   LYS  14           HA       LYS  14  -4.877   7.096 -10.969
  120   1HB   LYS  14          2HB       LYS  14  -7.404   5.942  -9.900
  121   2HB   LYS  14          3HB       LYS  14  -7.200   7.625  -9.460
  122   1HG   LYS  14          2HG       LYS  14  -8.328   7.717 -11.509
  123   2HG   LYS  14          3HG       LYS  14  -6.643   8.064 -11.933
  124   1HD   LYS  14          2HD       LYS  14  -6.435   5.499 -12.333
  125   2HD   LYS  14          3HD       LYS  14  -8.202   5.467 -12.224
  126   1HE   LYS  14          2HE       LYS  14  -7.742   5.631 -14.545
  127   2HE   LYS  14          3HE       LYS  14  -8.187   7.273 -14.067
  128   1HZ   LYS  14          1HZ       LYS  14  -6.195   7.212 -15.430
  129   2HZ   LYS  14          2HZ       LYS  14  -5.827   7.785 -13.925
  130   3HZ   LYS  14          3HZ       LYS  14  -5.435   6.242 -14.339
  131    H    HIS  15           H        HIS  15  -4.632   5.809  -7.665
  132    HA   HIS  15           HA       HIS  15  -4.340   8.609  -6.733
  133   1HB   HIS  15          2HB       HIS  15  -4.261   6.050  -5.116
  134   2HB   HIS  15          3HB       HIS  15  -4.175   7.752  -4.582
  135    HD1  HIS  15           HD1      HIS  15  -6.429   9.153  -4.431
  136    HD2  HIS  15           HD2      HIS  15  -6.755   5.189  -5.806
  137    HE1  HIS  15           HE1      HIS  15  -8.907   8.571  -4.427
  138    H    ASN  16           H        ASN  16  -2.195   6.815  -4.954
  139    HA   ASN  16           HA       ASN  16   0.058   6.610  -4.972
  140   1HB   ASN  16          2HB       ASN  16   0.964   5.656  -6.769
  141   2HB   ASN  16          3HB       ASN  16  -0.469   5.990  -7.685
  142   1HD2  ASN  16          1HD       ASN  16  -0.467   8.138  -8.959
  143   2HD2  ASN  16          2HD       ASN  16   1.100   8.719  -9.485
  144    H    HIS  17           H        HIS  17  -1.523   9.439  -5.657
  145    HA   HIS  17           HA       HIS  17   0.922  11.044  -6.066
  146   1HB   HIS  17          2HB       HIS  17  -2.037  11.727  -6.035
  147   2HB   HIS  17          3HB       HIS  17  -0.751  12.913  -6.262
  148    HD1  HIS  17           HD1      HIS  17   0.680  12.708  -8.604
  149    HD2  HIS  17           HD2      HIS  17  -2.682  10.205  -8.166
  150    HE1  HIS  17           HE1      HIS  17   0.173  11.739 -10.911
  151    H    SER  18           H        SER  18   0.904  13.109  -4.601
  152    HA   SER  18           HA       SER  18   0.956  12.246  -1.832
  153   1HB   SER  18          2HB       SER  18   2.578  13.852  -2.988
  154   2HB   SER  18          3HB       SER  18   1.292  15.068  -2.911
  155    HG   SER  18           HG       SER  18   2.830  13.922  -0.872
  156    H    LYS  19           H        LYS  19  -1.296  11.606  -1.845
  157    HA   LYS  19           HA       LYS  19  -2.920  13.491  -0.444
  158   1HB   LYS  19          2HB       LYS  19  -3.266  13.897  -3.146
  159   2HB   LYS  19          3HB       LYS  19  -4.394  12.578  -2.900
  160   1HG   LYS  19          2HG       LYS  19  -5.727  14.459  -2.508
  161   2HG   LYS  19          3HG       LYS  19  -5.278  13.979  -0.870
  162   1HD   LYS  19          2HD       LYS  19  -5.073  16.381  -1.101
  163   2HD   LYS  19          3HD       LYS  19  -3.437  15.717  -0.925
  164   1HE   LYS  19          2HE       LYS  19  -2.877  16.098  -3.151
  165   2HE   LYS  19          3HE       LYS  19  -4.560  16.007  -3.702
  166   1HZ   LYS  19          1HZ       LYS  19  -3.729  18.249  -3.800
  167   2HZ   LYS  19          2HZ       LYS  19  -4.964  18.150  -2.720
  168   3HZ   LYS  19          3HZ       LYS  19  -3.408  18.256  -2.185
  169    H    SER  20           H        SER  20  -2.779  10.428  -2.329
  170    HA   SER  20           HA       SER  20  -3.914   8.938  -0.079
  171   1HB   SER  20          2HB       SER  20  -5.192   8.827  -2.837
  172   2HB   SER  20          3HB       SER  20  -5.747   8.029  -1.358
  173    HG   SER  20           HG       SER  20  -5.905  10.324  -0.564
  174    H    THR  21           H        THR  21  -1.374   8.773  -0.662
  175    HA   THR  21           HA       THR  21  -0.521   7.179  -2.820
  176    HB   THR  21           HB       THR  21   0.562   7.517   0.008
  177    HG1  THR  21          1HG       THR  21   0.594   9.108  -2.305
  178   1HG2  THR  21          1HG       THR  21   1.823   6.560  -2.586
  179   2HG2  THR  21          2HG       THR  21   2.743   7.139  -1.162
  180   3HG2  THR  21          3HG       THR  21   1.718   5.705  -1.032
  181    H    TRP  22           H        TRP  22  -2.100   5.431  -3.069
  182    HA   TRP  22           HA       TRP  22  -2.210   3.504  -0.868
  183   1HB   TRP  22          2HB       TRP  22  -3.552   3.582  -3.599
  184   2HB   TRP  22          3HB       TRP  22  -3.827   2.354  -2.359
  185    HD1  TRP  22           HD1      TRP  22  -3.727   5.371  -0.440
  186    HE1  TRP  22           HE1      TRP  22  -6.035   6.270   0.085
  187    HE3  TRP  22           HE3      TRP  22  -6.360   2.729  -3.916
  188    HZ2  TRP  22           HZ2      TRP  22  -8.681   6.178  -1.175
  189    HZ3  TRP  22           HZ3      TRP  22  -8.777   3.201  -4.280
  190    HH2  TRP  22           HH2      TRP  22  -9.907   4.947  -2.979
  191    H    LEU  23           H        LEU  23  -1.908   1.171  -1.622
  192    HA   LEU  23           HA       LEU  23  -0.391   0.723  -4.022
  193   1HB   LEU  23          2HB       LEU  23   1.660  -0.100  -2.895
  194   2HB   LEU  23          3HB       LEU  23   1.413   1.620  -2.729
  195    HG   LEU  23           HG       LEU  23   0.483   1.275  -0.395
  196   1HD1  LEU  23          1HD       LEU  23   0.063  -1.107  -0.357
  197   2HD1  LEU  23          2HD       LEU  23   1.665  -1.415  -1.075
  198   3HD1  LEU  23          3HD       LEU  23   1.520  -0.855   0.614
  199   1HD2  LEU  23          1HD       LEU  23   3.323   0.748  -1.399
  200   2HD2  LEU  23          2HD       LEU  23   2.669   2.207  -0.631
  201   3HD2  LEU  23          3HD       LEU  23   3.012   0.753   0.328
  202    H    ILE  24           H        ILE  24   0.281  -1.736  -4.044
  203    HA   ILE  24           HA       ILE  24  -2.022  -3.147  -2.825
  204    HB   ILE  24           HB       ILE  24  -0.221  -3.722  -5.271
  205   1HG1  ILE  24          2HG       ILE  24  -3.161  -3.144  -5.390
  206   2HG1  ILE  24          3HG       ILE  24  -1.984  -1.848  -5.462
  207   1HG2  ILE  24          1HG       ILE  24  -1.851  -5.595  -5.733
  208   2HG2  ILE  24          2HG       ILE  24  -0.835  -5.840  -4.328
  209   3HG2  ILE  24          3HG       ILE  24  -2.522  -5.326  -4.105
  210   1HD1  ILE  24          1HD       ILE  24  -2.867  -2.932  -7.686
  211   2HD1  ILE  24          2HD       ILE  24  -1.169  -2.448  -7.529
  212   3HD1  ILE  24          3HD       ILE  24  -1.619  -4.152  -7.369
  213    H    LEU  25           H        LEU  25  -0.941  -3.754  -0.802
  214    HA   LEU  25           HA       LEU  25   1.454  -5.489  -1.205
  215   1HB   LEU  25          2HB       LEU  25   0.395  -4.059   1.246
  216   2HB   LEU  25          3HB       LEU  25   1.365  -5.513   1.419
  217    HG   LEU  25           HG       LEU  25   2.259  -3.141  -0.210
  218   1HD1  LEU  25          1HD       LEU  25   3.147  -3.780   2.601
  219   2HD1  LEU  25          2HD       LEU  25   3.484  -2.325   1.633
  220   3HD1  LEU  25          3HD       LEU  25   1.841  -2.608   2.242
  221   1HD2  LEU  25          1HD       LEU  25   4.483  -4.123   0.152
  222   2HD2  LEU  25          2HD       LEU  25   3.690  -5.527   0.952
  223   3HD2  LEU  25          3HD       LEU  25   3.371  -5.133  -0.748
  224    H    HIS  26           H        HIS  26   1.065  -7.571  -1.231
  225    HA   HIS  26           HA       HIS  26  -0.076  -9.531  -1.234
  226   1HB   HIS  26          2HB       HIS  26  -1.013  -8.639   1.504
  227   2HB   HIS  26          3HB       HIS  26  -0.707 -10.281   0.946
  228    HD1  HIS  26           HD1      HIS  26   2.109 -10.747   0.477
  229    HD2  HIS  26           HD2      HIS  26   0.873  -7.420   2.748
  230    HE1  HIS  26           HE1      HIS  26   4.133  -9.991   1.832
  231    H    HIS  27           H        HIS  27  -1.530  -8.437  -2.929
  232    HA   HIS  27           HA       HIS  27  -3.543  -7.856  -3.790
  233   1HB   HIS  27          2HB       HIS  27  -5.154  -9.776  -3.620
  234   2HB   HIS  27          3HB       HIS  27  -3.508 -10.213  -4.089
  235    HD1  HIS  27           HD1      HIS  27  -5.628 -10.151  -0.888
  236    HD2  HIS  27           HD2      HIS  27  -2.366 -12.105  -2.670
  237    HE1  HIS  27           HE1      HIS  27  -4.932 -12.078   0.715
  238    H    LYS  28           H        LYS  28  -3.307  -6.256  -1.628
  239    HA   LYS  28           HA       LYS  28  -6.091  -5.862  -0.751
  240   1HB   LYS  28          2HB       LYS  28  -3.604  -6.205   0.924
  241   2HB   LYS  28          3HB       LYS  28  -4.835  -5.078   1.475
  242   1HG   LYS  28          2HG       LYS  28  -6.374  -6.707   1.890
  243   2HG   LYS  28          3HG       LYS  28  -5.726  -7.855   0.701
  244   1HD   LYS  28          2HD       LYS  28  -4.128  -8.674   2.105
  245   2HD   LYS  28          3HD       LYS  28  -3.926  -7.131   2.956
  246   1HE   LYS  28          2HE       LYS  28  -4.972  -8.496   4.569
  247   2HE   LYS  28          3HE       LYS  28  -6.246  -7.439   3.933
  248   1HZ   LYS  28          1HZ       LYS  28  -6.975  -9.198   2.526
  249   2HZ   LYS  28          2HZ       LYS  28  -5.809 -10.230   3.085
  250   3HZ   LYS  28          3HZ       LYS  28  -7.030  -9.672   4.065
  251    H    VAL  29           H        VAL  29  -6.208  -3.391   0.151
  252    HA   VAL  29           HA       VAL  29  -4.330  -1.804  -1.492
  253    HB   VAL  29           HB       VAL  29  -7.267  -1.718  -0.930
  254   1HG1  VAL  29          1HG       VAL  29  -7.274   0.460  -2.209
  255   2HG1  VAL  29          2HG       VAL  29  -6.655   0.438  -0.557
  256   3HG1  VAL  29          3HG       VAL  29  -5.506   0.505  -1.904
  257   1HG2  VAL  29          1HG       VAL  29  -6.877  -3.016  -2.779
  258   2HG2  VAL  29          2HG       VAL  29  -7.576  -1.468  -3.275
  259   3HG2  VAL  29          3HG       VAL  29  -5.818  -1.757  -3.503
  260    H    TYR  30           H        TYR  30  -2.924  -0.964   0.002
  261    HA   TYR  30           HA       TYR  30  -4.019  -0.075   2.600
  262   1HB   TYR  30          2HB       TYR  30  -1.270  -0.797   1.542
  263   2HB   TYR  30          3HB       TYR  30  -1.574  -0.073   3.089
  264    HD1  TYR  30           HD1      TYR  30  -1.509  -3.155   1.235
  265    HD2  TYR  30           HD2      TYR  30  -3.102  -1.347   4.778
  266    HE1  TYR  30           HE1      TYR  30  -1.616  -5.389   2.312
  267    HE2  TYR  30           HE2      TYR  30  -3.444  -3.617   5.762
  268    HH   TYR  30           HH       TYR  30  -2.077  -6.539   4.316
  269    H    ASP  31           H        ASP  31  -3.605   2.096   3.218
  270    HA   ASP  31           HA       ASP  31  -2.793   3.984   1.088
  271   1HB   ASP  31          2HB       ASP  31  -5.205   4.096   1.600
  272   2HB   ASP  31          3HB       ASP  31  -4.847   4.370   3.307
  273    H    LEU  32           H        LEU  32  -0.872   4.727   1.595
  274    HA   LEU  32           HA       LEU  32  -0.097   4.873   4.463
  275   1HB   LEU  32          2HB       LEU  32   1.854   4.754   2.169
  276   2HB   LEU  32          3HB       LEU  32   2.081   4.341   3.863
  277    HG   LEU  32           HG       LEU  32   0.680   2.736   1.699
  278   1HD1  LEU  32          1HD       LEU  32   3.135   2.612   1.965
  279   2HD1  LEU  32          2HD       LEU  32   2.917   2.116   3.660
  280   3HD1  LEU  32          3HD       LEU  32   2.326   1.074   2.345
  281   1HD2  LEU  32          1HD       LEU  32  -0.811   2.134   3.365
  282   2HD2  LEU  32          2HD       LEU  32   0.489   1.032   3.770
  283   3HD2  LEU  32          3HD       LEU  32   0.298   2.556   4.670
  284    H    THR  33           H        THR  33  -1.341   6.947   2.320
  285    HA   THR  33           HA       THR  33   0.513   8.994   1.857
  286    HB   THR  33           HB       THR  33  -2.339   8.729   1.820
  287    HG1  THR  33          1HG       THR  33  -0.530  10.725   0.891
  288   1HG2  THR  33          1HG       THR  33  -1.376  11.338   2.989
  289   2HG2  THR  33          2HG       THR  33  -2.966  11.079   2.237
  290   3HG2  THR  33          3HG       THR  33  -2.576  10.213   3.714
  291    H    LYS  34           H        LYS  34  -1.423   8.547   4.865
  292    HA   LYS  34           HA       LYS  34  -0.160  10.901   6.008
  293   1HB   LYS  34          2HB       LYS  34  -1.994  10.878   7.284
  294   2HB   LYS  34          3HB       LYS  34  -2.533   9.483   6.395
  295   1HG   LYS  34          2HG       LYS  34  -2.770   8.733   8.522
  296   2HG   LYS  34          3HG       LYS  34  -1.189   8.078   8.137
  297   1HD   LYS  34          2HD       LYS  34  -0.782  10.747   9.179
  298   2HD   LYS  34          3HD       LYS  34  -1.997  10.006  10.209
  299   1HE   LYS  34          2HE       LYS  34   0.189   8.124   9.696
  300   2HE   LYS  34          3HE       LYS  34   0.849   9.663  10.196
  301   1HZ   LYS  34          1HZ       LYS  34  -0.537   9.579  12.157
  302   2HZ   LYS  34          2HZ       LYS  34  -1.094   8.067  11.722
  303   3HZ   LYS  34          3HZ       LYS  34   0.511   8.338  12.036
  304    H    PHE  35           H        PHE  35   0.962   7.792   5.557
  305    HA   PHE  35           HA       PHE  35   2.572   7.656   8.026
  306   1HB   PHE  35          2HB       PHE  35   1.079   5.792   7.376
  307   2HB   PHE  35          3HB       PHE  35   1.919   5.630   5.859
  308    HD1  PHE  35          1HD       PHE  35   3.084   5.916   9.461
  309    HD2  PHE  35          2HD       PHE  35   3.220   3.713   5.755
  310    HE1  PHE  35          1HE       PHE  35   4.755   4.374  10.432
  311    HE2  PHE  35          2HE       PHE  35   4.850   2.160   6.737
  312    HZ   PHE  35           HZ       PHE  35   5.685   2.502   9.054
  313    H    LEU  36           H        LEU  36   2.677   8.498   4.722
  314    HA   LEU  36           HA       LEU  36   5.260   7.819   3.890
  315   1HB   LEU  36          2HB       LEU  36   3.536  10.312   3.461
  316   2HB   LEU  36          3HB       LEU  36   5.140  10.198   2.763
  317    HG   LEU  36           HG       LEU  36   2.765   8.413   2.151
  318   1HD1  LEU  36          1HD       LEU  36   2.720  10.663   1.133
  319   2HD1  LEU  36          2HD       LEU  36   4.357  10.403   0.485
  320   3HD1  LEU  36          3HD       LEU  36   3.006   9.413  -0.096
  321   1HD2  LEU  36          1HD       LEU  36   5.635   8.275   1.151
  322   2HD2  LEU  36          2HD       LEU  36   4.736   7.013   2.038
  323   3HD2  LEU  36          3HD       LEU  36   4.269   7.442   0.396
  324    H    GLU  37           H        GLU  37   4.585  10.945   5.527
  325    HA   GLU  37           HA       GLU  37   7.430  11.092   6.164
  326   1HB   GLU  37          2HB       GLU  37   5.124  12.946   6.862
  327   2HB   GLU  37          3HB       GLU  37   6.849  13.262   7.162
  328   1HG   GLU  37          2HG       GLU  37   7.213  12.806   4.647
  329   2HG   GLU  37          3HG       GLU  37   5.460  12.939   4.473
  330    H    GLU  38           H        GLU  38   5.748   8.857   7.344
  331    HA   GLU  38           HA       GLU  38   6.691   9.201  10.121
  332   1HB   GLU  38          2HB       GLU  38   3.903   8.850   9.221
  333   2HB   GLU  38          3HB       GLU  38   4.423   7.591  10.340
  334   1HG   GLU  38          2HG       GLU  38   5.286   9.510  11.842
  335   2HG   GLU  38          3HG       GLU  38   4.320  10.578  10.809
  336    H    HIS  39           HN       HIS  39   7.008   7.329   7.287
  337    HA   HIS  39           HA       HIS  39   6.937   4.780   8.614
  338   1HB   HIS  39          2HB       HIS  39   6.173   4.849   6.354
  339   2HB   HIS  39          3HB       HIS  39   7.605   5.703   5.820
  340    HD1  HIS  39           HND      HIS  39   9.007   4.268   4.403
  341    HD2  HIS  39           HD       HIS  39   7.060   2.061   7.373
  342    HE1  HIS  39           HE       HIS  39   9.658   1.884   4.021
  343    HA   PRO  40           HA       PRO  40  11.234   5.370   9.778
  344   1HB   PRO  40          2HB       PRO  40  11.667   3.047  11.158
  345   2HB   PRO  40          3HB       PRO  40  10.635   4.369  11.795
  346   1HG   PRO  40          2HG       PRO  40   9.766   1.887  10.308
  347   2HG   PRO  40          3HG       PRO  40   9.104   2.523  11.848
  348   1HD   PRO  40          2HD       PRO  40   7.946   2.996   9.427
  349   2HD   PRO  40          3HD       PRO  40   7.948   4.246  10.712
  350    H    GLY  41           H        GLY  41  11.968   5.402   7.651
  351   1HA   GLY  41          2HA       GLY  41  13.935   3.679   6.893
  352   2HA   GLY  41          3HA       GLY  41  12.486   2.957   6.157
  353    H    GLY  42           H        GLY  42  11.100   4.486   4.816
  354   1HA   GLY  42          2HA       GLY  42  12.336   6.917   3.874
  355   2HA   GLY  42          3HA       GLY  42  12.460   5.624   2.669
  356    H    GLU  43           H        GLU  43  10.676   8.236   3.102
  357    HA   GLU  43           HA       GLU  43   8.051   7.085   2.691
  358   1HB   GLU  43          2HB       GLU  43   7.305   9.238   2.597
  359   2HB   GLU  43          3HB       GLU  43   8.733   9.395   3.604
  360   1HG   GLU  43          2HG       GLU  43   8.997  11.220   2.264
  361   2HG   GLU  43          3HG       GLU  43   9.951  10.054   1.364
  362    H    GLU  44           H        GLU  44  10.753   7.975   0.642
  363    HA   GLU  44           HA       GLU  44   9.012   8.272  -1.691
  364   1HB   GLU  44          2HB       GLU  44  11.121   9.461  -1.691
  365   2HB   GLU  44          3HB       GLU  44  12.030   7.939  -1.815
  366   1HG   GLU  44          2HG       GLU  44  11.203   7.467  -3.990
  367   2HG   GLU  44          3HG       GLU  44   9.788   8.500  -3.788
  368    H    VAL  45           H        VAL  45  11.062   5.584  -0.481
  369    HA   VAL  45           HA       VAL  45  10.500   3.825  -2.642
  370    HB   VAL  45           HB       VAL  45  10.604   2.029  -0.921
  371   1HG1  VAL  45          1HG       VAL  45  12.813   4.100  -0.806
  372   2HG1  VAL  45          2HG       VAL  45  12.950   2.409  -0.266
  373   3HG1  VAL  45          3HG       VAL  45  12.639   2.772  -1.975
  374   1HG2  VAL  45          1HG       VAL  45  10.608   2.330   1.326
  375   2HG2  VAL  45          2HG       VAL  45  11.446   3.892   1.236
  376   3HG2  VAL  45          3HG       VAL  45   9.711   3.795   0.929
  377    H    LEU  46           H        LEU  46   8.308   5.284  -0.431
  378    HA   LEU  46           HA       LEU  46   6.319   2.991  -0.755
  379   1HB   LEU  46          2HB       LEU  46   5.815   5.714   0.457
  380   2HB   LEU  46          3HB       LEU  46   4.747   4.305   0.485
  381    HG   LEU  46           HG       LEU  46   7.284   4.852   2.004
  382   1HD1  LEU  46          1HD       LEU  46   4.577   4.845   2.710
  383   2HD1  LEU  46          2HD       LEU  46   5.153   3.274   3.295
  384   3HD1  LEU  46          3HD       LEU  46   5.949   4.765   3.823
  385   1HD2  LEU  46          1HD       LEU  46   7.792   2.686   1.028
  386   2HD2  LEU  46          2HD       LEU  46   7.395   2.489   2.723
  387   3HD2  LEU  46          3HD       LEU  46   6.190   2.058   1.488
  388    H    ARG  47           H        ARG  47   7.049   6.096  -2.310
  389    HA   ARG  47           HA       ARG  47   4.531   5.974  -3.830
  390   1HB   ARG  47          2HB       ARG  47   6.817   7.918  -3.663
  391   2HB   ARG  47          3HB       ARG  47   5.839   7.869  -5.139
  392   1HG   ARG  47          2HG       ARG  47   3.761   8.153  -3.807
  393   2HG   ARG  47          3HG       ARG  47   4.731   8.232  -2.322
  394   1HD   ARG  47          2HD       ARG  47   4.198  10.491  -3.038
  395   2HD   ARG  47          3HD       ARG  47   5.936  10.189  -3.237
  396    HE   ARG  47           HE       ARG  47   4.173   9.705  -5.560
  397   1HH1  ARG  47          2HH       ARG  47   6.488  11.880  -3.989
  398   2HH1  ARG  47          1HH       ARG  47   6.873  12.778  -5.406
  399   1HH2  ARG  47          2HH       ARG  47   4.728  10.851  -7.502
  400   2HH2  ARG  47          1HH       ARG  47   5.814  12.197  -7.453
  401    H    GLU  48           H        GLU  48   7.878   4.931  -4.210
  402    HA   GLU  48           HA       GLU  48   7.853   4.695  -7.064
  403   1HB   GLU  48          2HB       GLU  48   9.514   3.846  -4.778
  404   2HB   GLU  48          3HB       GLU  48   9.523   2.650  -6.061
  405   1HG   GLU  48          2HG       GLU  48   9.896   5.553  -6.817
  406   2HG   GLU  48          3HG       GLU  48  11.222   4.721  -6.009
  407    H    GLN  49           H        GLN  49   6.396   2.741  -4.561
  408    HA   GLN  49           HA       GLN  49   5.603   0.698  -6.595
  409   1HB   GLN  49          2HB       GLN  49   5.742   0.634  -3.566
  410   2HB   GLN  49          3HB       GLN  49   5.270  -0.735  -4.602
  411   1HG   GLN  49          2HG       GLN  49   8.016   0.608  -4.665
  412   2HG   GLN  49          3HG       GLN  49   7.601  -0.803  -3.714
  413   1HE2  GLN  49          1HE       GLN  49   9.459  -1.775  -5.030
  414   2HE2  GLN  49          2HE       GLN  49   9.011  -2.435  -6.600
  415    H    ALA  50           H        ALA  50   4.426   3.467  -5.396
  416    HA   ALA  50           HA       ALA  50   1.898   2.628  -4.334
  417   1HB   ALA  50          1HB       ALA  50   1.224   4.962  -4.553
  418   2HB   ALA  50          2HB       ALA  50   2.760   4.764  -3.731
  419   3HB   ALA  50          3HB       ALA  50   2.745   5.319  -5.427
  420    H    GLY  51           H        GLY  51  -0.168   2.774  -5.238
  421   1HA   GLY  51          2HA       GLY  51  -1.622   1.760  -6.786
  422   2HA   GLY  51          3HA       GLY  51  -0.842   2.795  -7.973
  423    H    GLY  52           H        GLY  52   1.254   0.391  -6.267
  424   1HA   GLY  52          2HA       GLY  52   1.114  -1.412  -8.599
  425   2HA   GLY  52          3HA       GLY  52   2.633  -0.615  -8.121
  426    H    ASP  53           H        ASP  53   2.813  -3.232  -8.066
  427    HA   ASP  53           HA       ASP  53   1.799  -4.361  -5.570
  428   1HB   ASP  53          2HB       ASP  53   2.591  -5.402  -8.105
  429   2HB   ASP  53          3HB       ASP  53   3.763  -6.034  -6.950
  430    H    ALA  54           H        ALA  54   2.763  -3.344  -3.876
  431    HA   ALA  54           HA       ALA  54   5.674  -2.888  -3.956
  432   1HB   ALA  54          1HB       ALA  54   3.816  -1.394  -2.848
  433   2HB   ALA  54          2HB       ALA  54   4.009  -2.472  -1.465
  434   3HB   ALA  54          3HB       ALA  54   5.390  -1.548  -2.057
  435    H    THR  55           H        THR  55   3.723  -5.588  -3.399
  436    HA   THR  55           HA       THR  55   4.500  -6.753  -1.097
  437    HB   THR  55           HB       THR  55   3.914  -8.032  -3.808
  438    HG1  THR  55          1HG       THR  55   2.066  -7.143  -3.550
  439   1HG2  THR  55          1HG       THR  55   3.409  -8.926  -0.959
  440   2HG2  THR  55          2HG       THR  55   2.803  -9.753  -2.422
  441   3HG2  THR  55          3HG       THR  55   4.551  -9.687  -2.099
  442    H    GLU  56           H        GLU  56   6.372  -6.953  -4.208
  443    HA   GLU  56           HA       GLU  56   8.198  -8.903  -3.137
  444   1HB   GLU  56          2HB       GLU  56   8.485  -6.798  -5.319
  445   2HB   GLU  56          3HB       GLU  56   9.788  -7.914  -4.871
  446   1HG   GLU  56          2HG       GLU  56   8.270  -9.846  -5.301
  447   2HG   GLU  56          3HG       GLU  56   7.024  -8.722  -5.861
  448    H    ASN  57           H        ASN  57   8.005  -5.333  -2.856
  449    HA   ASN  57           HA       ASN  57  10.649  -5.155  -1.650
  450   1HB   ASN  57          2HB       ASN  57   8.434  -3.292  -2.288
  451   2HB   ASN  57          3HB       ASN  57   9.111  -3.000  -0.693
  452   1HD2  ASN  57          1HD       ASN  57  11.755  -3.279  -0.761
  453   2HD2  ASN  57          2HD       ASN  57  12.441  -2.320  -2.061
  454    H    PHE  58           H        PHE  58   7.292  -5.160  -0.446
  455    HA   PHE  58           HA       PHE  58   8.118  -5.068   2.357
  456   1HB   PHE  58          2HB       PHE  58   5.819  -4.851   1.609
  457   2HB   PHE  58          3HB       PHE  58   5.707  -6.607   1.389
  458    HD1  PHE  58          1HD       PHE  58   6.000  -8.078   3.509
  459    HD2  PHE  58          2HD       PHE  58   5.469  -3.799   3.692
  460    HE1  PHE  58          1HE       PHE  58   5.357  -8.256   5.874
  461    HE2  PHE  58          2HE       PHE  58   4.765  -3.984   6.054
  462    HZ   PHE  58           HZ       PHE  58   4.701  -6.202   7.165
  463    H    GLU  59           H        GLU  59   7.845  -8.054   0.333
  464    HA   GLU  59           HA       GLU  59   8.403  -9.883   2.483
  465   1HB   GLU  59          2HB       GLU  59   8.323  -9.932  -0.539
  466   2HB   GLU  59          3HB       GLU  59   9.055 -11.281   0.307
  467   1HG   GLU  59          2HG       GLU  59   6.349 -10.353   1.251
  468   2HG   GLU  59          3HG       GLU  59   6.443 -11.232  -0.277
  469    H    ASP  60           H        ASP  60  10.441  -8.309  -0.050
  470    HA   ASP  60           HA       ASP  60  12.792  -9.784   0.529
  471   1HB   ASP  60          2HB       ASP  60  12.371  -8.494  -1.535
  472   2HB   ASP  60          3HB       ASP  60  12.473  -6.982  -0.620
  473    H    VAL  61           H        VAL  61  11.475  -6.793   1.953
  474    HA   VAL  61           HA       VAL  61  13.816  -6.342   3.634
  475    HB   VAL  61           HB       VAL  61  10.931  -5.387   3.821
  476   1HG1  VAL  61          1HG       VAL  61  11.797  -3.661   5.413
  477   2HG1  VAL  61          2HG       VAL  61  11.899  -5.290   6.083
  478   3HG1  VAL  61          3HG       VAL  61  13.360  -4.509   5.446
  479   1HG2  VAL  61          1HG       VAL  61  13.513  -4.055   2.894
  480   2HG2  VAL  61          2HG       VAL  61  12.133  -4.501   1.877
  481   3HG2  VAL  61          3HG       VAL  61  11.953  -3.219   3.085
  482    H    GLY  62           H        GLY  62  10.774  -8.255   3.955
  483   1HA   GLY  62          2HA       GLY  62  10.340  -9.942   5.502
  484   2HA   GLY  62          3HA       GLY  62  12.024  -9.838   6.060
  485    H    HIS  63           HN       HIS  63   9.424  -7.446   5.894
  486    HA   HIS  63           HA       HIS  63  10.038  -5.900   8.018
  487   1HB   HIS  63          2HB       HIS  63   7.575  -6.583   6.461
  488   2HB   HIS  63          3HB       HIS  63   7.303  -5.601   7.868
  489    HD1  HIS  63           HND      HIS  63   8.858  -5.398   4.434
  490    HD2  HIS  63           HD       HIS  63   7.985  -3.065   7.814
  491    HE1  HIS  63           HE       HIS  63   9.034  -3.000   3.686
  492    H    SER  64           H        SER  64   8.866  -5.418  10.099
  493    HA   SER  64           HA       SER  64   8.756  -7.787  11.753
  494   1HB   SER  64          2HB       SER  64   8.481  -6.026  13.531
  495   2HB   SER  64          3HB       SER  64   9.889  -5.769  12.489
  496    HG   SER  64           HG       SER  64   8.835  -3.835  12.625
  497    H    THR  65           H        THR  65   6.938  -8.032  13.423
  498    HA   THR  65           HA       THR  65   4.368  -8.098  12.275
  499    HB   THR  65           HB       THR  65   5.254  -7.985  15.207
  500    HG1  THR  65          1HG       THR  65   5.444 -10.263  14.916
  501   1HG2  THR  65          1HG       THR  65   3.339  -9.493  15.589
  502   2HG2  THR  65          2HG       THR  65   2.811  -7.938  14.924
  503   3HG2  THR  65          3HG       THR  65   2.899  -9.367  13.865
  504    H    ASP  66           H        ASP  66   6.053  -5.575  14.247
  505    HA   ASP  66           HA       ASP  66   3.767  -3.968  14.802
  506   1HB   ASP  66          2HB       ASP  66   6.727  -3.653  14.813
  507   2HB   ASP  66          3HB       ASP  66   5.859  -2.166  14.442
  508    H    ALA  67           H        ALA  67   5.844  -4.312  11.939
  509    HA   ALA  67           HA       ALA  67   4.680  -2.056  10.529
  510   1HB   ALA  67          1HB       ALA  67   6.923  -3.010   9.960
  511   2HB   ALA  67          2HB       ALA  67   6.142  -4.519   9.478
  512   3HB   ALA  67          3HB       ALA  67   5.790  -3.039   8.581
  513    H    ARG  68           H        ARG  68   4.287  -5.638  10.311
  514    HA   ARG  68           HA       ARG  68   2.296  -5.714   8.518
  515   1HB   ARG  68          2HB       ARG  68   2.490  -7.372  11.082
  516   2HB   ARG  68          3HB       ARG  68   1.397  -7.771   9.775
  517   1HG   ARG  68          2HG       ARG  68   4.385  -7.482   9.298
  518   2HG   ARG  68          3HG       ARG  68   3.677  -8.988   9.879
  519   1HD   ARG  68          2HD       ARG  68   2.794  -7.563   7.339
  520   2HD   ARG  68          3HD       ARG  68   4.010  -8.861   7.418
  521    HE   ARG  68           HE       ARG  68   1.633  -9.699   8.716
  522   1HH1  ARG  68          2HH       ARG  68   2.893  -9.079   5.451
  523   2HH1  ARG  68          1HH       ARG  68   2.033 -10.348   4.694
  524   1HH2  ARG  68          2HH       ARG  68   0.437 -11.412   7.723
  525   2HH2  ARG  68          1HH       ARG  68   0.580 -11.715   6.029
  526    H    GLU  69           H        GLU  69   2.014  -4.680  11.983
  527    HA   GLU  69           HA       GLU  69  -0.919  -4.780  12.093
  528   1HB   GLU  69          2HB       GLU  69   1.312  -3.908  13.958
  529   2HB   GLU  69          3HB       GLU  69  -0.255  -3.130  14.148
  530   1HG   GLU  69          2HG       GLU  69  -1.022  -5.750  13.933
  531   2HG   GLU  69          3HG       GLU  69   0.518  -5.919  14.777
  532    H    LEU  70           H        LEU  70   1.524  -2.055  11.835
  533    HA   LEU  70           HA       LEU  70  -0.436  -0.096  11.407
  534   1HB   LEU  70          2HB       LEU  70   2.469  -0.511  10.664
  535   2HB   LEU  70          3HB       LEU  70   1.549   0.644   9.763
  536    HG   LEU  70           HG       LEU  70   2.544   1.996  11.278
  537   1HD1  LEU  70          1HD       LEU  70   0.854   2.907  12.685
  538   2HD1  LEU  70          2HD       LEU  70   0.030   2.273  11.248
  539   3HD1  LEU  70          3HD       LEU  70   0.003   1.353  12.787
  540   1HD2  LEU  70          1HD       LEU  70   2.485   1.397  13.770
  541   2HD2  LEU  70          2HD       LEU  70   2.007  -0.234  13.227
  542   3HD2  LEU  70          3HD       LEU  70   3.557   0.454  12.700
  543    H    SER  71           H        SER  71   0.743  -2.734   9.173
  544    HA   SER  71           HA       SER  71  -0.542  -1.785   6.937
  545   1HB   SER  71          2HB       SER  71  -0.860  -4.671   7.630
  546   2HB   SER  71          3HB       SER  71  -0.581  -3.894   6.070
  547    HG   SER  71           HG       SER  71   1.408  -4.414   6.458
  548    H    LYS  72           H        LYS  72  -1.997  -3.493   9.690
  549    HA   LYS  72           HA       LYS  72  -4.603  -3.623   8.508
  550   1HB   LYS  72          2HB       LYS  72  -3.577  -5.050  10.394
  551   2HB   LYS  72          3HB       LYS  72  -3.955  -3.717  11.485
  552   1HG   LYS  72          2HG       LYS  72  -6.254  -3.974  11.282
  553   2HG   LYS  72          3HG       LYS  72  -6.165  -4.682   9.669
  554   1HD   LYS  72          2HD       LYS  72  -5.123  -6.189  12.090
  555   2HD   LYS  72          3HD       LYS  72  -6.832  -6.214  11.605
  556   1HE   LYS  72          2HE       LYS  72  -5.896  -6.763   9.213
  557   2HE   LYS  72          3HE       LYS  72  -4.423  -7.238  10.070
  558   1HZ   LYS  72          1HZ       LYS  72  -5.765  -8.795  11.343
  559   2HZ   LYS  72          2HZ       LYS  72  -7.133  -8.313  10.563
  560   3HZ   LYS  72          3HZ       LYS  72  -5.946  -9.086   9.731
  561    H    THR  73           H        THR  73  -2.971  -0.950  10.108
  562    HA   THR  73           HA       THR  73  -5.581   0.421  10.437
  563    HB   THR  73           HB       THR  73  -3.407   0.312  12.061
  564    HG1  THR  73          1HG       THR  73  -5.512   1.029  12.536
  565   1HG2  THR  73          1HG       THR  73  -2.271   2.387  12.181
  566   2HG2  THR  73          2HG       THR  73  -2.079   1.810  10.506
  567   3HG2  THR  73          3HG       THR  73  -3.239   3.104  10.890
  568    H    PHE  74           H        PHE  74  -3.659  -0.158   7.882
  569    HA   PHE  74           HA       PHE  74  -4.161   2.511   6.630
  570   1HB   PHE  74          2HB       PHE  74  -2.065   0.420   6.058
  571   2HB   PHE  74          3HB       PHE  74  -2.324   1.890   5.122
  572    HD1  PHE  74          1HD       PHE  74   0.185   0.871   6.504
  573    HD2  PHE  74          2HD       PHE  74  -2.840   3.749   7.641
  574    HE1  PHE  74          1HE       PHE  74   1.812   2.055   7.964
  575    HE2  PHE  74          2HE       PHE  74  -1.250   4.820   9.161
  576    HZ   PHE  74           HZ       PHE  74   1.066   3.905   9.369
  577    H    ILE  75           H        ILE  75  -5.212  -0.854   6.560
  578    HA   ILE  75           HA       ILE  75  -5.726  -0.891   3.761
  579    HB   ILE  75           HB       ILE  75  -6.040  -2.660   5.921
  580   1HG1  ILE  75          2HG       ILE  75  -6.921  -3.024   3.047
  581   2HG1  ILE  75          3HG       ILE  75  -5.242  -2.987   3.527
  582   1HG2  ILE  75          1HG       ILE  75  -8.718  -2.348   4.487
  583   2HG2  ILE  75          2HG       ILE  75  -8.285  -3.609   5.648
  584   3HG2  ILE  75          3HG       ILE  75  -8.422  -1.935   6.199
  585   1HD1  ILE  75          1HD       ILE  75  -5.365  -5.200   3.864
  586   2HD1  ILE  75          2HD       ILE  75  -6.342  -4.867   5.296
  587   3HD1  ILE  75          3HD       ILE  75  -7.138  -5.196   3.735
  588    H    ILE  76           H        ILE  76  -7.205  -0.043   2.550
  589    HA   ILE  76           HA       ILE  76  -9.617   1.221   3.789
  590    HB   ILE  76           HB       ILE  76  -9.508   2.959   2.038
  591   1HG1  ILE  76          2HG       ILE  76  -7.010   3.141   0.991
  592   2HG1  ILE  76          3HG       ILE  76  -7.048   1.429   1.191
  593   1HG2  ILE  76          1HG       ILE  76  -6.978   2.810   3.709
  594   2HG2  ILE  76          2HG       ILE  76  -7.685   4.263   2.977
  595   3HG2  ILE  76          3HG       ILE  76  -8.575   3.388   4.242
  596   1HD1  ILE  76          1HD       ILE  76  -9.107   3.193  -0.207
  597   2HD1  ILE  76          2HD       ILE  76  -7.812   2.339  -1.036
  598   3HD1  ILE  76          3HD       ILE  76  -9.089   1.402  -0.237
  599    H    GLY  77           H        GLY  77  -8.525  -1.324   1.817
  600   1HA   GLY  77          2HA       GLY  77 -11.090  -1.968   0.818
  601   2HA   GLY  77          3HA       GLY  77 -10.169  -1.119  -0.431
  602    H    GLU  78           H        GLU  78 -10.689  -3.488  -1.245
  603    HA   GLU  78           HA       GLU  78  -8.091  -4.817  -1.094
  604   1HB   GLU  78          2HB       GLU  78 -10.603  -6.046  -0.170
  605   2HB   GLU  78          3HB       GLU  78  -9.894  -6.948  -1.528
  606   1HG   GLU  78          2HG       GLU  78  -7.755  -7.028  -0.450
  607   2HG   GLU  78          3HG       GLU  78  -8.303  -5.973   0.862
  608    H    LEU  79           H        LEU  79  -7.737  -6.167  -3.089
  609    HA   LEU  79           HA       LEU  79  -8.408  -4.609  -5.419
  610   1HB   LEU  79          2HB       LEU  79  -6.866  -7.146  -4.791
  611   2HB   LEU  79          3HB       LEU  79  -7.420  -6.892  -6.446
  612    HG   LEU  79           HG       LEU  79  -6.304  -4.759  -6.584
  613   1HD1  LEU  79          1HD       LEU  79  -6.102  -3.671  -4.668
  614   2HD1  LEU  79          2HD       LEU  79  -5.855  -5.140  -3.667
  615   3HD1  LEU  79          3HD       LEU  79  -4.531  -4.456  -4.577
  616   1HD2  LEU  79          1HD       LEU  79  -5.088  -6.880  -7.150
  617   2HD2  LEU  79          2HD       LEU  79  -4.026  -5.553  -6.679
  618   3HD2  LEU  79          3HD       LEU  79  -4.387  -6.857  -5.521
  619    H    HIS  80           H        HIS  80 -10.310  -4.739  -6.467
  620    HA   HIS  80           HA       HIS  80 -12.348  -6.610  -6.009
  621   1HB   HIS  80          2HB       HIS  80 -11.687  -4.651  -8.144
  622   2HB   HIS  80          3HB       HIS  80 -12.714  -5.971  -8.657
  623    HD1  HIS  80           HD1      HIS  80 -14.949  -6.342  -6.722
  624    HD2  HIS  80           HD2      HIS  80 -13.098  -2.608  -7.316
  625    HE1  HIS  80           HE1      HIS  80 -16.654  -4.572  -6.102
  626    HA   PRO  81           HA       PRO  81 -11.083 -10.290  -7.785
  627   1HB   PRO  81          2HB       PRO  81 -13.413 -11.563  -8.478
  628   2HB   PRO  81          3HB       PRO  81 -13.042 -11.105  -6.787
  629   1HG   PRO  81          2HG       PRO  81 -14.726  -9.572  -8.794
  630   2HG   PRO  81          3HG       PRO  81 -15.133  -9.990  -7.099
  631   1HD   PRO  81          2HD       PRO  81 -14.078  -7.583  -7.854
  632   2HD   PRO  81          3HD       PRO  81 -13.717  -8.320  -6.252
  633    H    ASP  82           H        ASP  82  -9.948  -9.195  -9.442
  634    HA   ASP  82           HA       ASP  82 -10.729 -10.086 -12.164
  635   1HB   ASP  82          2HB       ASP  82 -11.519  -7.706 -11.807
  636   2HB   ASP  82          3HB       ASP  82  -9.864  -7.231 -11.451
  637    H    ASP  83           H        ASP  83  -8.327  -8.134 -10.350
  638    HA   ASP  83           HA       ASP  83  -6.191  -9.062 -11.974
  639   1HB   ASP  83          2HB       ASP  83  -6.556  -6.898 -10.585
  640   2HB   ASP  83          3HB       ASP  83  -5.826  -7.751  -9.259
  641    H    ARG  84           H        ARG  84  -7.725 -10.550  -9.442
  642    HA   ARG  84           HA       ARG  84  -5.779 -11.676  -7.769
  643   1HB   ARG  84          2HB       ARG  84  -8.204 -11.523  -7.338
  644   2HB   ARG  84          3HB       ARG  84  -8.540 -12.711  -8.588
  645   1HG   ARG  84          2HG       ARG  84  -6.777 -13.401  -6.205
  646   2HG   ARG  84          3HG       ARG  84  -8.535 -13.393  -6.082
  647   1HD   ARG  84          2HD       ARG  84  -8.561 -15.000  -8.106
  648   2HD   ARG  84          3HD       ARG  84  -6.836 -15.204  -7.827
  649    HE   ARG  84           HE       ARG  84  -7.210 -16.425  -5.963
  650   1HH1  ARG  84          2HH       ARG  84 -10.247 -14.909  -6.926
  651   2HH1  ARG  84          1HH       ARG  84 -11.250 -15.849  -5.878
  652   1HH2  ARG  84          2HH       ARG  84  -8.528 -17.710  -4.536
  653   2HH2  ARG  84          1HH       ARG  84 -10.236 -17.476  -4.481
  654    H    SER  85           H        SER  85  -6.874 -12.712 -10.972
  655    HA   SER  85           HA       SER  85  -4.892 -14.937 -10.786
  656   1HB   SER  85          2HB       SER  85  -7.499 -15.466 -10.634
  657   2HB   SER  85          3HB       SER  85  -7.395 -15.328 -12.397
  658    HG   SER  85           HG       SER  85  -5.780 -16.989 -10.725
  659    H    LYS  86           H        LYS  86  -4.861 -12.098 -11.865
  660    HA   LYS  86           HA       LYS  86  -4.256 -12.805 -14.715
  661   1HB   LYS  86          2HB       LYS  86  -6.132 -11.290 -14.447
  662   2HB   LYS  86          3HB       LYS  86  -5.151 -10.195 -13.456
  663   1HG   LYS  86          2HG       LYS  86  -3.747  -9.608 -15.298
  664   2HG   LYS  86          3HG       LYS  86  -4.412 -10.908 -16.316
  665   1HD   LYS  86          2HD       LYS  86  -6.562  -9.795 -16.462
  666   2HD   LYS  86          3HD       LYS  86  -6.122  -8.661 -15.174
  667   1HE   LYS  86          2HE       LYS  86  -5.903  -7.465 -17.240
  668   2HE   LYS  86          3HE       LYS  86  -4.281  -7.772 -16.597
  669   1HZ   LYS  86          1HZ       LYS  86  -4.258  -8.265 -18.886
  670   2HZ   LYS  86          2HZ       LYS  86  -4.221  -9.720 -18.116
  671   3HZ   LYS  86          3HZ       LYS  86  -5.619  -9.188 -18.807
  672    H    LEU  87           H        LEU  87  -2.965 -11.094 -11.817
  673    HA   LEU  87           HA       LEU  87  -0.606 -10.148 -13.077
  674   1HB   LEU  87          2HB       LEU  87  -1.119 -11.092 -10.227
  675   2HB   LEU  87          3HB       LEU  87   0.363 -10.271 -10.721
  676    HG   LEU  87           HG       LEU  87  -2.348  -9.014 -11.175
  677   1HD1  LEU  87          1HD       LEU  87  -0.617  -8.951  -8.671
  678   2HD1  LEU  87          2HD       LEU  87  -1.883  -7.762  -9.017
  679   3HD1  LEU  87          3HD       LEU  87  -2.322  -9.466  -8.823
  680   1HD2  LEU  87          1HD       LEU  87  -1.085  -6.932 -11.175
  681   2HD2  LEU  87          2HD       LEU  87   0.415  -7.789 -10.759
  682   3HD2  LEU  87          3HD       LEU  87  -0.353  -8.036 -12.350
  683    H    SER  88           H        SER  88  -1.426 -13.384 -11.948
  684    HA   SER  88           HA       SER  88   1.274 -14.304 -11.656
  685   1HB   SER  88          2HB       SER  88  -0.664 -15.218 -10.424
  686   2HB   SER  88          3HB       SER  88  -1.334 -15.854 -11.940
  687    HG   SER  88           HG       SER  88   0.437 -17.180 -12.136
  688    H    LYS  89           H        LYS  89   2.194 -13.631 -13.810
  689    HA   LYS  89           HA       LYS  89   1.798 -15.810 -15.795
  690   1HB   LYS  89          2HB       LYS  89   0.385 -13.799 -16.324
  691   2HB   LYS  89          3HB       LYS  89   1.851 -12.815 -16.369
  692   1HG   LYS  89          2HG       LYS  89   2.677 -14.114 -18.301
  693   2HG   LYS  89          3HG       LYS  89   1.245 -15.170 -18.221
  694   1HD   LYS  89          2HD       LYS  89  -0.238 -13.290 -18.695
  695   2HD   LYS  89          3HD       LYS  89   1.097 -12.145 -18.524
  696   1HE   LYS  89          2HE       LYS  89   0.774 -12.345 -20.844
  697   2HE   LYS  89          3HE       LYS  89   2.240 -13.264 -20.478
  698   1HZ   LYS  89          1HZ       LYS  89   0.923 -15.277 -20.574
  699   2HZ   LYS  89          2HZ       LYS  89  -0.451 -14.420 -20.880
  700   3HZ   LYS  89          3HZ       LYS  89   0.771 -14.439 -21.981
  701    HA   PRO  90           HA       PRO  90   6.256 -15.404 -15.536
  702   1HB   PRO  90          2HB       PRO  90   7.057 -17.044 -17.583
  703   2HB   PRO  90          3HB       PRO  90   6.325 -17.666 -16.073
  704   1HG   PRO  90          2HG       PRO  90   4.963 -17.142 -18.729
  705   2HG   PRO  90          3HG       PRO  90   4.851 -18.602 -17.693
  706   1HD   PRO  90          2HD       PRO  90   2.975 -16.604 -17.643
  707   2HD   PRO  90          3HD       PRO  90   3.412 -17.528 -16.172
  708    H    MET  91           H        MET  91   8.127 -14.941 -17.147
  709    HA   MET  91           HA       MET  91   7.292 -12.808 -19.070
  710   1HB   MET  91          2HB       MET  91   8.178 -11.876 -16.970
  711   2HB   MET  91          3HB       MET  91   9.599 -12.907 -17.088
  712   1HG   MET  91          2HG       MET  91   9.660 -11.542 -19.518
  713   2HG   MET  91          3HG       MET  91   8.996 -10.344 -18.410
  714   1HE   MET  91          1HE       MET  91  11.004  -8.797 -18.924
  715   2HE   MET  91          2HE       MET  91  10.616  -8.721 -17.185
  716   3HE   MET  91          3HE       MET  91  12.312  -8.784 -17.717
  717    H    GLU  92           H        GLU  92  10.190 -14.710 -18.117
  718    HA   GLU  92           HA       GLU  92  11.641 -15.981 -19.249
  719   1HB   GLU  92          2HB       GLU  92   9.472 -16.773 -20.462
  720   2HB   GLU  92          3HB       GLU  92  10.080 -15.830 -21.832
  721   1HG   GLU  92          2HG       GLU  92  12.086 -17.191 -21.946
  722   2HG   GLU  92          3HG       GLU  92  11.727 -17.945 -20.386
  723    H    THR  93           H        THR  93  13.235 -15.725 -21.327
  724    HA   THR  93           HA       THR  93  13.594 -12.853 -21.876
  725    HB   THR  93           HB       THR  93  15.986 -13.092 -21.145
  726    HG1  THR  93          1HG       THR  93  16.262 -15.280 -21.124
  727   1HG2  THR  93          1HG       THR  93  15.617 -12.803 -18.799
  728   2HG2  THR  93          2HG       THR  93  14.233 -12.086 -19.649
  729   3HG2  THR  93          3HG       THR  93  14.073 -13.671 -18.859
  730    H    LEU  94           H        LEU  94  15.911 -12.870 -23.131
  731    HA   LEU  94           HA       LEU  94  15.849 -14.560 -25.495
  732   1HB   LEU  94          2HB       LEU  94  18.126 -13.071 -24.118
  733   2HB   LEU  94          3HB       LEU  94  18.175 -13.728 -25.746
  734    HG   LEU  94           HG       LEU  94  16.156 -11.574 -24.977
  735   1HD1  LEU  94          1HD       LEU  94  19.003 -11.184 -25.970
  736   2HD1  LEU  94          2HD       LEU  94  17.768  -9.911 -25.808
  737   3HD1  LEU  94          3HD       LEU  94  18.373 -10.743 -24.368
  738   1HD2  LEU  94          1HD       LEU  94  17.446 -12.373 -27.625
  739   2HD2  LEU  94          2HD       LEU  94  15.788 -12.764 -27.115
  740   3HD2  LEU  94          3HD       LEU  94  16.255 -11.075 -27.393
  741    HHA  HEM  95          MHG       HEM  95  11.852  -0.614   8.723
  742    HHB  HEM  95          MHD       HEM  95   5.450  -0.272   9.295
  743    HHC  HEM  95          MHA       HEM  95   4.893  -0.964   2.918
  744    HHD  HEM  95          MHB       HEM  95  11.297  -0.368   2.304
  745   1HMA  HEM  95          1HM       HEM  95   6.962   0.712  11.507
  746   2HMA  HEM  95          2HM       HEM  95   6.416  -0.967  11.376
  747   3HMA  HEM  95          3HM       HEM  95   7.888  -0.599  12.256
  748   1HAA  HEM  95          1HP       HEM  95  10.037  -0.623  12.041
  749   2HAA  HEM  95          2HP       HEM  95  11.260  -0.116  10.895
  750   1HBA  HEM  95          3HP       HEM  95  11.240  -2.565  10.031
  751   2HBA  HEM  95          4HP       HEM  95  10.312  -2.938  11.482
  752   1HMB  HEM  95          1HM       HEM  95   2.178  -0.152   7.300
  753   2HMB  HEM  95          2HM       HEM  95   3.033  -1.180   8.448
  754   3HMB  HEM  95          3HM       HEM  95   3.351   0.558   8.449
  755    HAB  HEM  95          AHT       HEM  95   2.474  -0.127   4.169
  756   1HBB  HEM  95          CHV       HEM  95   2.449  -2.816   5.591
  757   2HBB  HEM  95          THV       HEM  95   1.044  -2.014   4.647
  758   1HMC  HEM  95          1HM       HEM  95   5.624  -1.966   0.958
  759   2HMC  HEM  95          2HM       HEM  95   5.831  -0.376   0.186
  760   3HMC  HEM  95          3HM       HEM  95   6.885  -1.752  -0.243
  761    HAC  HEM  95          AHT       HEM  95  10.430  -0.963   0.199
  762   1HBC  HEM  95          THV       HEM  95   9.467  -0.030  -1.807
  763   2HBC  HEM  95          CHV       HEM  95   7.925   0.440  -0.876
  764   1HMD  HEM  95          1HM       HEM  95  13.497  -1.029   2.965
  765   2HMD  HEM  95          2HM       HEM  95  13.672   0.709   3.305
  766   3HMD  HEM  95          3HM       HEM  95  14.608  -0.487   4.229
  767   1HAD  HEM  95          1HP       HEM  95  13.722   0.273   7.854
  768   2HAD  HEM  95          2HP       HEM  95  14.555   0.494   6.331
  769   1HBD  HEM  95          3HP       HEM  95  14.704  -2.079   6.189
  770   2HBD  HEM  95          4HP       HEM  95  14.169  -2.097   7.877
  Start of MODEL   37
    1   1H    ASP   1           H1       ASP   1 -18.421  -4.372   4.711
    2   2H    ASP   1           H2       ASP   1 -18.685  -5.851   4.059
    3   3H    ASP   1           H3       ASP   1 -19.945  -5.076   4.750
    4    HA   ASP   1           HA       ASP   1 -18.939  -5.258   6.916
    5   1HB   ASP   1          2HB       ASP   1 -18.639  -7.879   6.929
    6   2HB   ASP   1          3HB       ASP   1 -20.231  -7.161   6.672
    7    H    LYS   2           H        LYS   2 -17.052  -5.386   8.081
    8    HA   LYS   2           HA       LYS   2 -14.829  -5.312   8.495
    9   1HB   LYS   2          2HB       LYS   2 -14.943  -7.596   7.215
   10   2HB   LYS   2          3HB       LYS   2 -14.310  -6.683   5.857
   11   1HG   LYS   2          2HG       LYS   2 -12.428  -6.021   7.681
   12   2HG   LYS   2          3HG       LYS   2 -12.983  -7.532   8.403
   13   1HD   LYS   2          2HD       LYS   2 -12.710  -8.042   5.592
   14   2HD   LYS   2          3HD       LYS   2 -11.308  -7.068   6.059
   15   1HE   LYS   2          2HE       LYS   2 -10.997  -8.780   7.971
   16   2HE   LYS   2          3HE       LYS   2 -12.246  -9.740   7.154
   17   1HZ   LYS   2          1HZ       LYS   2  -9.573  -9.025   6.168
   18   2HZ   LYS   2          2HZ       LYS   2 -10.268 -10.518   6.267
   19   3HZ   LYS   2          3HZ       LYS   2 -10.750  -9.449   5.113
   20    H    ASP   3           H        ASP   3 -12.853  -4.067   7.734
   21    HA   ASP   3           HA       ASP   3 -13.548  -1.777   6.123
   22   1HB   ASP   3          2HB       ASP   3 -11.163  -2.703   7.709
   23   2HB   ASP   3          3HB       ASP   3 -10.901  -1.489   6.451
   24    H    VAL   4           H        VAL   4 -14.180  -3.068   4.158
   25    HA   VAL   4           HA       VAL   4 -11.787  -3.379   2.449
   26    HB   VAL   4           HB       VAL   4 -14.077  -5.378   2.389
   27   1HG1  VAL   4          1HG       VAL   4 -12.440  -6.657   1.050
   28   2HG1  VAL   4          2HG       VAL   4 -12.779  -5.085   0.310
   29   3HG1  VAL   4          3HG       VAL   4 -11.276  -5.327   1.228
   30   1HG2  VAL   4          1HG       VAL   4 -12.506  -6.978   3.432
   31   2HG2  VAL   4          2HG       VAL   4 -11.338  -5.662   3.707
   32   3HG2  VAL   4          3HG       VAL   4 -12.906  -5.654   4.539
   33    H    LYS   5           H        LYS   5 -12.330  -1.304   1.486
   34    HA   LYS   5           HA       LYS   5 -15.013  -1.081   0.367
   35   1HB   LYS   5          2HB       LYS   5 -13.515   0.734   1.455
   36   2HB   LYS   5          3HB       LYS   5 -12.711   0.818  -0.107
   37   1HG   LYS   5          2HG       LYS   5 -14.551   1.806  -1.141
   38   2HG   LYS   5          3HG       LYS   5 -15.726   0.947  -0.123
   39   1HD   LYS   5          2HD       LYS   5 -15.146   2.357   1.808
   40   2HD   LYS   5          3HD       LYS   5 -13.887   3.156   0.858
   41   1HE   LYS   5          2HE       LYS   5 -15.522   4.714   0.629
   42   2HE   LYS   5          3HE       LYS   5 -15.891   3.721  -0.787
   43   1HZ   LYS   5          1HZ       LYS   5 -17.810   4.325   0.654
   44   2HZ   LYS   5          2HZ       LYS   5 -17.659   2.704   0.412
   45   3HZ   LYS   5          3HZ       LYS   5 -17.195   3.375   1.843
   46    H    TYR   6           H        TYR   6 -13.195  -3.207  -0.658
   47    HA   TYR   6           HA       TYR   6 -12.085  -3.885  -2.575
   48   1HB   TYR   6          2HB       TYR   6 -15.054  -3.955  -2.598
   49   2HB   TYR   6          3HB       TYR   6 -14.266  -4.366  -4.108
   50    HD1  TYR   6           HD1      TYR   6 -15.672  -5.941  -1.431
   51    HD2  TYR   6           HD2      TYR   6 -11.975  -5.881  -3.653
   52    HE1  TYR   6           HE1      TYR   6 -15.251  -8.313  -0.815
   53    HE2  TYR   6           HE2      TYR   6 -11.533  -8.216  -3.016
   54    HH   TYR   6           HH       TYR   6 -12.230  -9.986  -1.593
   55    H    TYR   7           H        TYR   7 -10.692  -2.360  -3.715
   56    HA   TYR   7           HA       TYR   7 -12.092  -0.466  -5.455
   57   1HB   TYR   7          2HB       TYR   7  -9.493  -0.581  -3.907
   58   2HB   TYR   7          3HB       TYR   7  -9.574   0.365  -5.334
   59    HD1  TYR   7           HD1      TYR   7 -11.925   1.855  -5.482
   60    HD2  TYR   7           HD2      TYR   7  -9.988   0.525  -1.883
   61    HE1  TYR   7           HE1      TYR   7 -12.927   3.753  -4.260
   62    HE2  TYR   7           HE2      TYR   7 -11.025   2.390  -0.628
   63    HH   TYR   7           HH       TYR   7 -12.128   4.459  -0.868
   64    H    THR   8           H        THR   8 -11.031  -0.060  -7.569
   65    HA   THR   8           HA       THR   8 -10.369  -2.646  -8.815
   66    HB   THR   8           HB       THR   8 -10.845  -1.338 -10.899
   67    HG1  THR   8          1HG       THR   8 -11.698   0.793 -10.556
   68   1HG2  THR   8          1HG       THR   8 -13.236  -1.081 -10.598
   69   2HG2  THR   8          2HG       THR   8 -12.717  -2.476  -9.641
   70   3HG2  THR   8          3HG       THR   8 -13.064  -0.922  -8.840
   71    H    LEU   9           H        LEU   9  -8.642  -2.528 -10.550
   72    HA   LEU   9           HA       LEU   9  -6.247  -1.600  -9.326
   73   1HB   LEU   9          2HB       LEU   9  -6.463  -2.318 -12.262
   74   2HB   LEU   9          3HB       LEU   9  -5.029  -2.266 -11.247
   75    HG   LEU   9           HG       LEU   9  -5.509  -4.526 -11.372
   76   1HD1  LEU   9          1HD       LEU   9  -6.971  -3.763  -8.807
   77   2HD1  LEU   9          2HD       LEU   9  -6.117  -5.269  -9.175
   78   3HD1  LEU   9          3HD       LEU   9  -5.203  -3.757  -8.994
   79   1HD2  LEU   9          1HD       LEU   9  -8.274  -4.747 -10.523
   80   2HD2  LEU   9          2HD       LEU   9  -8.156  -3.687 -11.950
   81   3HD2  LEU   9          3HD       LEU   9  -7.467  -5.272 -12.018
   82    H    GLU  10           H        GLU  10  -8.103  -0.383 -12.100
   83    HA   GLU  10           HA       GLU  10  -6.449   1.817 -12.770
   84   1HB   GLU  10          2HB       GLU  10  -9.121   0.808 -13.436
   85   2HB   GLU  10          3HB       GLU  10  -9.067   2.574 -13.413
   86   1HG   GLU  10          2HG       GLU  10  -7.423   2.701 -15.081
   87   2HG   GLU  10          3HG       GLU  10  -6.842   1.058 -14.794
   88    H    GLU  11           H        GLU  11  -8.568   1.395  -9.988
   89    HA   GLU  11           HA       GLU  11  -8.590   4.268  -9.470
   90   1HB   GLU  11          2HB       GLU  11 -10.484   2.779  -8.835
   91   2HB   GLU  11          3HB       GLU  11  -9.408   1.861  -7.778
   92   1HG   GLU  11          2HG       GLU  11 -10.645   3.314  -6.414
   93   2HG   GLU  11          3HG       GLU  11  -9.010   3.922  -6.437
   94    H    ILE  12           H        ILE  12  -6.991   1.326  -8.076
   95    HA   ILE  12           HA       ILE  12  -5.616   2.723  -6.058
   96    HB   ILE  12           HB       ILE  12  -4.967   0.194  -7.580
   97   1HG1  ILE  12          2HG       ILE  12  -5.834   0.182  -4.728
   98   2HG1  ILE  12          3HG       ILE  12  -7.011   0.779  -5.850
   99   1HG2  ILE  12          1HG       ILE  12  -3.529   1.429  -5.239
  100   2HG2  ILE  12          2HG       ILE  12  -3.658  -0.340  -5.342
  101   3HG2  ILE  12          3HG       ILE  12  -2.892   0.534  -6.663
  102   1HD1  ILE  12          1HD       ILE  12  -7.471  -1.535  -5.777
  103   2HD1  ILE  12          2HD       ILE  12  -6.495  -1.385  -7.240
  104   3HD1  ILE  12          3HD       ILE  12  -5.734  -1.966  -5.767
  105    H    LYS  13           H        LYS  13  -4.670   2.086  -9.411
  106    HA   LYS  13           HA       LYS  13  -2.184   3.630  -9.195
  107   1HB   LYS  13          2HB       LYS  13  -1.833   3.069 -11.498
  108   2HB   LYS  13          3HB       LYS  13  -2.329   1.647 -10.587
  109   1HG   LYS  13          2HG       LYS  13  -4.766   2.509 -11.487
  110   2HG   LYS  13          3HG       LYS  13  -3.745   3.077 -12.800
  111   1HD   LYS  13          2HD       LYS  13  -3.721   0.227 -11.697
  112   2HD   LYS  13          3HD       LYS  13  -4.598   0.718 -13.157
  113   1HE   LYS  13          2HE       LYS  13  -2.539   1.346 -14.271
  114   2HE   LYS  13          3HE       LYS  13  -1.617   1.150 -12.770
  115   1HZ   LYS  13          1HZ       LYS  13  -1.222  -0.784 -13.913
  116   2HZ   LYS  13          2HZ       LYS  13  -2.413  -1.240 -12.879
  117   3HZ   LYS  13          3HZ       LYS  13  -2.766  -0.947 -14.464
  118    H    LYS  14           H        LYS  14  -4.776   4.927  -8.574
  119    HA   LYS  14           HA       LYS  14  -4.350   7.318 -10.269
  120   1HB   LYS  14          2HB       LYS  14  -6.788   5.796  -9.952
  121   2HB   LYS  14          3HB       LYS  14  -7.004   7.246  -8.991
  122   1HG   LYS  14          2HG       LYS  14  -7.753   7.948 -11.087
  123   2HG   LYS  14          3HG       LYS  14  -6.053   8.463 -11.148
  124   1HD   LYS  14          2HD       LYS  14  -5.711   5.952 -12.023
  125   2HD   LYS  14          3HD       LYS  14  -7.416   6.102 -12.461
  126   1HE   LYS  14          2HE       LYS  14  -5.248   8.099 -13.242
  127   2HE   LYS  14          3HE       LYS  14  -5.717   6.743 -14.278
  128   1HZ   LYS  14          1HZ       LYS  14  -7.637   7.738 -14.826
  129   2HZ   LYS  14          2HZ       LYS  14  -7.867   8.440 -13.355
  130   3HZ   LYS  14          3HZ       LYS  14  -6.830   9.122 -14.439
  131    H    HIS  15           H        HIS  15  -4.894   6.018  -6.962
  132    HA   HIS  15           HA       HIS  15  -4.757   8.750  -5.853
  133   1HB   HIS  15          2HB       HIS  15  -4.820   6.025  -4.579
  134   2HB   HIS  15          3HB       HIS  15  -5.003   7.544  -3.703
  135    HD1  HIS  15           HD1      HIS  15  -7.391   8.888  -4.085
  136    HD2  HIS  15           HD2      HIS  15  -7.003   5.042  -5.776
  137    HE1  HIS  15           HE1      HIS  15  -9.754   8.072  -4.631
  138    H    ASN  16           H        ASN  16  -2.584   8.138  -7.408
  139    HA   ASN  16           HA       ASN  16  -0.318   7.780  -5.523
  140   1HB   ASN  16          2HB       ASN  16   0.953   7.031  -7.491
  141   2HB   ASN  16          3HB       ASN  16  -0.431   5.976  -7.155
  142   1HD2  ASN  16          1HD       ASN  16   1.062   6.276  -9.702
  143   2HD2  ASN  16          2HD       ASN  16  -0.150   6.823 -10.854
  144    H    HIS  17           H        HIS  17  -0.609  10.028  -5.009
  145    HA   HIS  17           HA       HIS  17   0.521  11.940  -6.971
  146   1HB   HIS  17          2HB       HIS  17  -1.904  12.302  -5.181
  147   2HB   HIS  17          3HB       HIS  17  -1.039  13.657  -5.889
  148    HD1  HIS  17           HD1      HIS  17  -1.947  14.475  -8.138
  149    HD2  HIS  17           HD2      HIS  17  -2.817  10.443  -7.270
  150    HE1  HIS  17           HE1      HIS  17  -3.384  13.601 -10.058
  151    H    SER  18           H        SER  18   0.884  14.085  -5.352
  152    HA   SER  18           HA       SER  18   3.144  13.636  -3.873
  153   1HB   SER  18          2HB       SER  18   2.601  15.800  -2.734
  154   2HB   SER  18          3HB       SER  18   2.381  15.869  -4.494
  155    HG   SER  18           HG       SER  18   0.225  15.923  -4.237
  156    H    LYS  19           H        LYS  19  -0.181  13.532  -2.603
  157    HA   LYS  19           HA       LYS  19   0.928  12.644   0.009
  158   1HB   LYS  19          2HB       LYS  19  -0.584  14.745  -0.338
  159   2HB   LYS  19          3HB       LYS  19  -1.929  13.607  -0.365
  160   1HG   LYS  19          2HG       LYS  19  -1.628  13.006   1.874
  161   2HG   LYS  19          3HG       LYS  19   0.094  13.404   1.882
  162   1HD   LYS  19          2HD       LYS  19  -1.626  15.747   1.353
  163   2HD   LYS  19          3HD       LYS  19  -1.990  14.980   2.888
  164   1HE   LYS  19          2HE       LYS  19   0.933  15.263   2.375
  165   2HE   LYS  19          3HE       LYS  19   0.066  16.800   2.377
  166   1HZ   LYS  19          1HZ       LYS  19  -0.896  16.007   4.558
  167   2HZ   LYS  19          2HZ       LYS  19   0.294  14.857   4.558
  168   3HZ   LYS  19          3HZ       LYS  19   0.697  16.439   4.552
  169    H    SER  20           H        SER  20  -2.225  11.987  -1.635
  170    HA   SER  20           HA       SER  20  -2.753   9.493  -0.959
  171   1HB   SER  20          2HB       SER  20  -2.886  10.440  -3.829
  172   2HB   SER  20          3HB       SER  20  -3.980   9.328  -2.975
  173    HG   SER  20           HG       SER  20  -4.863  11.424  -3.047
  174    H    THR  21           H        THR  21  -1.530   7.739  -0.772
  175    HA   THR  21           HA       THR  21   0.175   6.833  -2.971
  176    HB   THR  21           HB       THR  21   1.049   7.772  -0.225
  177    HG1  THR  21          1HG       THR  21   1.836   8.046  -2.918
  178   1HG2  THR  21          1HG       THR  21   1.887   5.598  -0.054
  179   2HG2  THR  21          2HG       THR  21   2.180   5.463  -1.826
  180   3HG2  THR  21          3HG       THR  21   3.223   6.473  -0.807
  181    H    TRP  22           H        TRP  22  -1.444   5.381  -3.258
  182    HA   TRP  22           HA       TRP  22  -1.882   3.419  -1.067
  183   1HB   TRP  22          2HB       TRP  22  -3.097   3.822  -3.824
  184   2HB   TRP  22          3HB       TRP  22  -3.385   2.378  -2.857
  185    HD1  TRP  22           HD1      TRP  22  -3.256   5.211  -0.513
  186    HE1  TRP  22           HE1      TRP  22  -5.601   5.874   0.219
  187    HE3  TRP  22           HE3      TRP  22  -5.896   2.625  -4.001
  188    HZ2  TRP  22           HZ2      TRP  22  -8.312   5.518  -0.755
  189    HZ3  TRP  22           HZ3      TRP  22  -8.360   2.849  -4.154
  190    HH2  TRP  22           HH2      TRP  22  -9.572   4.324  -2.564
  191    H    LEU  23           H        LEU  23  -1.802   1.091  -2.060
  192    HA   LEU  23           HA       LEU  23  -0.131   0.499  -4.242
  193   1HB   LEU  23          2HB       LEU  23   1.809  -0.503  -2.928
  194   2HB   LEU  23          3HB       LEU  23   1.776   1.227  -3.150
  195    HG   LEU  23           HG       LEU  23   0.649   1.285  -0.740
  196   1HD1  LEU  23          1HD       LEU  23   2.240  -1.228  -0.459
  197   2HD1  LEU  23          2HD       LEU  23   1.177  -0.432   0.706
  198   3HD1  LEU  23          3HD       LEU  23   0.482  -1.274  -0.709
  199   1HD2  LEU  23          1HD       LEU  23   2.648   2.274  -0.485
  200   2HD2  LEU  23          2HD       LEU  23   3.283   0.692   0.007
  201   3HD2  LEU  23          3HD       LEU  23   3.446   1.220  -1.663
  202    H    ILE  24           H        ILE  24   0.375  -1.961  -4.166
  203    HA   ILE  24           HA       ILE  24  -2.053  -3.278  -3.029
  204    HB   ILE  24           HB       ILE  24  -0.172  -4.043  -5.361
  205   1HG1  ILE  24          2HG       ILE  24  -3.001  -2.967  -5.455
  206   2HG1  ILE  24          3HG       ILE  24  -1.567  -1.997  -5.780
  207   1HG2  ILE  24          1HG       ILE  24  -2.814  -5.267  -4.464
  208   2HG2  ILE  24          2HG       ILE  24  -1.871  -5.747  -5.899
  209   3HG2  ILE  24          3HG       ILE  24  -1.208  -6.008  -4.290
  210   1HD1  ILE  24          1HD       ILE  24  -2.619  -4.263  -7.474
  211   2HD1  ILE  24          2HD       ILE  24  -2.383  -2.565  -7.904
  212   3HD1  ILE  24          3HD       ILE  24  -0.973  -3.613  -7.644
  213    H    LEU  25           H        LEU  25  -1.394  -4.411  -1.165
  214    HA   LEU  25           HA       LEU  25   1.205  -5.862  -1.237
  215   1HB   LEU  25          2HB       LEU  25  -0.181  -4.250   0.925
  216   2HB   LEU  25          3HB       LEU  25   0.890  -5.581   1.382
  217    HG   LEU  25           HG       LEU  25   1.724  -3.333  -0.484
  218   1HD1  LEU  25          1HD       LEU  25   2.215  -3.688   2.488
  219   2HD1  LEU  25          2HD       LEU  25   3.012  -2.477   1.445
  220   3HD1  LEU  25          3HD       LEU  25   1.252  -2.431   1.650
  221   1HD2  LEU  25          1HD       LEU  25   3.134  -5.668   0.810
  222   2HD2  LEU  25          2HD       LEU  25   3.050  -5.058  -0.865
  223   3HD2  LEU  25          3HD       LEU  25   4.016  -4.187   0.315
  224    H    HIS  26           H        HIS  26   0.420  -7.757  -1.963
  225    HA   HIS  26           HA       HIS  26  -0.579  -9.808  -1.903
  226   1HB   HIS  26          2HB       HIS  26  -0.992  -9.161   1.046
  227   2HB   HIS  26          3HB       HIS  26  -1.506 -10.659   0.303
  228    HD1  HIS  26           HD1      HIS  26   0.300 -12.471  -0.189
  229    HD2  HIS  26           HD2      HIS  26   1.749  -8.750   1.161
  230    HE1  HIS  26           HE1      HIS  26   2.807 -12.776   0.297
  231    H    HIS  27           H        HIS  27  -2.160  -8.665  -3.407
  232    HA   HIS  27           HA       HIS  27  -4.252  -8.177  -4.103
  233   1HB   HIS  27          2HB       HIS  27  -5.959  -9.991  -3.469
  234   2HB   HIS  27          3HB       HIS  27  -4.503 -10.467  -4.327
  235    HD1  HIS  27           HD1      HIS  27  -6.321 -11.115  -1.077
  236    HD2  HIS  27           HD2      HIS  27  -2.607 -11.852  -2.913
  237    HE1  HIS  27           HE1      HIS  27  -5.191 -13.002   0.250
  238    H    LYS  28           H        LYS  28  -3.503  -6.690  -1.774
  239    HA   LYS  28           HA       LYS  28  -6.150  -6.011  -0.682
  240   1HB   LYS  28          2HB       LYS  28  -3.539  -6.437   0.761
  241   2HB   LYS  28          3HB       LYS  28  -4.860  -5.501   1.441
  242   1HG   LYS  28          2HG       LYS  28  -6.191  -7.346   1.794
  243   2HG   LYS  28          3HG       LYS  28  -5.462  -8.323   0.522
  244   1HD   LYS  28          2HD       LYS  28  -3.682  -8.978   1.861
  245   2HD   LYS  28          3HD       LYS  28  -3.747  -7.502   2.846
  246   1HE   LYS  28          2HE       LYS  28  -6.072  -8.363   3.627
  247   2HE   LYS  28          3HE       LYS  28  -5.575  -9.921   2.965
  248   1HZ   LYS  28          1HZ       LYS  28  -5.035  -9.711   5.312
  249   2HZ   LYS  28          2HZ       LYS  28  -3.651  -9.850   4.430
  250   3HZ   LYS  28          3HZ       LYS  28  -4.113  -8.384   5.026
  251    H    VAL  29           H        VAL  29  -6.220  -3.608  -0.148
  252    HA   VAL  29           HA       VAL  29  -4.335  -2.142  -1.854
  253    HB   VAL  29           HB       VAL  29  -7.113  -1.674  -0.801
  254   1HG1  VAL  29          1HG       VAL  29  -5.375  -0.127  -2.673
  255   2HG1  VAL  29          2HG       VAL  29  -7.131   0.191  -2.462
  256   3HG1  VAL  29          3HG       VAL  29  -5.988   0.354  -1.098
  257   1HG2  VAL  29          1HG       VAL  29  -8.150  -2.103  -2.789
  258   2HG2  VAL  29          2HG       VAL  29  -6.624  -2.135  -3.690
  259   3HG2  VAL  29          3HG       VAL  29  -7.040  -3.466  -2.588
  260    H    TYR  30           H        TYR  30  -2.977  -0.865  -0.588
  261    HA   TYR  30           HA       TYR  30  -3.668  -0.445   2.260
  262   1HB   TYR  30          2HB       TYR  30  -1.198  -1.117   0.672
  263   2HB   TYR  30          3HB       TYR  30  -1.059  -0.186   2.129
  264    HD1  TYR  30           HD1      TYR  30   0.198  -1.618   3.451
  265    HD2  TYR  30           HD2      TYR  30  -3.382  -3.126   1.601
  266    HE1  TYR  30           HE1      TYR  30   0.500  -3.807   4.598
  267    HE2  TYR  30           HE2      TYR  30  -3.189  -5.199   2.916
  268    HH   TYR  30           HH       TYR  30  -1.705  -6.522   4.119
  269    H    ASP  31           H        ASP  31  -2.933   1.601   3.078
  270    HA   ASP  31           HA       ASP  31  -2.531   3.775   1.115
  271   1HB   ASP  31          2HB       ASP  31  -4.902   3.576   1.783
  272   2HB   ASP  31          3HB       ASP  31  -4.442   3.697   3.493
  273    H    LEU  32           H        LEU  32  -0.617   4.609   1.616
  274    HA   LEU  32           HA       LEU  32   0.178   4.737   4.482
  275   1HB   LEU  32          2HB       LEU  32   2.285   4.908   2.392
  276   2HB   LEU  32          3HB       LEU  32   2.334   4.237   4.015
  277    HG   LEU  32           HG       LEU  32   1.257   2.932   1.497
  278   1HD1  LEU  32          1HD       LEU  32   3.100   1.306   2.082
  279   2HD1  LEU  32          2HD       LEU  32   3.666   2.943   1.681
  280   3HD1  LEU  32          3HD       LEU  32   3.601   2.403   3.375
  281   1HD2  LEU  32          1HD       LEU  32   0.054   1.512   2.715
  282   2HD2  LEU  32          2HD       LEU  32   1.475   1.090   3.682
  283   3HD2  LEU  32          3HD       LEU  32   0.405   2.418   4.184
  284    H    THR  33           H        THR  33  -1.319   6.653   2.428
  285    HA   THR  33           HA       THR  33   0.236   8.832   1.795
  286    HB   THR  33           HB       THR  33  -2.651   8.597   2.818
  287    HG1  THR  33          1HG       THR  33  -2.843   7.484   1.192
  288   1HG2  THR  33          1HG       THR  33  -2.937  10.586   1.193
  289   2HG2  THR  33          2HG       THR  33  -2.411  10.820   2.877
  290   3HG2  THR  33          3HG       THR  33  -1.205  10.833   1.594
  291    H    LYS  34           H        LYS  34  -1.677   8.294   4.807
  292    HA   LYS  34           HA       LYS  34  -0.616  10.707   6.068
  293   1HB   LYS  34          2HB       LYS  34  -2.898   9.753   6.463
  294   2HB   LYS  34          3HB       LYS  34  -2.165   8.371   7.268
  295   1HG   LYS  34          2HG       LYS  34  -1.253  10.976   8.381
  296   2HG   LYS  34          3HG       LYS  34  -3.001  10.803   8.400
  297   1HD   LYS  34          2HD       LYS  34  -2.485   8.416   9.463
  298   2HD   LYS  34          3HD       LYS  34  -0.928   9.181   9.863
  299   1HE   LYS  34          2HE       LYS  34  -2.396  11.150  10.749
  300   2HE   LYS  34          3HE       LYS  34  -3.744  10.004  10.660
  301   1HZ   LYS  34          1HZ       LYS  34  -2.742  10.005  12.836
  302   2HZ   LYS  34          2HZ       LYS  34  -2.457   8.547  12.127
  303   3HZ   LYS  34          3HZ       LYS  34  -1.246   9.665  12.212
  304    H    PHE  35           H        PHE  35   0.834   7.789   5.389
  305    HA   PHE  35           HA       PHE  35   2.453   7.748   7.861
  306   1HB   PHE  35          2HB       PHE  35   1.053   5.767   7.193
  307   2HB   PHE  35          3HB       PHE  35   2.051   5.621   5.778
  308    HD1  PHE  35          1HD       PHE  35   2.867   6.104   9.495
  309    HD2  PHE  35          2HD       PHE  35   3.480   3.915   5.877
  310    HE1  PHE  35          1HE       PHE  35   4.611   4.752  10.605
  311    HE2  PHE  35          2HE       PHE  35   5.065   2.422   6.994
  312    HZ   PHE  35           HZ       PHE  35   5.807   2.921   9.303
  313    H    LEU  36           H        LEU  36   2.440   8.647   4.575
  314    HA   LEU  36           HA       LEU  36   5.161   8.221   3.786
  315   1HB   LEU  36          2HB       LEU  36   3.146  10.503   3.309
  316   2HB   LEU  36          3HB       LEU  36   4.777  10.571   2.645
  317    HG   LEU  36           HG       LEU  36   2.595   8.588   1.947
  318   1HD1  LEU  36          1HD       LEU  36   2.501  10.976   1.052
  319   2HD1  LEU  36          2HD       LEU  36   4.028  10.629   0.203
  320   3HD1  LEU  36          3HD       LEU  36   2.566   9.706  -0.166
  321   1HD2  LEU  36          1HD       LEU  36   4.401   8.120   0.067
  322   2HD2  LEU  36          2HD       LEU  36   5.538   8.607   1.333
  323   3HD2  LEU  36          3HD       LEU  36   4.412   7.258   1.621
  324    H    GLU  37           H        GLU  37   4.049  11.181   5.380
  325    HA   GLU  37           HA       GLU  37   6.854  11.612   6.059
  326   1HB   GLU  37          2HB       GLU  37   4.288  13.160   6.601
  327   2HB   GLU  37          3HB       GLU  37   5.896  13.716   7.114
  328   1HG   GLU  37          2HG       GLU  37   6.685  13.743   4.802
  329   2HG   GLU  37          3HG       GLU  37   5.158  13.072   4.220
  330    H    GLU  38           H        GLU  38   5.256   9.250   7.222
  331    HA   GLU  38           HA       GLU  38   6.007   9.685  10.046
  332   1HB   GLU  38          2HB       GLU  38   3.299   9.257   8.998
  333   2HB   GLU  38          3HB       GLU  38   3.766   7.999  10.134
  334   1HG   GLU  38          2HG       GLU  38   4.488  10.028  11.653
  335   2HG   GLU  38          3HG       GLU  38   3.416  10.955  10.599
  336    H    HIS  39           HN       HIS  39   6.662   7.861   7.296
  337    HA   HIS  39           HA       HIS  39   6.671   5.294   8.570
  338   1HB   HIS  39          2HB       HIS  39   6.061   5.356   6.268
  339   2HB   HIS  39          3HB       HIS  39   7.496   6.241   5.843
  340    HD1  HIS  39           HND      HIS  39   8.713   4.680   4.273
  341    HD2  HIS  39           HD       HIS  39   7.162   2.638   7.576
  342    HE1  HIS  39           HE       HIS  39   9.350   2.316   3.964
  343    HA   PRO  40           HA       PRO  40  10.828   6.146  10.083
  344   1HB   PRO  40          2HB       PRO  40  11.180   3.810  11.531
  345   2HB   PRO  40          3HB       PRO  40  10.259   5.232  12.091
  346   1HG   PRO  40          2HG       PRO  40   9.233   2.638  11.056
  347   2HG   PRO  40          3HG       PRO  40   8.492   3.750  12.233
  348   1HD   PRO  40          2HD       PRO  40   7.881   3.496   9.486
  349   2HD   PRO  40          3HD       PRO  40   7.354   4.824  10.570
  350    H    GLY  41           H        GLY  41  11.582   6.060   7.861
  351   1HA   GLY  41          2HA       GLY  41  13.704   4.373   7.389
  352   2HA   GLY  41          3HA       GLY  41  12.315   3.536   6.649
  353    H    GLY  42           H        GLY  42  10.826   5.128   5.304
  354   1HA   GLY  42          2HA       GLY  42  12.310   7.270   4.008
  355   2HA   GLY  42          3HA       GLY  42  12.012   5.846   2.990
  356    H    GLU  43           H        GLU  43  10.951   8.195   2.363
  357    HA   GLU  43           HA       GLU  43   8.008   7.539   2.460
  358   1HB   GLU  43          2HB       GLU  43   7.617   9.884   1.954
  359   2HB   GLU  43          3HB       GLU  43   8.409   9.602   3.514
  360   1HG   GLU  43          2HG       GLU  43  10.567  10.289   2.617
  361   2HG   GLU  43          3HG       GLU  43   9.900  10.416   0.985
  362    H    GLU  44           H        GLU  44  10.732   8.554   0.306
  363    HA   GLU  44           HA       GLU  44   8.971   8.683  -1.991
  364   1HB   GLU  44          2HB       GLU  44  11.084   9.848  -2.060
  365   2HB   GLU  44          3HB       GLU  44  11.989   8.314  -1.990
  366   1HG   GLU  44          2HG       GLU  44  11.107   7.600  -4.141
  367   2HG   GLU  44          3HG       GLU  44   9.894   8.887  -4.140
  368    H    VAL  45           H        VAL  45  11.023   6.036  -0.694
  369    HA   VAL  45           HA       VAL  45  10.514   4.117  -2.696
  370    HB   VAL  45           HB       VAL  45  10.298   2.520  -0.678
  371   1HG1  VAL  45          1HG       VAL  45  12.374   2.607  -1.725
  372   2HG1  VAL  45          2HG       VAL  45  12.668   4.291  -1.252
  373   3HG1  VAL  45          3HG       VAL  45  12.759   2.991  -0.035
  374   1HG2  VAL  45          1HG       VAL  45   9.570   4.560   0.854
  375   2HG2  VAL  45          2HG       VAL  45  10.550   3.238   1.490
  376   3HG2  VAL  45          3HG       VAL  45  11.320   4.770   1.025
  377    H    LEU  46           H        LEU  46   8.219   5.755  -0.745
  378    HA   LEU  46           HA       LEU  46   6.252   3.411  -0.943
  379   1HB   LEU  46          2HB       LEU  46   5.652   6.189   0.062
  380   2HB   LEU  46          3HB       LEU  46   4.699   4.709   0.284
  381    HG   LEU  46           HG       LEU  46   7.287   5.566   1.594
  382   1HD1  LEU  46          1HD       LEU  46   5.888   5.989   3.308
  383   2HD1  LEU  46          2HD       LEU  46   4.517   5.245   2.467
  384   3HD1  LEU  46          3HD       LEU  46   5.590   4.253   3.446
  385   1HD2  LEU  46          1HD       LEU  46   7.697   3.231   0.827
  386   2HD2  LEU  46          2HD       LEU  46   7.645   3.443   2.557
  387   3HD2  LEU  46          3HD       LEU  46   6.235   2.734   1.688
  388    H    ARG  47           H        ARG  47   7.065   6.399  -2.542
  389    HA   ARG  47           HA       ARG  47   4.678   6.420  -4.220
  390   1HB   ARG  47          2HB       ARG  47   5.911   8.473  -3.362
  391   2HB   ARG  47          3HB       ARG  47   7.225   8.030  -4.465
  392   1HG   ARG  47          2HG       ARG  47   5.396   8.057  -6.329
  393   2HG   ARG  47          3HG       ARG  47   4.364   8.840  -5.132
  394   1HD   ARG  47          2HD       ARG  47   5.353  10.819  -5.540
  395   2HD   ARG  47          3HD       ARG  47   6.935  10.174  -5.113
  396    HE   ARG  47           HE       ARG  47   5.795  10.551  -7.766
  397   1HH1  ARG  47          2HH       ARG  47   8.382   8.932  -5.933
  398   2HH1  ARG  47          1HH       ARG  47   9.378   8.638  -7.284
  399   1HH2  ARG  47          2HH       ARG  47   7.086  10.073  -9.621
  400   2HH2  ARG  47          1HH       ARG  47   8.575   9.214  -9.447
  401    H    GLU  48           H        GLU  48   8.031   5.184  -4.361
  402    HA   GLU  48           HA       GLU  48   8.150   4.932  -7.200
  403   1HB   GLU  48          2HB       GLU  48   9.663   3.905  -4.839
  404   2HB   GLU  48          3HB       GLU  48   9.687   2.851  -6.244
  405   1HG   GLU  48          2HG       GLU  48  10.276   5.004  -7.607
  406   2HG   GLU  48          3HG       GLU  48  10.688   5.700  -6.036
  407    H    GLN  49           H        GLN  49   6.364   3.136  -4.836
  408    HA   GLN  49           HA       GLN  49   5.565   1.163  -6.941
  409   1HB   GLN  49          2HB       GLN  49   5.794   0.943  -3.934
  410   2HB   GLN  49          3HB       GLN  49   5.151  -0.350  -4.978
  411   1HG   GLN  49          2HG       GLN  49   7.989   0.763  -5.244
  412   2HG   GLN  49          3HG       GLN  49   7.532  -0.605  -4.250
  413   1HE2  GLN  49          1HE       GLN  49   9.256  -1.646  -5.860
  414   2HE2  GLN  49          2HE       GLN  49   8.478  -2.369  -7.251
  415    H    ALA  50           H        ALA  50   4.583   3.898  -5.730
  416    HA   ALA  50           HA       ALA  50   2.118   3.507  -4.474
  417   1HB   ALA  50          1HB       ALA  50   2.784   5.717  -4.469
  418   2HB   ALA  50          2HB       ALA  50   3.145   5.735  -6.230
  419   3HB   ALA  50          3HB       ALA  50   1.471   5.735  -5.635
  420    H    GLY  51           H        GLY  51   0.115   3.003  -5.108
  421   1HA   GLY  51          2HA       GLY  51  -1.555   2.035  -6.296
  422   2HA   GLY  51          3HA       GLY  51  -1.086   3.115  -7.605
  423    H    GLY  52           H        GLY  52   1.265   0.805  -6.328
  424   1HA   GLY  52          2HA       GLY  52   1.165  -0.880  -8.766
  425   2HA   GLY  52          3HA       GLY  52   2.638  -0.080  -8.168
  426    H    ASP  53           H        ASP  53   3.495  -2.397  -8.018
  427    HA   ASP  53           HA       ASP  53   2.205  -4.007  -5.886
  428   1HB   ASP  53          2HB       ASP  53   3.448  -4.629  -8.422
  429   2HB   ASP  53          3HB       ASP  53   4.318  -5.446  -7.122
  430    H    ALA  54           H        ALA  54   2.957  -3.016  -3.966
  431    HA   ALA  54           HA       ALA  54   5.917  -2.937  -3.635
  432   1HB   ALA  54          1HB       ALA  54   5.371  -1.853  -1.442
  433   2HB   ALA  54          2HB       ALA  54   4.800  -0.880  -2.755
  434   3HB   ALA  54          3HB       ALA  54   3.668  -1.846  -1.860
  435    H    THR  55           H        THR  55   3.586  -5.313  -3.432
  436    HA   THR  55           HA       THR  55   4.018  -6.732  -1.144
  437    HB   THR  55           HB       THR  55   3.977  -8.137  -3.834
  438    HG1  THR  55          1HG       THR  55   2.223  -7.012  -4.266
  439   1HG2  THR  55          1HG       THR  55   2.305  -8.580  -1.379
  440   2HG2  THR  55          2HG       THR  55   2.742  -9.763  -2.637
  441   3HG2  THR  55          3HG       THR  55   3.946  -9.236  -1.438
  442    H    GLU  56           H        GLU  56   6.334  -6.789  -3.921
  443    HA   GLU  56           HA       GLU  56   8.031  -8.544  -2.279
  444   1HB   GLU  56          2HB       GLU  56   9.554  -8.485  -4.243
  445   2HB   GLU  56          3HB       GLU  56   7.920  -8.914  -4.741
  446   1HG   GLU  56          2HG       GLU  56   7.505  -6.818  -5.737
  447   2HG   GLU  56          3HG       GLU  56   8.774  -5.994  -4.850
  448    H    ASN  57           H        ASN  57   7.358  -5.797  -1.342
  449    HA   ASN  57           HA       ASN  57  10.159  -4.852  -0.983
  450   1HB   ASN  57          2HB       ASN  57   7.890  -3.375  -2.056
  451   2HB   ASN  57          3HB       ASN  57   8.332  -2.707  -0.486
  452   1HD2  ASN  57          1HD       ASN  57   8.781  -2.086  -3.575
  453   2HD2  ASN  57          2HD       ASN  57  10.432  -1.443  -3.481
  454    H    PHE  58           H        PHE  58   6.872  -4.293   0.386
  455    HA   PHE  58           HA       PHE  58   7.917  -4.223   3.094
  456   1HB   PHE  58          2HB       PHE  58   5.730  -3.343   2.581
  457   2HB   PHE  58          3HB       PHE  58   5.159  -4.936   2.089
  458    HD1  PHE  58          1HD       PHE  58   6.238  -2.905   5.024
  459    HD2  PHE  58          2HD       PHE  58   4.393  -6.550   3.671
  460    HE1  PHE  58          1HE       PHE  58   5.409  -3.329   7.321
  461    HE2  PHE  58          2HE       PHE  58   3.599  -7.000   5.952
  462    HZ   PHE  58           HZ       PHE  58   4.127  -5.386   7.805
  463    H    GLU  59           H        GLU  59   6.720  -7.046   1.191
  464    HA   GLU  59           HA       GLU  59   7.161  -8.767   3.556
  465   1HB   GLU  59          2HB       GLU  59   5.505  -8.763   1.136
  466   2HB   GLU  59          3HB       GLU  59   6.311 -10.289   1.296
  467   1HG   GLU  59          2HG       GLU  59   5.079  -9.064   3.788
  468   2HG   GLU  59          3HG       GLU  59   3.960  -9.560   2.593
  469    H    ASP  60           H        ASP  60   8.785  -7.926   0.573
  470    HA   ASP  60           HA       ASP  60  10.410 -10.341   0.439
  471   1HB   ASP  60          2HB       ASP  60  10.106  -8.908  -1.513
  472   2HB   ASP  60          3HB       ASP  60  10.827  -7.535  -0.625
  473    H    VAL  61           H        VAL  61  11.030  -6.941   1.533
  474    HA   VAL  61           HA       VAL  61  13.607  -7.592   2.508
  475    HB   VAL  61           HB       VAL  61  12.700  -5.295   1.992
  476   1HG1  VAL  61          1HG       VAL  61  10.622  -5.646   3.536
  477   2HG1  VAL  61          2HG       VAL  61  11.705  -5.205   4.861
  478   3HG1  VAL  61          3HG       VAL  61  11.417  -4.062   3.528
  479   1HG2  VAL  61          1HG       VAL  61  14.154  -4.179   3.540
  480   2HG2  VAL  61          2HG       VAL  61  14.002  -5.486   4.738
  481   3HG2  VAL  61          3HG       VAL  61  14.866  -5.774   3.217
  482    H    GLY  62           H        GLY  62  10.376  -7.872   3.982
  483   1HA   GLY  62          2HA       GLY  62   9.850  -9.412   5.668
  484   2HA   GLY  62          3HA       GLY  62  11.582  -9.756   5.889
  485    H    HIS  63           HN       HIS  63   9.203  -7.140   6.263
  486    HA   HIS  63           HA       HIS  63  10.706  -5.377   7.704
  487   1HB   HIS  63          2HB       HIS  63   7.764  -5.884   7.318
  488   2HB   HIS  63          3HB       HIS  63   8.199  -4.829   8.647
  489    HD1  HIS  63           HND      HIS  63   9.292  -4.855   4.947
  490    HD2  HIS  63           HD       HIS  63   8.040  -2.417   8.126
  491    HE1  HIS  63           HE       HIS  63   9.318  -2.488   4.065
  492    H    SER  64           H        SER  64   8.021  -7.046   9.396
  493    HA   SER  64           HA       SER  64   9.210  -8.187  11.610
  494   1HB   SER  64          2HB       SER  64   9.131  -5.186  11.749
  495   2HB   SER  64          3HB       SER  64   8.542  -6.056  13.162
  496    HG   SER  64           HG       SER  64  11.106  -6.019  12.075
  497    H    THR  65           H        THR  65   7.558  -8.218  13.497
  498    HA   THR  65           HA       THR  65   5.004  -8.857  12.435
  499    HB   THR  65           HB       THR  65   6.129  -8.658  15.262
  500    HG1  THR  65          1HG       THR  65   6.394 -10.953  14.818
  501   1HG2  THR  65          1HG       THR  65   3.619  -8.836  15.158
  502   2HG2  THR  65          2HG       THR  65   3.817 -10.352  14.246
  503   3HG2  THR  65          3HG       THR  65   4.419 -10.216  15.921
  504    H    ASP  66           H        ASP  66   6.046  -6.354  14.871
  505    HA   ASP  66           HA       ASP  66   3.572  -5.094  15.166
  506   1HB   ASP  66          2HB       ASP  66   6.437  -4.080  15.353
  507   2HB   ASP  66          3HB       ASP  66   5.049  -3.059  15.741
  508    H    ALA  67           H        ALA  67   5.952  -4.880  12.612
  509    HA   ALA  67           HA       ALA  67   4.936  -2.486  11.382
  510   1HB   ALA  67          1HB       ALA  67   6.253  -4.589   9.716
  511   2HB   ALA  67          2HB       ALA  67   6.588  -2.834   9.844
  512   3HB   ALA  67          3HB       ALA  67   7.207  -3.926  11.067
  513    H    ARG  68           H        ARG  68   4.369  -6.018  10.835
  514    HA   ARG  68           HA       ARG  68   2.389  -5.777   8.885
  515   1HB   ARG  68          2HB       ARG  68   3.406  -7.822  10.693
  516   2HB   ARG  68          3HB       ARG  68   1.661  -7.967  10.589
  517   1HG   ARG  68          2HG       ARG  68   1.681  -8.639   8.425
  518   2HG   ARG  68          3HG       ARG  68   3.051  -7.612   7.977
  519   1HD   ARG  68          2HD       ARG  68   4.649  -9.094   8.661
  520   2HD   ARG  68          3HD       ARG  68   3.606  -9.865   9.875
  521    HE   ARG  68           HE       ARG  68   2.398 -10.511   7.508
  522   1HH1  ARG  68          2HH       ARG  68   5.706 -10.886   8.701
  523   2HH1  ARG  68          1HH       ARG  68   5.985 -12.376   7.859
  524   1HH2  ARG  68          2HH       ARG  68   2.826 -12.399   6.319
  525   2HH2  ARG  68          1HH       ARG  68   4.404 -12.919   6.182
  526    H    GLU  69           H        GLU  69   2.157  -5.158  12.433
  527    HA   GLU  69           HA       GLU  69  -0.759  -5.330  12.522
  528   1HB   GLU  69          2HB       GLU  69   1.345  -4.148  14.385
  529   2HB   GLU  69          3HB       GLU  69  -0.360  -3.806  14.612
  530   1HG   GLU  69          2HG       GLU  69  -0.298  -6.578  14.229
  531   2HG   GLU  69          3HG       GLU  69   1.133  -6.259  15.211
  532    H    LEU  70           H        LEU  70   1.535  -2.512  12.102
  533    HA   LEU  70           HA       LEU  70  -0.519  -0.585  11.925
  534   1HB   LEU  70          2HB       LEU  70   2.234  -0.916  10.731
  535   2HB   LEU  70          3HB       LEU  70   1.284   0.521  10.484
  536    HG   LEU  70           HG       LEU  70   1.521  -0.338  13.316
  537   1HD1  LEU  70          1HD       LEU  70   3.961   1.065  12.247
  538   2HD1  LEU  70          2HD       LEU  70   3.749   0.062  13.703
  539   3HD1  LEU  70          3HD       LEU  70   3.875  -0.706  12.126
  540   1HD2  LEU  70          1HD       LEU  70   1.965   2.280  11.844
  541   2HD2  LEU  70          2HD       LEU  70   0.435   1.735  12.568
  542   3HD2  LEU  70          3HD       LEU  70   1.837   2.087  13.612
  543    H    SER  71           H        SER  71   0.721  -3.026   9.549
  544    HA   SER  71           HA       SER  71  -0.444  -2.127   7.270
  545   1HB   SER  71          2HB       SER  71  -0.734  -5.007   8.042
  546   2HB   SER  71          3HB       SER  71  -0.497  -4.305   6.457
  547    HG   SER  71           HG       SER  71   1.594  -4.171   6.807
  548    H    LYS  72           H        LYS  72  -2.078  -3.422  10.080
  549    HA   LYS  72           HA       LYS  72  -4.584  -4.016   8.860
  550   1HB   LYS  72          2HB       LYS  72  -3.541  -4.745  11.168
  551   2HB   LYS  72          3HB       LYS  72  -4.172  -3.204  11.757
  552   1HG   LYS  72          2HG       LYS  72  -6.310  -4.354  10.275
  553   2HG   LYS  72          3HG       LYS  72  -5.577  -5.705  11.147
  554   1HD   LYS  72          2HD       LYS  72  -5.703  -4.300  13.276
  555   2HD   LYS  72          3HD       LYS  72  -6.526  -3.050  12.332
  556   1HE   LYS  72          2HE       LYS  72  -8.279  -4.190  13.368
  557   2HE   LYS  72          3HE       LYS  72  -8.266  -4.842  11.722
  558   1HZ   LYS  72          1HZ       LYS  72  -6.944  -6.130  14.032
  559   2HZ   LYS  72          2HZ       LYS  72  -8.454  -6.521  13.514
  560   3HZ   LYS  72          3HZ       LYS  72  -7.152  -6.781  12.535
  561    H    THR  73           H        THR  73  -3.305  -1.030  10.418
  562    HA   THR  73           HA       THR  73  -5.906   0.305  10.021
  563    HB   THR  73           HB       THR  73  -4.316   0.567  12.040
  564    HG1  THR  73          1HG       THR  73  -5.055   2.815  12.123
  565   1HG2  THR  73          1HG       THR  73  -3.194   2.775  10.293
  566   2HG2  THR  73          2HG       THR  73  -2.805   2.433  11.988
  567   3HG2  THR  73          3HG       THR  73  -2.306   1.292  10.734
  568    H    PHE  74           H        PHE  74  -3.445  -0.581   7.963
  569    HA   PHE  74           HA       PHE  74  -3.475   1.937   6.375
  570   1HB   PHE  74          2HB       PHE  74  -1.809  -0.596   6.287
  571   2HB   PHE  74          3HB       PHE  74  -1.743   0.669   5.073
  572    HD1  PHE  74          1HD       PHE  74  -2.128   2.059   8.432
  573    HD2  PHE  74          2HD       PHE  74   0.606   0.466   5.538
  574    HE1  PHE  74          1HE       PHE  74  -0.251   3.058   9.674
  575    HE2  PHE  74          2HE       PHE  74   2.479   1.631   6.660
  576    HZ   PHE  74           HZ       PHE  74   2.050   2.814   8.805
  577    H    ILE  75           H        ILE  75  -4.634  -1.480   6.288
  578    HA   ILE  75           HA       ILE  75  -5.240  -1.494   3.533
  579    HB   ILE  75           HB       ILE  75  -5.522  -3.195   5.761
  580   1HG1  ILE  75          2HG       ILE  75  -6.683  -3.836   3.071
  581   2HG1  ILE  75          3HG       ILE  75  -4.961  -3.569   3.243
  582   1HG2  ILE  75          1HG       ILE  75  -7.842  -2.370   6.141
  583   2HG2  ILE  75          2HG       ILE  75  -8.253  -2.820   4.458
  584   3HG2  ILE  75          3HG       ILE  75  -7.819  -4.058   5.643
  585   1HD1  ILE  75          1HD       ILE  75  -6.483  -5.608   4.923
  586   2HD1  ILE  75          2HD       ILE  75  -5.573  -5.982   3.470
  587   3HD1  ILE  75          3HD       ILE  75  -4.726  -5.336   4.881
  588    H    ILE  76           H        ILE  76  -6.733  -0.521   2.360
  589    HA   ILE  76           HA       ILE  76  -9.029   0.810   3.737
  590    HB   ILE  76           HB       ILE  76  -8.918   2.584   2.061
  591   1HG1  ILE  76          2HG       ILE  76  -6.614   2.765   0.806
  592   2HG1  ILE  76          3HG       ILE  76  -6.497   1.032   1.009
  593   1HG2  ILE  76          1HG       ILE  76  -6.210   2.263   3.340
  594   2HG2  ILE  76          2HG       ILE  76  -7.078   3.762   2.949
  595   3HG2  ILE  76          3HG       ILE  76  -7.667   2.701   4.253
  596   1HD1  ILE  76          1HD       ILE  76  -7.496   1.987  -1.131
  597   2HD1  ILE  76          2HD       ILE  76  -8.493   0.762  -0.330
  598   3HD1  ILE  76          3HD       ILE  76  -8.869   2.510  -0.163
  599    H    GLY  77           H        GLY  77  -8.170  -1.747   1.734
  600   1HA   GLY  77          2HA       GLY  77 -10.777  -2.363   0.921
  601   2HA   GLY  77          3HA       GLY  77  -9.994  -1.490  -0.409
  602    H    GLU  78           H        GLU  78 -10.432  -3.823  -1.331
  603    HA   GLU  78           HA       GLU  78  -7.856  -5.148  -1.204
  604   1HB   GLU  78          2HB       GLU  78 -10.508  -6.559  -0.762
  605   2HB   GLU  78          3HB       GLU  78  -9.087  -7.402  -1.412
  606   1HG   GLU  78          2HG       GLU  78  -7.758  -6.689   0.528
  607   2HG   GLU  78          3HG       GLU  78  -9.143  -5.905   1.254
  608    H    LEU  79           H        LEU  79  -7.517  -6.453  -3.245
  609    HA   LEU  79           HA       LEU  79  -8.393  -4.906  -5.520
  610   1HB   LEU  79          2HB       LEU  79  -6.733  -7.379  -4.984
  611   2HB   LEU  79          3HB       LEU  79  -7.448  -7.205  -6.591
  612    HG   LEU  79           HG       LEU  79  -6.467  -5.032  -6.884
  613   1HD1  LEU  79          1HD       LEU  79  -6.408  -4.163  -4.647
  614   2HD1  LEU  79          2HD       LEU  79  -5.197  -5.368  -4.145
  615   3HD1  LEU  79          3HD       LEU  79  -4.800  -4.112  -5.344
  616   1HD2  LEU  79          1HD       LEU  79  -4.245  -6.846  -5.895
  617   2HD2  LEU  79          2HD       LEU  79  -5.183  -7.221  -7.358
  618   3HD2  LEU  79          3HD       LEU  79  -4.233  -5.735  -7.278
  619    H    HIS  80           H        HIS  80 -10.323  -5.070  -6.538
  620    HA   HIS  80           HA       HIS  80 -12.395  -6.656  -5.755
  621   1HB   HIS  80          2HB       HIS  80 -11.740  -5.238  -8.261
  622   2HB   HIS  80          3HB       HIS  80 -12.854  -6.583  -8.470
  623    HD1  HIS  80           HD1      HIS  80 -15.164  -6.478  -6.880
  624    HD2  HIS  80           HD2      HIS  80 -12.847  -2.995  -7.355
  625    HE1  HIS  80           HE1      HIS  80 -16.659  -4.509  -6.260
  626    HA   PRO  81           HA       PRO  81 -11.277 -10.725  -6.859
  627   1HB   PRO  81          2HB       PRO  81 -13.645 -12.072  -6.386
  628   2HB   PRO  81          3HB       PRO  81 -12.605 -11.402  -5.098
  629   1HG   PRO  81          2HG       PRO  81 -15.151 -10.265  -6.235
  630   2HG   PRO  81          3HG       PRO  81 -14.538 -10.219  -4.552
  631   1HD   PRO  81          2HD       PRO  81 -14.329  -8.157  -6.451
  632   2HD   PRO  81          3HD       PRO  81 -13.360  -8.301  -4.958
  633    H    ASP  82           H        ASP  82 -10.903 -10.068  -9.003
  634    HA   ASP  82           HA       ASP  82 -12.259 -11.707 -10.970
  635   1HB   ASP  82          2HB       ASP  82 -13.781  -9.716 -10.925
  636   2HB   ASP  82          3HB       ASP  82 -12.409  -8.653 -11.224
  637    H    ASP  83           H        ASP  83 -10.297  -8.731 -10.548
  638    HA   ASP  83           HA       ASP  83  -8.446  -9.569 -12.622
  639   1HB   ASP  83          2HB       ASP  83  -8.426  -7.166 -10.767
  640   2HB   ASP  83          3HB       ASP  83  -7.387  -7.417 -12.188
  641    H    ARG  84           H        ARG  84  -8.551 -11.101  -9.968
  642    HA   ARG  84           HA       ARG  84  -5.866 -10.422  -8.854
  643   1HB   ARG  84          2HB       ARG  84  -7.818 -10.612  -7.324
  644   2HB   ARG  84          3HB       ARG  84  -7.986 -12.322  -7.735
  645   1HG   ARG  84          2HG       ARG  84  -5.336 -11.214  -6.748
  646   2HG   ARG  84          3HG       ARG  84  -6.610 -11.591  -5.591
  647   1HD   ARG  84          2HD       ARG  84  -6.363 -13.836  -5.777
  648   2HD   ARG  84          3HD       ARG  84  -6.071 -13.784  -7.512
  649    HE   ARG  84           HE       ARG  84  -3.899 -12.695  -5.919
  650   1HH1  ARG  84          2HH       ARG  84  -5.212 -15.631  -7.396
  651   2HH1  ARG  84          1HH       ARG  84  -3.701 -16.451  -7.494
  652   1HH2  ARG  84          2HH       ARG  84  -1.856 -13.781  -6.035
  653   2HH2  ARG  84          1HH       ARG  84  -1.753 -15.377  -6.678
  654    H    SER  85           H        SER  85  -7.670 -13.074 -10.432
  655    HA   SER  85           HA       SER  85  -5.186 -14.711 -10.315
  656   1HB   SER  85          2HB       SER  85  -7.497 -15.544  -9.485
  657   2HB   SER  85          3HB       SER  85  -7.884 -15.733 -11.211
  658    HG   SER  85           HG       SER  85  -6.043 -17.022 -11.407
  659    H    LYS  86           H        LYS  86  -5.369 -12.410 -12.088
  660    HA   LYS  86           HA       LYS  86  -5.126 -13.835 -14.669
  661   1HB   LYS  86          2HB       LYS  86  -7.489 -12.782 -14.165
  662   2HB   LYS  86          3HB       LYS  86  -6.736 -11.257 -14.599
  663   1HG   LYS  86          2HG       LYS  86  -6.358 -13.621 -16.454
  664   2HG   LYS  86          3HG       LYS  86  -7.966 -12.917 -16.331
  665   1HD   LYS  86          2HD       LYS  86  -6.929 -10.648 -16.865
  666   2HD   LYS  86          3HD       LYS  86  -5.430 -11.539 -17.256
  667   1HE   LYS  86          2HE       LYS  86  -6.833 -13.017 -18.770
  668   2HE   LYS  86          3HE       LYS  86  -8.210 -11.951 -18.472
  669   1HZ   LYS  86          1HZ       LYS  86  -5.748 -10.734 -19.438
  670   2HZ   LYS  86          2HZ       LYS  86  -6.640 -11.619 -20.507
  671   3HZ   LYS  86          3HZ       LYS  86  -7.310 -10.325 -19.742
  672    H    LEU  87           H        LEU  87  -5.055 -10.438 -13.456
  673    HA   LEU  87           HA       LEU  87  -3.566  -8.753 -13.806
  674   1HB   LEU  87          2HB       LEU  87  -1.707 -11.036 -13.060
  675   2HB   LEU  87          3HB       LEU  87  -1.257  -9.332 -13.034
  676    HG   LEU  87           HG       LEU  87  -3.513 -10.549 -11.377
  677   1HD1  LEU  87          1HD       LEU  87  -1.219 -11.291 -10.744
  678   2HD1  LEU  87          2HD       LEU  87  -0.746  -9.588 -10.544
  679   3HD1  LEU  87          3HD       LEU  87  -2.000 -10.300  -9.497
  680   1HD2  LEU  87          1HD       LEU  87  -3.139  -8.236 -10.194
  681   2HD2  LEU  87          2HD       LEU  87  -2.386  -7.749 -11.731
  682   3HD2  LEU  87          3HD       LEU  87  -4.080  -8.278 -11.691
  683    H    SER  88           H        SER  88  -4.088  -8.687 -16.217
  684    HA   SER  88           HA       SER  88  -1.534  -8.603 -17.583
  685   1HB   SER  88          2HB       SER  88  -2.277 -11.029 -17.720
  686   2HB   SER  88          3HB       SER  88  -3.663 -10.467 -18.689
  687    HG   SER  88           HG       SER  88  -1.819 -11.072 -19.977
  688    H    LYS  89           H        LYS  89  -1.641  -6.960 -19.097
  689    HA   LYS  89           HA       LYS  89  -4.060  -6.365 -20.567
  690   1HB   LYS  89          2HB       LYS  89  -4.460  -5.245 -18.315
  691   2HB   LYS  89          3HB       LYS  89  -3.023  -4.276 -18.601
  692   1HG   LYS  89          2HG       LYS  89  -4.704  -2.846 -19.324
  693   2HG   LYS  89          3HG       LYS  89  -4.238  -3.605 -20.852
  694   1HD   LYS  89          2HD       LYS  89  -6.117  -5.207 -20.626
  695   2HD   LYS  89          3HD       LYS  89  -6.591  -4.469 -19.091
  696   1HE   LYS  89          2HE       LYS  89  -6.281  -2.725 -21.542
  697   2HE   LYS  89          3HE       LYS  89  -7.710  -3.756 -21.417
  698   1HZ   LYS  89          1HZ       LYS  89  -7.332  -1.292 -20.227
  699   2HZ   LYS  89          2HZ       LYS  89  -8.612  -2.300 -20.047
  700   3HZ   LYS  89          3HZ       LYS  89  -7.361  -2.363 -18.991
  701    HA   PRO  90           HA       PRO  90  -0.090  -5.253 -22.599
  702   1HB   PRO  90          2HB       PRO  90  -0.788  -5.955 -25.180
  703   2HB   PRO  90          3HB       PRO  90  -0.168  -7.103 -23.962
  704   1HG   PRO  90          2HG       PRO  90  -2.992  -6.692 -24.896
  705   2HG   PRO  90          3HG       PRO  90  -2.185  -8.194 -24.355
  706   1HD   PRO  90          2HD       PRO  90  -3.913  -6.597 -22.809
  707   2HD   PRO  90          3HD       PRO  90  -2.760  -7.799 -22.152
  708    H    MET  91           H        MET  91  -3.375  -4.551 -23.882
  709    HA   MET  91           HA       MET  91  -2.651  -2.363 -25.524
  710   1HB   MET  91          2HB       MET  91  -4.907  -3.655 -25.344
  711   2HB   MET  91          3HB       MET  91  -5.266  -2.591 -23.981
  712   1HG   MET  91          2HG       MET  91  -6.239  -1.504 -25.838
  713   2HG   MET  91          3HG       MET  91  -4.734  -0.630 -25.575
  714   1HE   MET  91          1HE       MET  91  -6.920  -2.702 -27.982
  715   2HE   MET  91          2HE       MET  91  -5.746  -3.515 -29.042
  716   3HE   MET  91          3HE       MET  91  -5.876  -3.988 -27.335
  717    H    GLU  92           H        GLU  92  -2.233  -0.205 -25.060
  718    HA   GLU  92           HA       GLU  92  -2.414   0.589 -22.191
  719   1HB   GLU  92          2HB       GLU  92  -0.119   0.404 -23.533
  720   2HB   GLU  92          3HB       GLU  92  -0.597   1.977 -24.164
  721   1HG   GLU  92          2HG       GLU  92  -1.106   2.153 -21.385
  722   2HG   GLU  92          3HG       GLU  92   0.368   1.193 -21.486
  723    H    THR  93           H        THR  93  -2.343   2.127 -25.480
  724    HA   THR  93           HA       THR  93  -4.689   3.772 -24.769
  725    HB   THR  93           HB       THR  93  -3.407   5.639 -25.929
  726    HG1  THR  93          1HG       THR  93  -1.285   5.334 -26.322
  727   1HG2  THR  93          1HG       THR  93  -1.921   6.158 -23.994
  728   2HG2  THR  93          2HG       THR  93  -3.543   5.643 -23.486
  729   3HG2  THR  93          3HG       THR  93  -2.169   4.526 -23.369
  730    H    LEU  94           H        LEU  94  -5.076   5.088 -27.109
  731    HA   LEU  94           HA       LEU  94  -4.785   3.395 -29.415
  732   1HB   LEU  94          2HB       LEU  94  -6.726   2.312 -28.470
  733   2HB   LEU  94          3HB       LEU  94  -7.418   3.858 -27.962
  734    HG   LEU  94           HG       LEU  94  -7.798   4.471 -30.353
  735   1HD1  LEU  94          1HD       LEU  94  -7.312   1.563 -31.069
  736   2HD1  LEU  94          2HD       LEU  94  -7.460   2.985 -32.130
  737   3HD1  LEU  94          3HD       LEU  94  -5.988   2.746 -31.189
  738   1HD2  LEU  94          1HD       LEU  94  -9.008   1.892 -29.300
  739   2HD2  LEU  94          2HD       LEU  94  -9.583   3.551 -29.030
  740   3HD2  LEU  94          3HD       LEU  94  -9.667   2.842 -30.653
  741    HHA  HEM  95          MHG       HEM  95  11.854   0.576   8.721
  742    HHB  HEM  95          MHD       HEM  95   5.546   0.004   9.603
  743    HHC  HEM  95          MHA       HEM  95   4.705  -0.773   3.318
  744    HHD  HEM  95          MHB       HEM  95  11.014   0.097   2.311
  745   1HMA  HEM  95          1HM       HEM  95   8.036   0.449  12.420
  746   2HMA  HEM  95          2HM       HEM  95   6.667   1.093  11.522
  747   3HMA  HEM  95          3HM       HEM  95   6.863  -0.661  11.697
  748   1HAA  HEM  95          1HP       HEM  95  10.121   0.222  12.119
  749   2HAA  HEM  95          2HP       HEM  95  11.263   1.038  11.066
  750   1HBA  HEM  95          3HP       HEM  95  12.210  -0.988  10.325
  751   2HBA  HEM  95          4HP       HEM  95  10.744  -1.911  10.673
  752   1HMB  HEM  95          1HM       HEM  95   3.265   0.540   8.916
  753   2HMB  HEM  95          2HM       HEM  95   2.209  -0.573   8.030
  754   3HMB  HEM  95          3HM       HEM  95   3.514  -1.211   9.037
  755    HAB  HEM  95          AHT       HEM  95   2.613  -0.729   4.232
  756   1HBB  HEM  95          CHV       HEM  95   2.300  -2.366   6.765
  757   2HBB  HEM  95          THV       HEM  95   0.955  -1.852   5.593
  758   1HMC  HEM  95          1HM       HEM  95   5.039  -1.226   1.308
  759   2HMC  HEM  95          2HM       HEM  95   5.942  -0.390   0.074
  760   3HMC  HEM  95          3HM       HEM  95   6.369  -2.064   0.530
  761    HAC  HEM  95          AHT       HEM  95  10.109  -0.584   0.324
  762   1HBC  HEM  95          THV       HEM  95   9.183   0.452  -1.608
  763   2HBC  HEM  95          CHV       HEM  95   7.559   0.718  -0.755
  764   1HMD  HEM  95          1HM       HEM  95  12.841   1.244   2.705
  765   2HMD  HEM  95          2HM       HEM  95  14.022   1.649   3.927
  766   3HMD  HEM  95          3HM       HEM  95  13.902  -0.032   3.323
  767   1HAD  HEM  95          1HP       HEM  95  13.755   0.557   7.797
  768   2HAD  HEM  95          2HP       HEM  95  13.964   1.991   6.814
  769   1HBD  HEM  95          3HP       HEM  95  15.906   0.380   6.959
  770   2HBD  HEM  95          4HP       HEM  95  15.451   0.846   5.332
  Start of MODEL   38
    1   1H    ASP   1           H1       ASP   1 -24.396 -10.581   1.711
    2   2H    ASP   1           H2       ASP   1 -25.727  -9.679   1.373
    3   3H    ASP   1           H3       ASP   1 -25.384 -10.941   0.404
    4    HA   ASP   1           HA       ASP   1 -23.321  -9.806  -0.283
    5   1HB   ASP   1          2HB       ASP   1 -24.544  -7.898  -1.503
    6   2HB   ASP   1          3HB       ASP   1 -25.074  -9.552  -1.814
    7    H    LYS   2           H        LYS   2 -21.764  -8.213   0.371
    8    HA   LYS   2           HA       LYS   2 -22.726  -6.416   2.517
    9   1HB   LYS   2          2HB       LYS   2 -20.793  -6.814   3.855
   10   2HB   LYS   2          3HB       LYS   2 -21.656  -8.329   3.613
   11   1HG   LYS   2          2HG       LYS   2 -19.937  -9.119   2.048
   12   2HG   LYS   2          3HG       LYS   2 -19.162  -7.528   2.036
   13   1HD   LYS   2          2HD       LYS   2 -17.854  -8.916   3.487
   14   2HD   LYS   2          3HD       LYS   2 -18.713  -7.728   4.472
   15   1HE   LYS   2          2HE       LYS   2 -20.539  -9.759   4.478
   16   2HE   LYS   2          3HE       LYS   2 -19.068 -10.711   4.277
   17   1HZ   LYS   2          1HZ       LYS   2 -19.180  -8.668   6.374
   18   2HZ   LYS   2          2HZ       LYS   2 -19.952 -10.096   6.615
   19   3HZ   LYS   2          3HZ       LYS   2 -18.330 -10.079   6.345
   20    H    ASP   3           H        ASP   3 -21.782  -4.410   2.565
   21    HA   ASP   3           HA       ASP   3 -20.302  -3.662   0.117
   22   1HB   ASP   3          2HB       ASP   3 -21.890  -2.165   2.234
   23   2HB   ASP   3          3HB       ASP   3 -20.767  -1.323   1.156
   24    H    VAL   4           H        VAL   4 -18.157  -3.258   0.241
   25    HA   VAL   4           HA       VAL   4 -16.936  -2.596   2.844
   26    HB   VAL   4           HB       VAL   4 -15.653  -4.557   0.947
   27   1HG1  VAL   4          1HG       VAL   4 -14.122  -4.924   2.694
   28   2HG1  VAL   4          2HG       VAL   4 -14.395  -3.176   2.797
   29   3HG1  VAL   4          3HG       VAL   4 -15.225  -4.253   3.921
   30   1HG2  VAL   4          1HG       VAL   4 -17.513  -5.834   1.560
   31   2HG2  VAL   4          2HG       VAL   4 -16.244  -6.315   2.697
   32   3HG2  VAL   4          3HG       VAL   4 -17.524  -5.204   3.226
   33    H    LYS   5           H        LYS   5 -14.541  -2.999   0.755
   34    HA   LYS   5           HA       LYS   5 -14.713  -0.214  -0.274
   35   1HB   LYS   5          2HB       LYS   5 -12.488  -1.816   0.892
   36   2HB   LYS   5          3HB       LYS   5 -12.166  -0.346  -0.062
   37   1HG   LYS   5          2HG       LYS   5 -14.125  -0.336   2.276
   38   2HG   LYS   5          3HG       LYS   5 -12.412  -0.091   2.547
   39   1HD   LYS   5          2HD       LYS   5 -12.390   1.866   1.073
   40   2HD   LYS   5          3HD       LYS   5 -14.037   1.547   0.544
   41   1HE   LYS   5          2HE       LYS   5 -14.560   1.753   3.138
   42   2HE   LYS   5          3HE       LYS   5 -13.020   2.638   3.149
   43   1HZ   LYS   5          1HZ       LYS   5 -13.993   3.971   1.283
   44   2HZ   LYS   5          2HZ       LYS   5 -15.436   3.245   1.571
   45   3HZ   LYS   5          3HZ       LYS   5 -14.751   4.188   2.735
   46    H    TYR   6           H        TYR   6 -12.947  -3.191  -1.075
   47    HA   TYR   6           HA       TYR   6 -12.232  -4.015  -3.090
   48   1HB   TYR   6          2HB       TYR   6 -15.233  -3.688  -3.201
   49   2HB   TYR   6          3HB       TYR   6 -14.330  -4.470  -4.477
   50    HD1  TYR   6           HD1      TYR   6 -14.464  -6.763  -4.476
   51    HD2  TYR   6           HD2      TYR   6 -14.293  -4.699  -0.710
   52    HE1  TYR   6           HE1      TYR   6 -14.721  -8.920  -3.275
   53    HE2  TYR   6           HE2      TYR   6 -14.528  -6.838   0.499
   54    HH   TYR   6           HH       TYR   6 -14.822  -9.137   0.284
   55    H    TYR   7           H        TYR   7 -10.813  -2.187  -3.988
   56    HA   TYR   7           HA       TYR   7 -12.285  -0.271  -5.639
   57   1HB   TYR   7          2HB       TYR   7  -9.632  -0.440  -4.177
   58   2HB   TYR   7          3HB       TYR   7  -9.859   0.674  -5.459
   59    HD1  TYR   7           HD1      TYR   7 -10.058   0.368  -2.000
   60    HD2  TYR   7           HD2      TYR   7 -12.098   2.165  -5.343
   61    HE1  TYR   7           HE1      TYR   7 -10.968   2.116  -0.512
   62    HE2  TYR   7           HE2      TYR   7 -13.020   3.913  -3.856
   63    HH   TYR   7           HH       TYR   7 -11.785   4.544  -0.802
   64    H    THR   8           H        THR   8 -11.370   0.168  -7.775
   65    HA   THR   8           HA       THR   8 -10.749  -2.356  -9.131
   66    HB   THR   8           HB       THR   8 -11.070  -0.759 -11.144
   67    HG1  THR   8          1HG       THR   8 -11.986   1.255 -10.596
   68   1HG2  THR   8          1HG       THR   8 -13.576  -0.328 -10.588
   69   2HG2  THR   8          2HG       THR   8 -12.999  -1.999 -10.610
   70   3HG2  THR   8          3HG       THR   8 -13.249  -1.159  -9.059
   71    H    LEU   9           H        LEU   9  -8.567  -2.826  -9.832
   72    HA   LEU   9           HA       LEU   9  -6.420  -1.575  -8.955
   73   1HB   LEU   9          2HB       LEU   9  -6.477  -2.594 -11.794
   74   2HB   LEU   9          3HB       LEU   9  -5.070  -2.304 -10.780
   75    HG   LEU   9           HG       LEU   9  -6.436  -3.927  -9.087
   76   1HD1  LEU   9          1HD       LEU   9  -7.325  -4.590 -11.901
   77   2HD1  LEU   9          2HD       LEU   9  -7.193  -5.852 -10.666
   78   3HD1  LEU   9          3HD       LEU   9  -8.290  -4.502 -10.411
   79   1HD2  LEU   9          1HD       LEU   9  -4.617  -4.793 -11.346
   80   2HD2  LEU   9          2HD       LEU   9  -4.129  -4.187  -9.733
   81   3HD2  LEU   9          3HD       LEU   9  -4.981  -5.720  -9.866
   82    H    GLU  10           H        GLU  10  -8.050  -0.471 -11.951
   83    HA   GLU  10           HA       GLU  10  -6.354   1.632 -12.718
   84   1HB   GLU  10          2HB       GLU  10  -9.283   1.060 -12.990
   85   2HB   GLU  10          3HB       GLU  10  -8.689   2.686 -13.379
   86   1HG   GLU  10          2HG       GLU  10  -6.978   1.721 -14.890
   87   2HG   GLU  10          3HG       GLU  10  -7.594   0.096 -14.555
   88    H    GLU  11           H        GLU  11  -9.038   1.780 -10.301
   89    HA   GLU  11           HA       GLU  11  -8.670   4.531  -9.678
   90   1HB   GLU  11          2HB       GLU  11 -10.708   3.325  -9.106
   91   2HB   GLU  11          3HB       GLU  11  -9.811   2.173  -8.121
   92   1HG   GLU  11          2HG       GLU  11 -10.911   3.607  -6.642
   93   2HG   GLU  11          3HG       GLU  11  -9.211   3.984  -6.535
   94    H    ILE  12           H        ILE  12  -7.158   1.506  -8.294
   95    HA   ILE  12           HA       ILE  12  -5.769   2.934  -6.270
   96    HB   ILE  12           HB       ILE  12  -5.184   0.288  -7.689
   97   1HG1  ILE  12          2HG       ILE  12  -5.845  -0.385  -5.274
   98   2HG1  ILE  12          3HG       ILE  12  -6.594   1.213  -5.204
   99   1HG2  ILE  12          1HG       ILE  12  -3.802   1.556  -5.293
  100   2HG2  ILE  12          2HG       ILE  12  -3.729  -0.172  -5.695
  101   3HG2  ILE  12          3HG       ILE  12  -3.074   0.991  -6.828
  102   1HD1  ILE  12          1HD       ILE  12  -8.181   0.664  -6.792
  103   2HD1  ILE  12          2HD       ILE  12  -7.282  -0.804  -7.295
  104   3HD1  ILE  12          3HD       ILE  12  -8.079  -0.753  -5.742
  105    H    LYS  13           H        LYS  13  -5.035   2.355  -9.686
  106    HA   LYS  13           HA       LYS  13  -2.337   3.464  -9.541
  107   1HB   LYS  13          2HB       LYS  13  -4.161   2.880 -11.900
  108   2HB   LYS  13          3HB       LYS  13  -2.466   3.338 -12.032
  109   1HG   LYS  13          2HG       LYS  13  -1.701   1.255 -11.483
  110   2HG   LYS  13          3HG       LYS  13  -2.878   1.053 -10.193
  111   1HD   LYS  13          2HD       LYS  13  -3.533  -0.627 -11.684
  112   2HD   LYS  13          3HD       LYS  13  -4.619   0.688 -12.067
  113   1HE   LYS  13          2HE       LYS  13  -4.030   0.092 -14.170
  114   2HE   LYS  13          3HE       LYS  13  -2.882   1.401 -13.841
  115   1HZ   LYS  13          1HZ       LYS  13  -2.431  -1.475 -14.008
  116   2HZ   LYS  13          2HZ       LYS  13  -1.510  -0.243 -14.597
  117   3HZ   LYS  13          3HZ       LYS  13  -1.469  -0.612 -12.990
  118    H    LYS  14           H        LYS  14  -5.327   4.913  -9.205
  119    HA   LYS  14           HA       LYS  14  -4.329   7.557 -10.174
  120   1HB   LYS  14          2HB       LYS  14  -7.116   6.398  -9.784
  121   2HB   LYS  14          3HB       LYS  14  -6.873   8.112  -9.525
  122   1HG   LYS  14          2HG       LYS  14  -7.538   8.006 -11.735
  123   2HG   LYS  14          3HG       LYS  14  -5.786   8.229 -11.826
  124   1HD   LYS  14          2HD       LYS  14  -5.545   5.751 -12.162
  125   2HD   LYS  14          3HD       LYS  14  -7.314   5.608 -12.167
  126   1HE   LYS  14          2HE       LYS  14  -5.839   7.497 -14.030
  127   2HE   LYS  14          3HE       LYS  14  -6.043   5.787 -14.442
  128   1HZ   LYS  14          1HZ       LYS  14  -8.375   6.032 -14.404
  129   2HZ   LYS  14          2HZ       LYS  14  -8.303   7.566 -13.807
  130   3HZ   LYS  14          3HZ       LYS  14  -7.787   7.246 -15.340
  131    H    HIS  15           H        HIS  15  -4.262   5.712  -7.404
  132    HA   HIS  15           HA       HIS  15  -4.408   8.142  -5.673
  133   1HB   HIS  15          2HB       HIS  15  -4.817   5.211  -5.160
  134   2HB   HIS  15          3HB       HIS  15  -4.568   6.353  -3.853
  135    HD1  HIS  15           HD1      HIS  15  -6.541   8.485  -3.777
  136    HD2  HIS  15           HD2      HIS  15  -7.304   4.885  -5.810
  137    HE1  HIS  15           HE1      HIS  15  -9.053   8.317  -4.056
  138    H    ASN  16           H        ASN  16  -2.313   7.556  -7.491
  139    HA   ASN  16           HA       ASN  16  -0.043   6.687  -5.752
  140   1HB   ASN  16          2HB       ASN  16   1.254   6.444  -7.819
  141   2HB   ASN  16          3HB       ASN  16  -0.185   5.421  -7.793
  142   1HD2  ASN  16          1HD       ASN  16   0.888   5.741 -10.247
  143   2HD2  ASN  16          2HD       ASN  16  -0.184   6.801 -11.160
  144    H    HIS  17           H        HIS  17  -0.932   9.028  -4.908
  145    HA   HIS  17           HA       HIS  17   1.021  11.002  -5.973
  146   1HB   HIS  17          2HB       HIS  17  -1.831  11.728  -5.281
  147   2HB   HIS  17          3HB       HIS  17  -0.614  12.754  -6.039
  148    HD1  HIS  17           HD1      HIS  17  -0.027  11.991  -8.707
  149    HD2  HIS  17           HD2      HIS  17  -3.398  10.294  -6.826
  150    HE1  HIS  17           HE1      HIS  17  -1.526  11.066 -10.555
  151    H    SER  18           H        SER  18   1.260  12.860  -4.382
  152    HA   SER  18           HA       SER  18   1.692  11.813  -1.737
  153   1HB   SER  18          2HB       SER  18   3.086  13.500  -3.208
  154   2HB   SER  18          3HB       SER  18   2.043  14.724  -2.463
  155    HG   SER  18           HG       SER  18   3.465  14.506  -0.881
  156    H    LYS  19           H        LYS  19  -0.806  11.510  -1.698
  157    HA   LYS  19           HA       LYS  19  -2.102  13.208   0.158
  158   1HB   LYS  19          2HB       LYS  19  -3.776  14.188  -1.165
  159   2HB   LYS  19          3HB       LYS  19  -2.262  14.596  -1.964
  160   1HG   LYS  19          2HG       LYS  19  -2.823  12.402  -3.390
  161   2HG   LYS  19          3HG       LYS  19  -4.471  12.721  -2.823
  162   1HD   LYS  19          2HD       LYS  19  -3.890  15.202  -3.680
  163   2HD   LYS  19          3HD       LYS  19  -2.678  14.334  -4.627
  164   1HE   LYS  19          2HE       LYS  19  -4.399  14.170  -6.126
  165   2HE   LYS  19          3HE       LYS  19  -4.770  12.731  -5.169
  166   1HZ   LYS  19          1HZ       LYS  19  -5.971  15.005  -4.013
  167   2HZ   LYS  19          2HZ       LYS  19  -6.378  14.927  -5.603
  168   3HZ   LYS  19          3HZ       LYS  19  -6.694  13.654  -4.609
  169    H    SER  20           H        SER  20  -2.303  10.546  -2.276
  170    HA   SER  20           HA       SER  20  -4.011   9.081  -0.381
  171   1HB   SER  20          2HB       SER  20  -4.380   9.665  -3.354
  172   2HB   SER  20          3HB       SER  20  -5.070   8.225  -2.637
  173    HG   SER  20           HG       SER  20  -5.843  10.013  -1.008
  174    H    THR  21           H        THR  21  -1.057   9.019  -0.925
  175    HA   THR  21           HA       THR  21  -0.134   7.105  -2.715
  176    HB   THR  21           HB       THR  21   0.645   7.653   0.161
  177    HG1  THR  21          1HG       THR  21   0.804   9.132  -1.909
  178   1HG2  THR  21          1HG       THR  21   1.560   5.398  -1.160
  179   2HG2  THR  21          2HG       THR  21   2.731   6.606  -1.691
  180   3HG2  THR  21          3HG       THR  21   2.448   6.315   0.047
  181    H    TRP  22           H        TRP  22  -1.585   5.485  -3.098
  182    HA   TRP  22           HA       TRP  22  -1.999   3.495  -0.948
  183   1HB   TRP  22          2HB       TRP  22  -3.242   3.935  -3.691
  184   2HB   TRP  22          3HB       TRP  22  -3.534   2.484  -2.744
  185    HD1  TRP  22           HD1      TRP  22  -3.498   5.294  -0.386
  186    HE1  TRP  22           HE1      TRP  22  -5.831   6.089   0.198
  187    HE3  TRP  22           HE3      TRP  22  -6.014   2.806  -3.989
  188    HZ2  TRP  22           HZ2      TRP  22  -8.508   5.852  -0.955
  189    HZ3  TRP  22           HZ3      TRP  22  -8.506   3.041  -4.224
  190    HH2  TRP  22           HH2      TRP  22  -9.724   4.602  -2.771
  191    H    LEU  23           H        LEU  23  -1.913   1.201  -1.943
  192    HA   LEU  23           HA       LEU  23  -0.187   0.664  -4.138
  193   1HB   LEU  23          2HB       LEU  23   1.695  -0.352  -2.769
  194   2HB   LEU  23          3HB       LEU  23   1.652   1.387  -2.869
  195    HG   LEU  23           HG       LEU  23   0.403   1.305  -0.542
  196   1HD1  LEU  23          1HD       LEU  23   0.172  -1.233  -0.576
  197   2HD1  LEU  23          2HD       LEU  23   1.952  -1.274  -0.509
  198   3HD1  LEU  23          3HD       LEU  23   1.031  -0.562   0.830
  199   1HD2  LEU  23          1HD       LEU  23   2.614   2.259  -0.824
  200   2HD2  LEU  23          2HD       LEU  23   2.629   1.171   0.571
  201   3HD2  LEU  23          3HD       LEU  23   3.345   0.641  -0.953
  202    H    ILE  24           H        ILE  24   0.284  -1.772  -4.163
  203    HA   ILE  24           HA       ILE  24  -2.127  -3.143  -3.058
  204    HB   ILE  24           HB       ILE  24  -0.279  -3.656  -5.471
  205   1HG1  ILE  24          2HG       ILE  24  -3.138  -3.305  -6.042
  206   2HG1  ILE  24          3HG       ILE  24  -2.394  -1.873  -5.357
  207   1HG2  ILE  24          1HG       ILE  24  -0.874  -5.800  -5.315
  208   2HG2  ILE  24          2HG       ILE  24  -2.131  -5.472  -4.111
  209   3HG2  ILE  24          3HG       ILE  24  -2.486  -5.330  -5.843
  210   1HD1  ILE  24          1HD       ILE  24  -2.409  -2.428  -7.998
  211   2HD1  ILE  24          2HD       ILE  24  -1.131  -1.481  -7.222
  212   3HD1  ILE  24          3HD       ILE  24  -0.876  -3.207  -7.572
  213    H    LEU  25           H        LEU  25  -1.323  -4.334  -1.211
  214    HA   LEU  25           HA       LEU  25   1.257  -5.768  -1.584
  215   1HB   LEU  25          2HB       LEU  25   0.079  -4.288   0.769
  216   2HB   LEU  25          3HB       LEU  25   1.105  -5.680   1.091
  217    HG   LEU  25           HG       LEU  25   1.962  -3.397  -0.707
  218   1HD1  LEU  25          1HD       LEU  25   1.402  -2.663   1.662
  219   2HD1  LEU  25          2HD       LEU  25   2.673  -3.784   2.222
  220   3HD1  LEU  25          3HD       LEU  25   3.105  -2.419   1.171
  221   1HD2  LEU  25          1HD       LEU  25   4.200  -4.314  -0.114
  222   2HD2  LEU  25          2HD       LEU  25   3.391  -5.603   0.819
  223   3HD2  LEU  25          3HD       LEU  25   3.127  -5.457  -0.929
  224    H    HIS  26           H        HIS  26   0.640  -7.811  -2.102
  225    HA   HIS  26           HA       HIS  26  -0.534  -9.775  -2.082
  226   1HB   HIS  26          2HB       HIS  26  -0.885  -9.073   0.864
  227   2HB   HIS  26          3HB       HIS  26  -1.321 -10.609   0.146
  228    HD1  HIS  26           HD1      HIS  26   0.604 -12.336  -0.245
  229    HD2  HIS  26           HD2      HIS  26   1.808  -8.512   1.047
  230    HE1  HIS  26           HE1      HIS  26   3.065 -12.530   0.441
  231    H    HIS  27           H        HIS  27  -2.155  -8.710  -3.529
  232    HA   HIS  27           HA       HIS  27  -4.216  -7.993  -4.117
  233   1HB   HIS  27          2HB       HIS  27  -5.900  -9.748  -3.784
  234   2HB   HIS  27          3HB       HIS  27  -4.344 -10.383  -4.275
  235    HD1  HIS  27           HD1      HIS  27  -6.931 -10.869  -1.669
  236    HD2  HIS  27           HD2      HIS  27  -2.820 -11.571  -2.174
  237    HE1  HIS  27           HE1      HIS  27  -6.258 -12.659   0.058
  238    H    LYS  28           H        LYS  28  -3.468  -6.433  -1.919
  239    HA   LYS  28           HA       LYS  28  -6.091  -5.850  -0.729
  240   1HB   LYS  28          2HB       LYS  28  -3.483  -6.410   0.682
  241   2HB   LYS  28          3HB       LYS  28  -4.635  -5.291   1.393
  242   1HG   LYS  28          2HG       LYS  28  -5.142  -8.235   0.748
  243   2HG   LYS  28          3HG       LYS  28  -4.865  -7.532   2.346
  244   1HD   LYS  28          2HD       LYS  28  -6.879  -5.926   1.341
  245   2HD   LYS  28          3HD       LYS  28  -7.260  -7.515   0.623
  246   1HE   LYS  28          2HE       LYS  28  -7.614  -8.493   2.733
  247   2HE   LYS  28          3HE       LYS  28  -6.656  -7.255   3.564
  248   1HZ   LYS  28          1HZ       LYS  28  -8.403  -5.654   2.977
  249   2HZ   LYS  28          2HZ       LYS  28  -9.338  -6.876   2.351
  250   3HZ   LYS  28          3HZ       LYS  28  -8.970  -6.861   3.951
  251    H    VAL  29           H        VAL  29  -6.319  -3.594  -0.133
  252    HA   VAL  29           HA       VAL  29  -4.473  -1.851  -1.673
  253    HB   VAL  29           HB       VAL  29  -7.414  -1.988  -1.204
  254   1HG1  VAL  29          1HG       VAL  29  -7.583   0.457  -1.999
  255   2HG1  VAL  29          2HG       VAL  29  -7.314   0.011  -0.327
  256   3HG1  VAL  29          3HG       VAL  29  -5.944   0.608  -1.320
  257   1HG2  VAL  29          1HG       VAL  29  -7.300  -0.886  -3.575
  258   2HG2  VAL  29          2HG       VAL  29  -5.706  -1.678  -3.552
  259   3HG2  VAL  29          3HG       VAL  29  -7.216  -2.605  -3.290
  260    H    TYR  30           H        TYR  30  -3.069  -0.865  -0.330
  261    HA   TYR  30           HA       TYR  30  -3.986  -0.170   2.395
  262   1HB   TYR  30          2HB       TYR  30  -1.328  -0.662   1.031
  263   2HB   TYR  30          3HB       TYR  30  -1.467   0.071   2.600
  264    HD1  TYR  30           HD1      TYR  30  -1.921  -3.016   0.661
  265    HD2  TYR  30           HD2      TYR  30  -2.199  -1.267   4.588
  266    HE1  TYR  30           HE1      TYR  30  -1.965  -5.269   1.678
  267    HE2  TYR  30           HE2      TYR  30  -2.321  -3.581   5.561
  268    HH   TYR  30           HH       TYR  30  -2.045  -6.513   3.612
  269    H    ASP  31           H        ASP  31  -3.261   1.943   3.158
  270    HA   ASP  31           HA       ASP  31  -2.609   3.986   1.128
  271   1HB   ASP  31          2HB       ASP  31  -5.017   4.013   1.524
  272   2HB   ASP  31          3HB       ASP  31  -4.780   4.120   3.271
  273    H    LEU  32           H        LEU  32  -0.767   4.830   1.823
  274    HA   LEU  32           HA       LEU  32  -0.346   5.067   4.750
  275   1HB   LEU  32          2HB       LEU  32   2.155   4.777   3.313
  276   2HB   LEU  32          3HB       LEU  32   1.533   3.997   4.766
  277    HG   LEU  32           HG       LEU  32   0.880   2.965   1.998
  278   1HD1  LEU  32          1HD       LEU  32   2.698   1.270   2.732
  279   2HD1  LEU  32          2HD       LEU  32   3.215   2.850   2.153
  280   3HD1  LEU  32          3HD       LEU  32   3.195   2.489   3.900
  281   1HD2  LEU  32          1HD       LEU  32   0.585   0.834   3.375
  282   2HD2  LEU  32          2HD       LEU  32   0.677   1.838   4.834
  283   3HD2  LEU  32          3HD       LEU  32  -0.637   2.071   3.669
  284    H    THR  33           H        THR  33  -1.436   6.956   2.667
  285    HA   THR  33           HA       THR  33   0.388   9.009   2.051
  286    HB   THR  33           HB       THR  33  -2.522   8.701   2.290
  287    HG1  THR  33          1HG       THR  33  -0.810  10.471   0.891
  288   1HG2  THR  33          1HG       THR  33  -1.428  11.475   2.756
  289   2HG2  THR  33          2HG       THR  33  -3.114  11.032   2.366
  290   3HG2  THR  33          3HG       THR  33  -2.442  10.549   3.905
  291    H    LYS  34           H        LYS  34  -1.446   8.670   5.133
  292    HA   LYS  34           HA       LYS  34  -0.031  11.031   6.104
  293   1HB   LYS  34          2HB       LYS  34  -2.447  10.096   6.643
  294   2HB   LYS  34          3HB       LYS  34  -1.628   9.195   7.916
  295   1HG   LYS  34          2HG       LYS  34  -1.100  12.167   7.614
  296   2HG   LYS  34          3HG       LYS  34  -2.674  11.651   8.201
  297   1HD   LYS  34          2HD       LYS  34  -1.464  10.298  10.007
  298   2HD   LYS  34          3HD       LYS  34   0.015  11.145   9.529
  299   1HE   LYS  34          2HE       LYS  34  -0.578  12.876  10.823
  300   2HE   LYS  34          3HE       LYS  34  -1.902  13.180   9.692
  301   1HZ   LYS  34          1HZ       LYS  34  -3.115  11.430  11.091
  302   2HZ   LYS  34          2HZ       LYS  34  -1.967  11.727  12.233
  303   3HZ   LYS  34          3HZ       LYS  34  -2.947  12.944  11.713
  304    H    PHE  35           H        PHE  35   1.011   7.960   5.582
  305    HA   PHE  35           HA       PHE  35   2.702   7.735   7.979
  306   1HB   PHE  35          2HB       PHE  35   1.116   5.920   7.260
  307   2HB   PHE  35          3HB       PHE  35   2.033   5.779   5.792
  308    HD1  PHE  35          1HD       PHE  35   3.426   3.933   5.654
  309    HD2  PHE  35          2HD       PHE  35   2.940   5.870   9.471
  310    HE1  PHE  35          1HE       PHE  35   4.860   2.253   6.662
  311    HE2  PHE  35          2HE       PHE  35   4.555   4.285  10.465
  312    HZ   PHE  35           HZ       PHE  35   5.591   2.481   9.039
  313    H    LEU  36           H        LEU  36   2.660   8.667   4.647
  314    HA   LEU  36           HA       LEU  36   5.248   7.862   3.804
  315   1HB   LEU  36          2HB       LEU  36   3.545  10.385   3.332
  316   2HB   LEU  36          3HB       LEU  36   5.144  10.207   2.609
  317    HG   LEU  36           HG       LEU  36   2.671   8.535   2.067
  318   1HD1  LEU  36          1HD       LEU  36   2.329  10.103   0.511
  319   2HD1  LEU  36          2HD       LEU  36   3.849  10.924   0.886
  320   3HD1  LEU  36          3HD       LEU  36   3.828   9.609  -0.293
  321   1HD2  LEU  36          1HD       LEU  36   5.563   8.096   1.306
  322   2HD2  LEU  36          2HD       LEU  36   4.362   6.940   1.949
  323   3HD2  LEU  36          3HD       LEU  36   4.247   7.520   0.279
  324    H    GLU  37           H        GLU  37   4.630  10.992   5.361
  325    HA   GLU  37           HA       GLU  37   7.484  11.121   5.953
  326   1HB   GLU  37          2HB       GLU  37   5.130  12.923   6.609
  327   2HB   GLU  37          3HB       GLU  37   6.824  13.303   6.996
  328   1HG   GLU  37          2HG       GLU  37   7.447  13.170   4.626
  329   2HG   GLU  37          3HG       GLU  37   5.810  12.692   4.174
  330    H    GLU  38           H        GLU  38   5.505   9.007   7.223
  331    HA   GLU  38           HA       GLU  38   6.432   9.356  10.007
  332   1HB   GLU  38          2HB       GLU  38   3.763   9.320   9.035
  333   2HB   GLU  38          3HB       GLU  38   4.057   7.710   9.696
  334   1HG   GLU  38          2HG       GLU  38   5.058   9.089  11.730
  335   2HG   GLU  38          3HG       GLU  38   4.059  10.382  11.055
  336    H    HIS  39           HN       HIS  39   6.750   7.442   7.196
  337    HA   HIS  39           HA       HIS  39   6.722   4.898   8.489
  338   1HB   HIS  39          2HB       HIS  39   6.170   4.965   6.145
  339   2HB   HIS  39          3HB       HIS  39   7.670   5.774   5.759
  340    HD1  HIS  39           HND      HIS  39   9.103   4.273   4.461
  341    HD2  HIS  39           HD       HIS  39   6.950   2.140   7.338
  342    HE1  HIS  39           HE       HIS  39   9.676   1.883   4.106
  343    HA   PRO  40           HA       PRO  40  10.862   5.645  10.001
  344   1HB   PRO  40          2HB       PRO  40  11.265   3.259  11.329
  345   2HB   PRO  40          3HB       PRO  40  10.249   4.590  11.946
  346   1HG   PRO  40          2HG       PRO  40   9.346   2.062  10.585
  347   2HG   PRO  40          3HG       PRO  40   8.595   2.932  11.952
  348   1HD   PRO  40          2HD       PRO  40   7.832   3.074   9.282
  349   2HD   PRO  40          3HD       PRO  40   7.470   4.333  10.504
  350    H    GLY  41           H        GLY  41  11.730   5.802   7.924
  351   1HA   GLY  41          2HA       GLY  41  13.825   4.230   7.209
  352   2HA   GLY  41          3HA       GLY  41  12.445   3.404   6.437
  353    H    GLY  42           H        GLY  42  11.027   4.736   5.031
  354   1HA   GLY  42          2HA       GLY  42  12.196   7.190   3.969
  355   2HA   GLY  42          3HA       GLY  42  12.360   5.812   2.874
  356    H    GLU  43           H        GLU  43  10.617   8.389   3.149
  357    HA   GLU  43           HA       GLU  43   7.997   7.322   2.515
  358   1HB   GLU  43          2HB       GLU  43   7.391   9.543   1.964
  359   2HB   GLU  43          3HB       GLU  43   8.424   9.582   3.390
  360   1HG   GLU  43          2HG       GLU  43   9.832  11.001   2.462
  361   2HG   GLU  43          3HG       GLU  43  10.128   9.954   1.099
  362    H    GLU  44           H        GLU  44  10.803   7.956   0.568
  363    HA   GLU  44           HA       GLU  44   9.280   8.207  -1.941
  364   1HB   GLU  44          2HB       GLU  44  11.529   9.174  -1.874
  365   2HB   GLU  44          3HB       GLU  44  12.237   7.553  -1.680
  366   1HG   GLU  44          2HG       GLU  44  11.255   6.893  -3.913
  367   2HG   GLU  44          3HG       GLU  44  10.579   8.513  -4.074
  368    H    VAL  45           H        VAL  45  11.050   5.494  -0.358
  369    HA   VAL  45           HA       VAL  45  10.491   3.550  -2.352
  370    HB   VAL  45           HB       VAL  45  10.344   1.991  -0.329
  371   1HG1  VAL  45          1HG       VAL  45  12.467   1.931  -1.108
  372   2HG1  VAL  45          2HG       VAL  45  12.632   3.695  -1.156
  373   3HG1  VAL  45          3HG       VAL  45  12.831   2.823   0.382
  374   1HG2  VAL  45          1HG       VAL  45   9.513   3.820   1.248
  375   2HG2  VAL  45          2HG       VAL  45  10.779   2.752   1.854
  376   3HG2  VAL  45          3HG       VAL  45  11.188   4.387   1.309
  377    H    LEU  46           H        LEU  46   8.256   5.391  -0.459
  378    HA   LEU  46           HA       LEU  46   6.192   3.151  -0.788
  379   1HB   LEU  46          2HB       LEU  46   5.823   5.899   0.382
  380   2HB   LEU  46          3HB       LEU  46   4.662   4.553   0.395
  381    HG   LEU  46           HG       LEU  46   7.227   4.955   1.942
  382   1HD1  LEU  46          1HD       LEU  46   5.705   5.201   3.588
  383   2HD1  LEU  46          2HD       LEU  46   4.390   4.612   2.574
  384   3HD1  LEU  46          3HD       LEU  46   5.388   3.442   3.454
  385   1HD2  LEU  46          1HD       LEU  46   7.309   2.617   2.614
  386   2HD2  LEU  46          2HD       LEU  46   6.022   2.218   1.426
  387   3HD2  LEU  46          3HD       LEU  46   7.631   2.763   0.911
  388    H    ARG  47           H        ARG  47   7.234   6.088  -2.343
  389    HA   ARG  47           HA       ARG  47   4.832   6.271  -3.993
  390   1HB   ARG  47          2HB       ARG  47   6.558   8.127  -3.028
  391   2HB   ARG  47          3HB       ARG  47   7.274   7.876  -4.630
  392   1HG   ARG  47          2HG       ARG  47   5.021   8.341  -5.654
  393   2HG   ARG  47          3HG       ARG  47   4.351   8.535  -4.024
  394   1HD   ARG  47          2HD       ARG  47   4.777  10.739  -4.528
  395   2HD   ARG  47          3HD       ARG  47   6.273  10.295  -3.708
  396    HE   ARG  47           HE       ARG  47   5.959  10.179  -6.676
  397   1HH1  ARG  47          2HH       ARG  47   7.836  11.379  -3.890
  398   2HH1  ARG  47          1HH       ARG  47   9.043  12.126  -4.858
  399   1HH2  ARG  47          2HH       ARG  47   7.533  11.243  -7.956
  400   2HH2  ARG  47          1HH       ARG  47   8.854  12.071  -7.216
  401    H    GLU  48           H        GLU  48   8.021   4.796  -4.203
  402    HA   GLU  48           HA       GLU  48   8.118   4.595  -7.079
  403   1HB   GLU  48          2HB       GLU  48   9.543   3.459  -4.692
  404   2HB   GLU  48          3HB       GLU  48   9.616   2.508  -6.170
  405   1HG   GLU  48          2HG       GLU  48  10.150   5.320  -6.762
  406   2HG   GLU  48          3HG       GLU  48  11.222   4.723  -5.495
  407    H    GLN  49           H        GLN  49   6.700   2.520  -4.507
  408    HA   GLN  49           HA       GLN  49   5.719   0.646  -6.582
  409   1HB   GLN  49          2HB       GLN  49   5.953   0.607  -3.550
  410   2HB   GLN  49          3HB       GLN  49   5.110  -0.625  -4.503
  411   1HG   GLN  49          2HG       GLN  49   7.357  -1.220  -3.801
  412   2HG   GLN  49          3HG       GLN  49   7.061  -1.380  -5.546
  413   1HE2  GLN  49          1HE       GLN  49   8.883  -0.829  -6.737
  414   2HE2  GLN  49          2HE       GLN  49  10.014   0.419  -6.228
  415    H    ALA  50           H        ALA  50   4.728   3.482  -5.104
  416    HA   ALA  50           HA       ALA  50   2.146   3.011  -4.223
  417   1HB   ALA  50          1HB       ALA  50   2.981   5.154  -3.878
  418   2HB   ALA  50          2HB       ALA  50   3.480   5.336  -5.581
  419   3HB   ALA  50          3HB       ALA  50   1.759   5.420  -5.128
  420    H    GLY  51           H        GLY  51   0.151   2.944  -5.136
  421   1HA   GLY  51          2HA       GLY  51  -1.416   2.227  -6.607
  422   2HA   GLY  51          3HA       GLY  51  -0.633   3.238  -7.822
  423    H    GLY  52           H        GLY  52   1.270   0.617  -6.341
  424   1HA   GLY  52          2HA       GLY  52   0.998  -1.076  -8.733
  425   2HA   GLY  52          3HA       GLY  52   2.555  -0.305  -8.322
  426    H    ASP  53           H        ASP  53   2.976  -2.844  -8.265
  427    HA   ASP  53           HA       ASP  53   1.961  -4.111  -5.835
  428   1HB   ASP  53          2HB       ASP  53   2.469  -5.324  -8.075
  429   2HB   ASP  53          3HB       ASP  53   4.177  -5.182  -7.619
  430    H    ALA  54           H        ALA  54   2.820  -3.543  -3.949
  431    HA   ALA  54           HA       ALA  54   5.731  -2.909  -3.809
  432   1HB   ALA  54          1HB       ALA  54   4.739  -1.297  -2.493
  433   2HB   ALA  54          2HB       ALA  54   3.314  -2.295  -2.168
  434   3HB   ALA  54          3HB       ALA  54   4.830  -2.563  -1.285
  435    H    THR  55           H        THR  55   3.716  -5.690  -3.621
  436    HA   THR  55           HA       THR  55   4.475  -6.840  -1.278
  437    HB   THR  55           HB       THR  55   4.016  -8.280  -3.933
  438    HG1  THR  55          1HG       THR  55   2.227  -7.241  -3.883
  439   1HG2  THR  55          1HG       THR  55   4.468  -9.924  -2.356
  440   2HG2  THR  55          2HG       THR  55   3.856  -8.938  -1.014
  441   3HG2  THR  55          3HG       THR  55   2.712  -9.721  -2.131
  442    H    GLU  56           H        GLU  56   6.320  -7.129  -4.378
  443    HA   GLU  56           HA       GLU  56   8.241  -8.944  -3.379
  444   1HB   GLU  56          2HB       GLU  56   8.331  -6.729  -5.450
  445   2HB   GLU  56          3HB       GLU  56   9.814  -7.569  -4.979
  446   1HG   GLU  56          2HG       GLU  56   8.527  -9.767  -5.433
  447   2HG   GLU  56          3HG       GLU  56   7.345  -8.760  -6.276
  448    H    ASN  57           H        ASN  57   7.999  -5.393  -2.849
  449    HA   ASN  57           HA       ASN  57  10.582  -5.243  -1.581
  450   1HB   ASN  57          2HB       ASN  57   8.225  -3.338  -1.217
  451   2HB   ASN  57          3HB       ASN  57   9.941  -3.022  -1.023
  452   1HD2  ASN  57          1HD       ASN  57  10.959  -2.025  -2.787
  453   2HD2  ASN  57          2HD       ASN  57  10.244  -2.002  -4.390
  454    H    PHE  58           H        PHE  58   7.189  -5.149  -0.450
  455    HA   PHE  58           HA       PHE  58   7.844  -5.083   2.380
  456   1HB   PHE  58          2HB       PHE  58   5.581  -4.854   1.487
  457   2HB   PHE  58          3HB       PHE  58   5.520  -6.593   1.160
  458    HD1  PHE  58          1HD       PHE  58   5.534  -3.958   3.783
  459    HD2  PHE  58          2HD       PHE  58   5.129  -8.183   3.001
  460    HE1  PHE  58          1HE       PHE  58   4.577  -4.284   6.043
  461    HE2  PHE  58          2HE       PHE  58   4.178  -8.504   5.264
  462    HZ   PHE  58           HZ       PHE  58   3.893  -6.560   6.791
  463    H    GLU  59           H        GLU  59   7.863  -7.914   0.222
  464    HA   GLU  59           HA       GLU  59   8.237  -9.771   2.385
  465   1HB   GLU  59          2HB       GLU  59   8.035  -9.822  -0.605
  466   2HB   GLU  59          3HB       GLU  59   9.114 -11.042   0.009
  467   1HG   GLU  59          2HG       GLU  59   6.308 -10.733   1.127
  468   2HG   GLU  59          3HG       GLU  59   6.645 -11.666  -0.336
  469    H    ASP  60           H        ASP  60  10.413  -8.504  -0.224
  470    HA   ASP  60           HA       ASP  60  12.691  -9.992   0.504
  471   1HB   ASP  60          2HB       ASP  60  12.340  -8.736  -1.633
  472   2HB   ASP  60          3HB       ASP  60  12.570  -7.218  -0.753
  473    H    VAL  61           H        VAL  61  11.528  -6.842   1.622
  474    HA   VAL  61           HA       VAL  61  13.752  -6.151   3.302
  475    HB   VAL  61           HB       VAL  61  10.777  -5.531   3.489
  476   1HG1  VAL  61          1HG       VAL  61  12.962  -4.869   5.356
  477   2HG1  VAL  61          2HG       VAL  61  12.144  -3.427   4.744
  478   3HG1  VAL  61          3HG       VAL  61  11.213  -4.699   5.548
  479   1HG2  VAL  61          1HG       VAL  61  12.118  -4.689   1.441
  480   2HG2  VAL  61          2HG       VAL  61  11.216  -3.492   2.380
  481   3HG2  VAL  61          3HG       VAL  61  12.980  -3.648   2.574
  482    H    GLY  62           H        GLY  62  10.755  -8.119   3.842
  483   1HA   GLY  62          2HA       GLY  62  10.525  -9.880   5.352
  484   2HA   GLY  62          3HA       GLY  62  12.213  -9.658   5.860
  485    H    HIS  63           HN       HIS  63   9.392  -7.501   5.781
  486    HA   HIS  63           HA       HIS  63  10.114  -5.861   7.778
  487   1HB   HIS  63          2HB       HIS  63   7.504  -6.611   6.485
  488   2HB   HIS  63          3HB       HIS  63   7.367  -5.648   7.923
  489    HD1  HIS  63           HND      HIS  63   8.717  -5.373   4.392
  490    HD2  HIS  63           HD       HIS  63   7.965  -3.078   7.831
  491    HE1  HIS  63           HE       HIS  63   8.875  -2.963   3.672
  492    H    SER  64           H        SER  64   9.128  -5.315   9.892
  493    HA   SER  64           HA       SER  64   9.169  -7.573  11.711
  494   1HB   SER  64          2HB       SER  64   8.946  -5.581  13.342
  495   2HB   SER  64          3HB       SER  64  10.397  -5.637  12.321
  496    HG   SER  64           HG       SER  64   9.780  -3.687  11.815
  497    H    THR  65           H        THR  65   7.435  -7.579  13.554
  498    HA   THR  65           HA       THR  65   4.874  -7.896  12.289
  499    HB   THR  65           HB       THR  65   5.958  -8.100  15.116
  500    HG1  THR  65          1HG       THR  65   6.455  -9.705  13.524
  501   1HG2  THR  65          1HG       THR  65   3.758  -9.239  15.623
  502   2HG2  THR  65          2HG       THR  65   3.681  -7.474  15.465
  503   3HG2  THR  65          3HG       THR  65   3.118  -8.510  14.126
  504    H    ASP  66           H        ASP  66   6.397  -5.302  14.222
  505    HA   ASP  66           HA       ASP  66   4.041  -3.881  14.881
  506   1HB   ASP  66          2HB       ASP  66   6.856  -3.565  15.137
  507   2HB   ASP  66          3HB       ASP  66   6.356  -2.175  14.189
  508    H    ALA  67           H        ALA  67   5.845  -4.228  11.902
  509    HA   ALA  67           HA       ALA  67   4.619  -1.976  10.517
  510   1HB   ALA  67          1HB       ALA  67   5.770  -2.935   8.573
  511   2HB   ALA  67          2HB       ALA  67   6.909  -2.920   9.958
  512   3HB   ALA  67          3HB       ALA  67   6.120  -4.418   9.456
  513    H    ARG  68           H        ARG  68   4.338  -5.580  10.442
  514    HA   ARG  68           HA       ARG  68   2.315  -5.736   8.625
  515   1HB   ARG  68          2HB       ARG  68   3.343  -7.695   9.512
  516   2HB   ARG  68          3HB       ARG  68   2.803  -7.385  11.153
  517   1HG   ARG  68          2HG       ARG  68   0.634  -7.700   9.104
  518   2HG   ARG  68          3HG       ARG  68   1.580  -9.138   9.502
  519   1HD   ARG  68          2HD       ARG  68   1.146  -8.810  11.902
  520   2HD   ARG  68          3HD       ARG  68   0.137  -7.400  11.552
  521    HE   ARG  68           HE       ARG  68  -0.962  -9.338   9.982
  522   1HH1  ARG  68          2HH       ARG  68  -0.283  -9.133  13.445
  523   2HH1  ARG  68          1HH       ARG  68  -1.465 -10.294  13.923
  524   1HH2  ARG  68          2HH       ARG  68  -2.521 -10.952  10.584
  525   2HH2  ARG  68          1HH       ARG  68  -2.793 -11.325  12.248
  526    H    GLU  69           H        GLU  69   2.137  -4.859  12.141
  527    HA   GLU  69           HA       GLU  69  -0.733  -4.924  12.420
  528   1HB   GLU  69          2HB       GLU  69   1.554  -3.922  14.073
  529   2HB   GLU  69          3HB       GLU  69   0.049  -3.020  14.248
  530   1HG   GLU  69          2HG       GLU  69  -1.111  -5.342  14.476
  531   2HG   GLU  69          3HG       GLU  69   0.517  -5.955  14.796
  532    H    LEU  70           H        LEU  70   1.455  -1.971  12.009
  533    HA   LEU  70           HA       LEU  70  -0.567  -0.247  11.508
  534   1HB   LEU  70          2HB       LEU  70   2.322  -0.514  10.805
  535   2HB   LEU  70          3HB       LEU  70   1.398   0.358   9.625
  536    HG   LEU  70           HG       LEU  70   2.192   2.071  10.879
  537   1HD1  LEU  70          1HD       LEU  70   0.327   3.099  11.902
  538   2HD1  LEU  70          2HD       LEU  70  -0.365   2.013  10.678
  539   3HD1  LEU  70          3HD       LEU  70  -0.342   1.530  12.407
  540   1HD2  LEU  70          1HD       LEU  70   1.880   1.927  13.466
  541   2HD2  LEU  70          2HD       LEU  70   1.735   0.177  13.159
  542   3HD2  LEU  70          3HD       LEU  70   3.215   1.045  12.675
  543    H    SER  71           H        SER  71   0.618  -2.788   9.315
  544    HA   SER  71           HA       SER  71  -0.629  -1.917   7.022
  545   1HB   SER  71          2HB       SER  71  -0.130  -3.849   6.103
  546   2HB   SER  71          3HB       SER  71   0.724  -4.162   7.605
  547    HG   SER  71           HG       SER  71  -1.036  -5.335   8.315
  548    H    LYS  72           H        LYS  72  -2.119  -3.547   9.794
  549    HA   LYS  72           HA       LYS  72  -4.660  -3.916   8.600
  550   1HB   LYS  72          2HB       LYS  72  -3.481  -4.720  10.944
  551   2HB   LYS  72          3HB       LYS  72  -4.456  -3.392  11.554
  552   1HG   LYS  72          2HG       LYS  72  -6.176  -4.902  11.606
  553   2HG   LYS  72          3HG       LYS  72  -6.247  -4.710   9.852
  554   1HD   LYS  72          2HD       LYS  72  -4.366  -6.564   9.816
  555   2HD   LYS  72          3HD       LYS  72  -4.881  -6.852  11.496
  556   1HE   LYS  72          2HE       LYS  72  -7.307  -6.814  10.380
  557   2HE   LYS  72          3HE       LYS  72  -6.410  -7.193   8.903
  558   1HZ   LYS  72          1HZ       LYS  72  -6.222  -8.754  11.400
  559   2HZ   LYS  72          2HZ       LYS  72  -7.222  -9.139  10.158
  560   3HZ   LYS  72          3HZ       LYS  72  -5.593  -9.165   9.929
  561    H    THR  73           H        THR  73  -3.303  -1.137  10.452
  562    HA   THR  73           HA       THR  73  -5.901   0.222  10.272
  563    HB   THR  73           HB       THR  73  -4.314   0.343  12.272
  564    HG1  THR  73          1HG       THR  73  -5.395   2.658  11.045
  565   1HG2  THR  73          1HG       THR  73  -3.044   2.556  10.636
  566   2HG2  THR  73          2HG       THR  73  -2.715   2.103  12.323
  567   3HG2  THR  73          3HG       THR  73  -2.308   0.982  11.006
  568    H    PHE  74           H        PHE  74  -3.477  -0.286   8.044
  569    HA   PHE  74           HA       PHE  74  -4.027   2.256   6.589
  570   1HB   PHE  74          2HB       PHE  74  -1.832   0.164   6.443
  571   2HB   PHE  74          3HB       PHE  74  -2.051   1.410   5.217
  572    HD1  PHE  74          1HD       PHE  74  -2.687   3.812   6.866
  573    HD2  PHE  74          2HD       PHE  74   0.250   0.683   7.273
  574    HE1  PHE  74          1HE       PHE  74  -1.280   5.314   8.222
  575    HE2  PHE  74          2HE       PHE  74   1.712   2.271   8.556
  576    HZ   PHE  74           HZ       PHE  74   0.862   4.468   9.146
  577    H    ILE  75           H        ILE  75  -4.930  -1.131   6.583
  578    HA   ILE  75           HA       ILE  75  -5.344  -1.229   3.754
  579    HB   ILE  75           HB       ILE  75  -5.501  -2.987   5.959
  580   1HG1  ILE  75          2HG       ILE  75  -6.299  -3.621   3.124
  581   2HG1  ILE  75          3HG       ILE  75  -4.650  -3.200   3.531
  582   1HG2  ILE  75          1HG       ILE  75  -7.907  -2.587   6.243
  583   2HG2  ILE  75          2HG       ILE  75  -8.185  -2.946   4.515
  584   3HG2  ILE  75          3HG       ILE  75  -7.615  -4.204   5.632
  585   1HD1  ILE  75          1HD       ILE  75  -6.195  -5.556   4.681
  586   2HD1  ILE  75          2HD       ILE  75  -4.804  -5.603   3.592
  587   3HD1  ILE  75          3HD       ILE  75  -4.599  -5.022   5.248
  588    H    ILE  76           H        ILE  76  -6.622   0.033   2.668
  589    HA   ILE  76           HA       ILE  76  -9.118   1.058   3.961
  590    HB   ILE  76           HB       ILE  76  -9.144   2.818   2.290
  591   1HG1  ILE  76          2HG       ILE  76  -6.704   3.031   1.115
  592   2HG1  ILE  76          3HG       ILE  76  -6.796   1.323   1.157
  593   1HG2  ILE  76          1HG       ILE  76  -6.571   2.620   3.887
  594   2HG2  ILE  76          2HG       ILE  76  -7.200   4.101   3.135
  595   3HG2  ILE  76          3HG       ILE  76  -8.129   3.293   4.407
  596   1HD1  ILE  76          1HD       ILE  76  -8.912   1.508  -0.169
  597   2HD1  ILE  76          2HD       ILE  76  -8.897   3.273   0.065
  598   3HD1  ILE  76          3HD       ILE  76  -7.646   2.483  -0.910
  599    H    GLY  77           H        GLY  77  -8.234  -1.602   2.310
  600   1HA   GLY  77          2HA       GLY  77 -10.739  -2.428   1.807
  601   2HA   GLY  77          3HA       GLY  77 -10.334  -1.574   0.295
  602    H    GLU  78           H        GLU  78 -10.489  -3.655  -0.786
  603    HA   GLU  78           HA       GLU  78  -7.844  -4.859  -0.779
  604   1HB   GLU  78          2HB       GLU  78  -8.776  -7.095  -1.245
  605   2HB   GLU  78          3HB       GLU  78  -9.097  -6.462   0.371
  606   1HG   GLU  78          2HG       GLU  78 -11.428  -5.829  -0.413
  607   2HG   GLU  78          3HG       GLU  78 -11.102  -6.806  -1.860
  608    H    LEU  79           H        LEU  79  -7.361  -5.810  -3.016
  609    HA   LEU  79           HA       LEU  79  -8.244  -3.868  -4.955
  610   1HB   LEU  79          2HB       LEU  79  -6.524  -6.372  -4.923
  611   2HB   LEU  79          3HB       LEU  79  -7.112  -5.747  -6.456
  612    HG   LEU  79           HG       LEU  79  -4.968  -4.938  -6.218
  613   1HD1  LEU  79          1HD       LEU  79  -5.296  -2.641  -6.613
  614   2HD1  LEU  79          2HD       LEU  79  -6.847  -3.399  -7.015
  615   3HD1  LEU  79          3HD       LEU  79  -6.656  -2.553  -5.489
  616   1HD2  LEU  79          1HD       LEU  79  -4.343  -3.395  -4.247
  617   2HD2  LEU  79          2HD       LEU  79  -5.726  -4.118  -3.425
  618   3HD2  LEU  79          3HD       LEU  79  -4.407  -5.143  -3.971
  619    H    HIS  80           H        HIS  80  -9.297  -4.425  -6.923
  620    HA   HIS  80           HA       HIS  80 -11.741  -5.672  -6.567
  621   1HB   HIS  80          2HB       HIS  80 -10.279  -4.410  -8.712
  622   2HB   HIS  80          3HB       HIS  80 -10.929  -5.910  -9.344
  623    HD1  HIS  80           HD1      HIS  80 -12.975  -5.075 -10.715
  624    HD2  HIS  80           HD2      HIS  80 -12.777  -3.631  -6.757
  625    HE1  HIS  80           HE1      HIS  80 -15.216  -3.933 -10.220
  626    HA   PRO  81           HA       PRO  81 -11.277  -9.889  -6.919
  627   1HB   PRO  81          2HB       PRO  81 -13.386 -10.817  -8.472
  628   2HB   PRO  81          3HB       PRO  81 -13.550 -10.171  -6.811
  629   1HG   PRO  81          2HG       PRO  81 -14.124  -8.800  -9.423
  630   2HG   PRO  81          3HG       PRO  81 -14.979  -8.647  -7.857
  631   1HD   PRO  81          2HD       PRO  81 -13.075  -6.906  -8.889
  632   2HD   PRO  81          3HD       PRO  81 -13.522  -6.982  -7.155
  633    H    ASP  82           H        ASP  82 -11.241  -8.223 -10.033
  634    HA   ASP  82           HA       ASP  82 -10.230 -10.275 -11.675
  635   1HB   ASP  82          2HB       ASP  82  -9.789  -7.272 -11.534
  636   2HB   ASP  82          3HB       ASP  82  -9.024  -8.267 -12.781
  637    H    ASP  83           H        ASP  83  -8.682  -8.402  -9.097
  638    HA   ASP  83           HA       ASP  83  -5.956  -9.228  -9.746
  639   1HB   ASP  83          2HB       ASP  83  -6.516  -7.000  -8.880
  640   2HB   ASP  83          3HB       ASP  83  -7.165  -7.676  -7.419
  641    H    ARG  84           H        ARG  84  -8.345 -11.144  -8.815
  642    HA   ARG  84           HA       ARG  84  -7.183 -12.270  -6.375
  643   1HB   ARG  84          2HB       ARG  84  -9.642 -12.199  -6.927
  644   2HB   ARG  84          3HB       ARG  84  -9.342 -13.349  -8.244
  645   1HG   ARG  84          2HG       ARG  84  -8.358 -14.911  -6.407
  646   2HG   ARG  84          3HG       ARG  84  -9.055 -13.762  -5.249
  647   1HD   ARG  84          2HD       ARG  84 -11.162 -14.171  -7.001
  648   2HD   ARG  84          3HD       ARG  84 -10.383 -15.751  -7.044
  649    HE   ARG  84           HE       ARG  84 -11.904 -14.535  -4.918
  650   1HH1  ARG  84          2HH       ARG  84  -9.299 -16.845  -5.500
  651   2HH1  ARG  84          1HH       ARG  84  -9.508 -17.710  -4.019
  652   1HH2  ARG  84          2HH       ARG  84 -12.197 -15.646  -2.920
  653   2HH2  ARG  84          1HH       ARG  84 -11.211 -17.001  -2.510
  654    H    SER  85           H        SER  85  -7.381 -13.187  -9.847
  655    HA   SER  85           HA       SER  85  -5.011 -14.837  -9.609
  656   1HB   SER  85          2HB       SER  85  -7.288 -16.083  -8.635
  657   2HB   SER  85          3HB       SER  85  -7.272 -16.648 -10.303
  658    HG   SER  85           HG       SER  85  -5.144 -16.748  -8.415
  659    H    LYS  86           H        LYS  86  -5.797 -12.664 -11.327
  660    HA   LYS  86           HA       LYS  86  -5.490 -14.067 -13.875
  661   1HB   LYS  86          2HB       LYS  86  -8.058 -13.403 -12.997
  662   2HB   LYS  86          3HB       LYS  86  -7.684 -12.049 -14.032
  663   1HG   LYS  86          2HG       LYS  86  -7.856 -13.336 -15.923
  664   2HG   LYS  86          3HG       LYS  86  -6.901 -14.657 -15.241
  665   1HD   LYS  86          2HD       LYS  86  -8.804 -15.468 -13.952
  666   2HD   LYS  86          3HD       LYS  86  -9.823 -14.152 -14.572
  667   1HE   LYS  86          2HE       LYS  86  -8.411 -15.584 -16.719
  668   2HE   LYS  86          3HE       LYS  86  -9.367 -16.703 -15.740
  669   1HZ   LYS  86          1HZ       LYS  86 -11.306 -15.446 -16.185
  670   2HZ   LYS  86          2HZ       LYS  86 -10.465 -14.226 -16.905
  671   3HZ   LYS  86          3HZ       LYS  86 -10.568 -15.698 -17.633
  672    H    LEU  87           H        LEU  87  -3.480 -12.914 -12.901
  673    HA   LEU  87           HA       LEU  87  -3.351 -10.081 -13.840
  674   1HB   LEU  87          2HB       LEU  87  -1.809 -11.658 -11.746
  675   2HB   LEU  87          3HB       LEU  87  -1.291 -10.068 -12.291
  676    HG   LEU  87           HG       LEU  87  -4.146 -10.477 -11.338
  677   1HD1  LEU  87          1HD       LEU  87  -3.600 -10.154  -9.082
  678   2HD1  LEU  87          2HD       LEU  87  -2.499 -11.413  -9.630
  679   3HD1  LEU  87          3HD       LEU  87  -1.913  -9.743  -9.431
  680   1HD2  LEU  87          1HD       LEU  87  -4.245  -8.274 -11.761
  681   2HD2  LEU  87          2HD       LEU  87  -2.984  -7.978 -10.560
  682   3HD2  LEU  87          3HD       LEU  87  -2.541  -8.241 -12.249
  683    H    SER  88           H        SER  88  -1.022  -9.563 -14.667
  684    HA   SER  88           HA       SER  88   0.495 -11.801 -15.636
  685   1HB   SER  88          2HB       SER  88  -1.435 -11.455 -17.343
  686   2HB   SER  88          3HB       SER  88  -0.594  -9.952 -17.785
  687    HG   SER  88           HG       SER  88  -0.002 -11.952 -18.955
  688    H    LYS  89           H        LYS  89   2.279 -10.738 -17.176
  689    HA   LYS  89           HA       LYS  89   3.482  -8.581 -15.589
  690   1HB   LYS  89          2HB       LYS  89   4.818 -10.474 -16.583
  691   2HB   LYS  89          3HB       LYS  89   4.423  -9.846 -18.193
  692   1HG   LYS  89          2HG       LYS  89   5.433  -7.592 -17.300
  693   2HG   LYS  89          3HG       LYS  89   6.125  -8.580 -16.007
  694   1HD   LYS  89          2HD       LYS  89   7.307  -9.955 -17.686
  695   2HD   LYS  89          3HD       LYS  89   6.476  -9.075 -18.996
  696   1HE   LYS  89          2HE       LYS  89   7.460  -6.931 -18.026
  697   2HE   LYS  89          3HE       LYS  89   8.491  -7.951 -17.008
  698   1HZ   LYS  89          1HZ       LYS  89   8.401  -8.039 -19.958
  699   2HZ   LYS  89          2HZ       LYS  89   9.553  -7.261 -19.078
  700   3HZ   LYS  89          3HZ       LYS  89   9.427  -8.902 -18.998
  701    HA   PRO  90           HA       PRO  90   1.507  -5.636 -18.417
  702   1HB   PRO  90          2HB       PRO  90   2.304  -3.305 -17.158
  703   2HB   PRO  90          3HB       PRO  90   0.956  -4.336 -16.607
  704   1HG   PRO  90          2HG       PRO  90   3.747  -4.141 -15.510
  705   2HG   PRO  90          3HG       PRO  90   2.204  -4.422 -14.647
  706   1HD   PRO  90          2HD       PRO  90   4.073  -6.393 -15.388
  707   2HD   PRO  90          3HD       PRO  90   2.366  -6.697 -14.944
  708    H    MET  91           H        MET  91   2.524  -3.354 -19.389
  709    HA   MET  91           HA       MET  91   5.306  -3.859 -20.201
  710   1HB   MET  91          2HB       MET  91   3.052  -4.494 -21.829
  711   2HB   MET  91          3HB       MET  91   3.656  -2.955 -22.455
  712   1HG   MET  91          2HG       MET  91   5.415  -5.362 -21.864
  713   2HG   MET  91          3HG       MET  91   4.694  -5.063 -23.446
  714   1HE   MET  91          1HE       MET  91   7.812  -5.288 -22.119
  715   2HE   MET  91          2HE       MET  91   7.637  -5.398 -23.891
  716   3HE   MET  91          3HE       MET  91   8.743  -4.200 -23.172
  717    H    GLU  92           H        GLU  92   6.276  -1.919 -21.074
  718    HA   GLU  92           HA       GLU  92   4.899   0.620 -20.349
  719   1HB   GLU  92          2HB       GLU  92   6.943   1.453 -19.336
  720   2HB   GLU  92          3HB       GLU  92   6.399  -0.018 -18.526
  721   1HG   GLU  92          2HG       GLU  92   8.090  -1.282 -20.030
  722   2HG   GLU  92          3HG       GLU  92   8.756   0.307 -20.423
  723    H    THR  93           H        THR  93   7.715  -0.807 -22.037
  724    HA   THR  93           HA       THR  93   8.859  -0.247 -23.827
  725    HB   THR  93           HB       THR  93   6.852  -1.299 -24.779
  726    HG1  THR  93          1HG       THR  93   8.529  -0.953 -26.110
  727   1HG2  THR  93          1HG       THR  93   5.364   0.143 -26.224
  728   2HG2  THR  93          2HG       THR  93   5.049   0.219 -24.485
  729   3HG2  THR  93          3HG       THR  93   5.914   1.545 -25.287
  730    H    LEU  94           H        LEU  94   8.179   1.785 -25.906
  731    HA   LEU  94           HA       LEU  94   9.366   4.104 -24.480
  732   1HB   LEU  94          2HB       LEU  94  10.554   3.068 -26.469
  733   2HB   LEU  94          3HB       LEU  94   9.164   3.507 -27.475
  734    HG   LEU  94           HG       LEU  94  10.371   5.705 -25.817
  735   1HD1  LEU  94          1HD       LEU  94  11.777   4.397 -28.176
  736   2HD1  LEU  94          2HD       LEU  94  12.147   6.037 -27.591
  737   3HD1  LEU  94          3HD       LEU  94  12.399   4.641 -26.527
  738   1HD2  LEU  94          1HD       LEU  94   9.912   7.060 -27.765
  739   2HD2  LEU  94          2HD       LEU  94   9.615   5.623 -28.775
  740   3HD2  LEU  94          3HD       LEU  94   8.482   6.065 -27.481
  741    HHA  HEM  95          MHG       HEM  95  11.769  -0.538   8.743
  742    HHB  HEM  95          MHD       HEM  95   5.390  -0.224   9.316
  743    HHC  HEM  95          MHA       HEM  95   4.778  -0.985   2.962
  744    HHD  HEM  95          MHB       HEM  95  11.157  -0.338   2.289
  745   1HMA  HEM  95          1HM       HEM  95   7.887  -0.139  12.252
  746   2HMA  HEM  95          2HM       HEM  95   6.530   0.543  11.355
  747   3HMA  HEM  95          3HM       HEM  95   6.659  -1.212  11.571
  748   1HAA  HEM  95          1HP       HEM  95  10.976  -1.658  10.752
  749   2HAA  HEM  95          2HP       HEM  95   9.893  -1.091  12.005
  750   1HBA  HEM  95          3HP       HEM  95  10.839   1.010  12.122
  751   2HBA  HEM  95          4HP       HEM  95  11.313   1.017  10.421
  752   1HMB  HEM  95          1HM       HEM  95   3.157   0.701   8.252
  753   2HMB  HEM  95          2HM       HEM  95   2.090  -0.506   7.496
  754   3HMB  HEM  95          3HM       HEM  95   3.243  -0.988   8.749
  755    HAB  HEM  95          AHT       HEM  95   2.674  -0.637   3.793
  756   1HBB  HEM  95          CHV       HEM  95   1.834  -2.334   6.175
  757   2HBB  HEM  95          THV       HEM  95   0.835  -1.873   4.666
  758   1HMC  HEM  95          1HM       HEM  95   5.282  -1.549   0.965
  759   2HMC  HEM  95          2HM       HEM  95   6.001  -0.302  -0.051
  760   3HMC  HEM  95          3HM       HEM  95   6.666  -1.958  -0.037
  761    HAC  HEM  95          AHT       HEM  95  10.368  -0.976   0.305
  762   1HBC  HEM  95          THV       HEM  95   9.582  -0.047  -1.736
  763   2HBC  HEM  95          CHV       HEM  95   7.884   0.183  -1.040
  764   1HMD  HEM  95          1HM       HEM  95  14.288  -0.883   3.856
  765   2HMD  HEM  95          2HM       HEM  95  13.207  -0.092   2.707
  766   3HMD  HEM  95          3HM       HEM  95  14.048   0.882   3.887
  767   1HAD  HEM  95          1HP       HEM  95  14.565  -0.985   6.487
  768   2HAD  HEM  95          2HP       HEM  95  13.719  -0.444   7.924
  769   1HBD  HEM  95          3HP       HEM  95  13.868   1.909   7.100
  770   2HBD  HEM  95          4HP       HEM  95  14.912   1.350   5.784
  Start of MODEL   39
    1   1H    ASP   1           H1       ASP   1 -19.061  -8.320  10.629
    2   2H    ASP   1           H2       ASP   1 -18.965  -6.908  10.922
    3   3H    ASP   1           H3       ASP   1 -20.249  -8.125  11.316
    4    HA   ASP   1           HA       ASP   1 -20.400  -6.398   9.106
    5   1HB   ASP   1          2HB       ASP   1 -22.279  -7.676   8.868
    6   2HB   ASP   1          3HB       ASP   1 -21.237  -8.874   8.110
    7    H    LYS   2           H        LYS   2 -19.839  -7.463   6.835
    8    HA   LYS   2           HA       LYS   2 -16.965  -8.024   7.077
    9   1HB   LYS   2          2HB       LYS   2 -18.912 -10.219   6.739
   10   2HB   LYS   2          3HB       LYS   2 -17.730 -10.153   5.425
   11   1HG   LYS   2          2HG       LYS   2 -15.896 -10.004   7.172
   12   2HG   LYS   2          3HG       LYS   2 -17.114 -10.351   8.407
   13   1HD   LYS   2          2HD       LYS   2 -17.684 -12.471   7.348
   14   2HD   LYS   2          3HD       LYS   2 -16.558 -12.132   6.020
   15   1HE   LYS   2          2HE       LYS   2 -15.300 -13.532   7.443
   16   2HE   LYS   2          3HE       LYS   2 -14.734 -11.905   7.846
   17   1HZ   LYS   2          1HZ       LYS   2 -16.477 -11.989   9.651
   18   2HZ   LYS   2          2HZ       LYS   2 -16.595 -13.604   9.363
   19   3HZ   LYS   2          3HZ       LYS   2 -15.165 -12.964   9.870
   20    H    ASP   3           H        ASP   3 -17.182  -5.878   6.126
   21    HA   ASP   3           HA       ASP   3 -17.441  -6.166   3.219
   22   1HB   ASP   3          2HB       ASP   3 -18.720  -4.177   2.994
   23   2HB   ASP   3          3HB       ASP   3 -19.587  -5.195   4.150
   24    H    VAL   4           H        VAL   4 -16.134  -4.617   2.045
   25    HA   VAL   4           HA       VAL   4 -14.253  -3.104   3.744
   26    HB   VAL   4           HB       VAL   4 -13.403  -4.548   1.222
   27   1HG1  VAL   4          1HG       VAL   4 -11.626  -4.071   3.585
   28   2HG1  VAL   4          2HG       VAL   4 -11.281  -3.966   1.853
   29   3HG1  VAL   4          3HG       VAL   4 -12.127  -2.638   2.702
   30   1HG2  VAL   4          1HG       VAL   4 -13.890  -6.471   2.259
   31   2HG2  VAL   4          2HG       VAL   4 -12.373  -6.171   3.094
   32   3HG2  VAL   4          3HG       VAL   4 -13.891  -5.775   3.895
   33    H    LYS   5           H        LYS   5 -13.096  -2.703   0.874
   34    HA   LYS   5           HA       LYS   5 -15.029  -0.601   0.063
   35   1HB   LYS   5          2HB       LYS   5 -12.389  -0.253   1.041
   36   2HB   LYS   5          3HB       LYS   5 -12.336   0.125  -0.688
   37   1HG   LYS   5          2HG       LYS   5 -12.919   2.185   0.276
   38   2HG   LYS   5          3HG       LYS   5 -14.487   1.540  -0.226
   39   1HD   LYS   5          2HD       LYS   5 -15.067   0.910   2.000
   40   2HD   LYS   5          3HD       LYS   5 -13.391   1.031   2.570
   41   1HE   LYS   5          2HE       LYS   5 -13.400   3.451   2.325
   42   2HE   LYS   5          3HE       LYS   5 -15.003   3.414   1.579
   43   1HZ   LYS   5          1HZ       LYS   5 -14.337   3.409   4.317
   44   2HZ   LYS   5          2HZ       LYS   5 -15.818   3.576   3.612
   45   3HZ   LYS   5          3HZ       LYS   5 -15.241   2.079   3.966
   46    H    TYR   6           H        TYR   6 -12.536  -2.924  -0.963
   47    HA   TYR   6           HA       TYR   6 -12.108  -3.866  -2.927
   48   1HB   TYR   6          2HB       TYR   6 -15.071  -3.381  -3.232
   49   2HB   TYR   6          3HB       TYR   6 -14.117  -4.531  -4.145
   50    HD1  TYR   6           HD1      TYR   6 -16.298  -4.164  -1.428
   51    HD2  TYR   6           HD2      TYR   6 -12.728  -6.249  -2.617
   52    HE1  TYR   6           HE1      TYR   6 -16.745  -5.911   0.303
   53    HE2  TYR   6           HE2      TYR   6 -13.176  -7.997  -0.870
   54    HH   TYR   6           HH       TYR   6 -15.520  -7.598   1.603
   55    H    TYR   7           H        TYR   7 -10.731  -2.503  -4.193
   56    HA   TYR   7           HA       TYR   7 -12.146  -0.515  -5.848
   57   1HB   TYR   7          2HB       TYR   7  -9.511  -0.664  -4.358
   58   2HB   TYR   7          3HB       TYR   7  -9.563   0.211  -5.816
   59    HD1  TYR   7           HD1      TYR   7  -9.684   0.661  -2.449
   60    HD2  TYR   7           HD2      TYR   7 -11.967   1.741  -5.918
   61    HE1  TYR   7           HE1      TYR   7 -10.659   2.631  -1.224
   62    HE2  TYR   7           HE2      TYR   7 -12.844   3.752  -4.731
   63    HH   TYR   7           HH       TYR   7 -11.796   5.200  -2.541
   64    H    THR   8           H        THR   8 -11.213  -0.171  -7.968
   65    HA   THR   8           HA       THR   8 -10.359  -2.737  -9.145
   66    HB   THR   8           HB       THR   8 -10.855  -1.252 -11.270
   67    HG1  THR   8          1HG       THR   8 -12.156   0.552 -10.752
   68   1HG2  THR   8          1HG       THR   8 -12.981  -2.139 -11.284
   69   2HG2  THR   8          2HG       THR   8 -12.378  -2.933  -9.837
   70   3HG2  THR   8          3HG       THR   8 -13.364  -1.455  -9.682
   71    H    LEU   9           H        LEU   9  -8.575  -2.918 -10.496
   72    HA   LEU   9           HA       LEU   9  -6.208  -1.815  -9.610
   73   1HB   LEU   9          2HB       LEU   9  -6.899  -2.710 -12.414
   74   2HB   LEU   9          3HB       LEU   9  -5.271  -2.324 -11.884
   75    HG   LEU   9           HG       LEU   9  -5.180  -4.560 -11.570
   76   1HD1  LEU   9          1HD       LEU   9  -5.481  -5.185  -9.231
   77   2HD1  LEU   9          2HD       LEU   9  -4.790  -3.558  -9.348
   78   3HD1  LEU   9          3HD       LEU   9  -6.514  -3.783  -8.937
   79   1HD2  LEU   9          1HD       LEU   9  -7.938  -4.505 -11.991
   80   2HD2  LEU   9          2HD       LEU   9  -6.928  -5.934 -11.777
   81   3HD2  LEU   9          3HD       LEU   9  -7.770  -5.204 -10.384
   82    H    GLU  10           H        GLU  10  -7.886  -0.660 -12.547
   83    HA   GLU  10           HA       GLU  10  -6.360   1.554 -13.100
   84   1HB   GLU  10          2HB       GLU  10  -9.255   0.870 -13.403
   85   2HB   GLU  10          3HB       GLU  10  -8.865   2.585 -13.552
   86   1HG   GLU  10          2HG       GLU  10  -7.436   2.274 -15.387
   87   2HG   GLU  10          3HG       GLU  10  -7.197   0.556 -15.049
   88    H    GLU  11           H        GLU  11  -8.890   1.313 -10.590
   89    HA   GLU  11           HA       GLU  11  -8.840   4.017  -9.832
   90   1HB   GLU  11          2HB       GLU  11 -10.575   2.291  -9.128
   91   2HB   GLU  11          3HB       GLU  11  -9.394   1.655  -7.969
   92   1HG   GLU  11          2HG       GLU  11 -10.916   3.211  -6.920
   93   2HG   GLU  11          3HG       GLU  11  -9.251   3.665  -6.781
   94    H    ILE  12           H        ILE  12  -7.032   1.159  -8.520
   95    HA   ILE  12           HA       ILE  12  -5.592   2.593  -6.577
   96    HB   ILE  12           HB       ILE  12  -4.923   0.118  -8.184
   97   1HG1  ILE  12          2HG       ILE  12  -5.396  -0.234  -5.380
   98   2HG1  ILE  12          3HG       ILE  12  -6.717   0.685  -6.004
   99   1HG2  ILE  12          1HG       ILE  12  -3.360   1.539  -6.066
  100   2HG2  ILE  12          2HG       ILE  12  -3.347  -0.233  -6.082
  101   3HG2  ILE  12          3HG       ILE  12  -2.812   0.645  -7.514
  102   1HD1  ILE  12          1HD       ILE  12  -5.817  -1.722  -7.589
  103   2HD1  ILE  12          2HD       ILE  12  -6.684  -2.025  -6.086
  104   3HD1  ILE  12          3HD       ILE  12  -7.452  -1.071  -7.324
  105    H    LYS  13           H        LYS  13  -5.026   2.130 -10.038
  106    HA   LYS  13           HA       LYS  13  -2.412   3.421  -9.997
  107   1HB   LYS  13          2HB       LYS  13  -4.278   3.042 -12.400
  108   2HB   LYS  13          3HB       LYS  13  -2.527   3.242 -12.419
  109   1HG   LYS  13          2HG       LYS  13  -4.039   0.853 -11.294
  110   2HG   LYS  13          3HG       LYS  13  -3.141   0.857 -12.777
  111   1HD   LYS  13          2HD       LYS  13  -1.986   1.438 -10.032
  112   2HD   LYS  13          3HD       LYS  13  -1.987  -0.157 -10.717
  113   1HE   LYS  13          2HE       LYS  13  -0.832   2.148 -12.327
  114   2HE   LYS  13          3HE       LYS  13   0.127   1.408 -11.042
  115   1HZ   LYS  13          1HZ       LYS  13  -0.733  -0.739 -12.297
  116   2HZ   LYS  13          2HZ       LYS  13  -0.691   0.295 -13.578
  117   3HZ   LYS  13          3HZ       LYS  13   0.673   0.017 -12.684
  118    H    LYS  14           H        LYS  14  -5.499   4.556  -9.582
  119    HA   LYS  14           HA       LYS  14  -5.013   7.182 -10.742
  120   1HB   LYS  14          2HB       LYS  14  -7.353   5.662 -10.108
  121   2HB   LYS  14          3HB       LYS  14  -7.371   7.068  -9.035
  122   1HG   LYS  14          2HG       LYS  14  -6.910   8.465 -11.132
  123   2HG   LYS  14          3HG       LYS  14  -7.122   6.974 -12.075
  124   1HD   LYS  14          2HD       LYS  14  -9.415   6.746 -10.899
  125   2HD   LYS  14          3HD       LYS  14  -9.162   8.407 -10.337
  126   1HE   LYS  14          2HE       LYS  14  -8.804   9.066 -12.778
  127   2HE   LYS  14          3HE       LYS  14  -9.307   7.429 -13.229
  128   1HZ   LYS  14          1HZ       LYS  14 -10.969   9.202 -11.569
  129   2HZ   LYS  14          2HZ       LYS  14 -11.095   9.152 -13.213
  130   3HZ   LYS  14          3HZ       LYS  14 -11.423   7.809 -12.309
  131    H    HIS  15           H        HIS  15  -4.420   5.485  -7.752
  132    HA   HIS  15           HA       HIS  15  -3.881   8.086  -6.461
  133   1HB   HIS  15          2HB       HIS  15  -4.379   5.645  -4.848
  134   2HB   HIS  15          3HB       HIS  15  -4.675   7.305  -4.447
  135    HD1  HIS  15           HD1      HIS  15  -6.884   8.478  -5.408
  136    HD2  HIS  15           HD2      HIS  15  -6.488   4.353  -6.008
  137    HE1  HIS  15           HE1      HIS  15  -9.215   7.567  -6.068
  138    H    ASN  16           H        ASN  16  -1.805   8.336  -6.754
  139    HA   ASN  16           HA       ASN  16   0.038   6.559  -5.480
  140   1HB   ASN  16          2HB       ASN  16   1.464   6.168  -7.560
  141   2HB   ASN  16          3HB       ASN  16  -0.097   5.352  -7.590
  142   1HD2  ASN  16          1HD       ASN  16  -0.121   5.244  -9.819
  143   2HD2  ASN  16          2HD       ASN  16  -0.408   6.657 -10.825
  144    H    HIS  17           H        HIS  17  -0.731   9.345  -5.241
  145    HA   HIS  17           HA       HIS  17   1.822  10.645  -5.941
  146   1HB   HIS  17          2HB       HIS  17   0.448  12.755  -6.111
  147   2HB   HIS  17          3HB       HIS  17   0.233  11.590  -7.413
  148    HD1  HIS  17           HD1      HIS  17  -1.682  13.496  -4.847
  149    HD2  HIS  17           HD2      HIS  17  -2.248  10.130  -7.318
  150    HE1  HIS  17           HE1      HIS  17  -4.175  13.012  -4.864
  151    H    SER  18           H        SER  18   2.118  12.637  -4.524
  152    HA   SER  18           HA       SER  18   2.472  11.844  -1.895
  153   1HB   SER  18          2HB       SER  18   3.398  13.931  -3.062
  154   2HB   SER  18          3HB       SER  18   1.846  14.712  -2.723
  155    HG   SER  18           HG       SER  18   3.466  13.553  -0.690
  156    H    LYS  19           H        LYS  19  -0.375  13.245  -3.385
  157    HA   LYS  19           HA       LYS  19  -1.795  13.240  -0.791
  158   1HB   LYS  19          2HB       LYS  19  -2.034  14.843  -3.282
  159   2HB   LYS  19          3HB       LYS  19  -3.579  14.261  -2.707
  160   1HG   LYS  19          2HG       LYS  19  -3.538  16.054  -1.334
  161   2HG   LYS  19          3HG       LYS  19  -2.507  15.065  -0.316
  162   1HD   LYS  19          2HD       LYS  19  -0.607  16.065  -2.006
  163   2HD   LYS  19          3HD       LYS  19  -1.823  17.347  -2.117
  164   1HE   LYS  19          2HE       LYS  19  -1.704  16.846   0.626
  165   2HE   LYS  19          3HE       LYS  19  -0.038  16.541   0.128
  166   1HZ   LYS  19          1HZ       LYS  19  -1.347  18.996   0.431
  167   2HZ   LYS  19          2HZ       LYS  19   0.239  18.722   0.072
  168   3HZ   LYS  19          3HZ       LYS  19  -0.868  18.863  -1.134
  169    H    SER  20           H        SER  20  -1.034  10.781  -1.898
  170    HA   SER  20           HA       SER  20  -3.099   9.149  -1.480
  171   1HB   SER  20          2HB       SER  20  -3.496  10.494  -4.044
  172   2HB   SER  20          3HB       SER  20  -3.421   8.810  -4.286
  173    HG   SER  20           HG       SER  20  -5.080  10.206  -2.447
  174    H    THR  21           H        THR  21  -1.270   7.941  -0.801
  175    HA   THR  21           HA       THR  21   0.438   6.820  -2.964
  176    HB   THR  21           HB       THR  21   0.968   7.581  -0.096
  177    HG1  THR  21          1HG       THR  21   1.331   8.896  -2.071
  178   1HG2  THR  21          1HG       THR  21   1.996   5.185  -1.424
  179   2HG2  THR  21          2HG       THR  21   3.276   6.359  -1.230
  180   3HG2  THR  21          3HG       THR  21   2.351   5.816   0.192
  181    H    TRP  22           H        TRP  22  -1.334   5.399  -3.490
  182    HA   TRP  22           HA       TRP  22  -1.992   3.423  -1.393
  183   1HB   TRP  22          2HB       TRP  22  -2.920   3.922  -4.221
  184   2HB   TRP  22          3HB       TRP  22  -3.298   2.437  -3.396
  185    HD1  TRP  22           HD1      TRP  22  -3.314   5.324  -1.019
  186    HE1  TRP  22           HE1      TRP  22  -5.713   5.999  -0.415
  187    HE3  TRP  22           HE3      TRP  22  -5.690   2.601  -4.539
  188    HZ2  TRP  22           HZ2      TRP  22  -8.362   5.458  -1.453
  189    HZ3  TRP  22           HZ3      TRP  22  -8.177   2.700  -4.766
  190    HH2  TRP  22           HH2      TRP  22  -9.477   4.156  -3.268
  191    H    LEU  23           H        LEU  23  -1.846   1.048  -2.083
  192    HA   LEU  23           HA       LEU  23   0.148   0.324  -4.031
  193   1HB   LEU  23          2HB       LEU  23   1.831  -0.566  -2.368
  194   2HB   LEU  23          3HB       LEU  23   1.798   1.161  -2.608
  195    HG   LEU  23           HG       LEU  23   0.290   1.275  -0.479
  196   1HD1  LEU  23          1HD       LEU  23  -0.194  -1.084  -0.407
  197   2HD1  LEU  23          2HD       LEU  23   1.489  -1.449  -0.228
  198   3HD1  LEU  23          3HD       LEU  23   0.651  -0.564   1.073
  199   1HD2  LEU  23          1HD       LEU  23   2.861   0.405   0.556
  200   2HD2  LEU  23          2HD       LEU  23   3.078   1.395  -0.904
  201   3HD2  LEU  23          3HD       LEU  23   2.135   2.027   0.400
  202    H    ILE  24           H        ILE  24   0.463  -2.008  -4.036
  203    HA   ILE  24           HA       ILE  24  -1.872  -3.359  -2.802
  204    HB   ILE  24           HB       ILE  24  -0.318  -4.041  -5.362
  205   1HG1  ILE  24          2HG       ILE  24  -1.606  -2.125  -5.799
  206   2HG1  ILE  24          3HG       ILE  24  -2.537  -3.544  -6.365
  207   1HG2  ILE  24          1HG       ILE  24  -1.537  -5.904  -3.832
  208   2HG2  ILE  24          2HG       ILE  24  -2.940  -5.288  -4.670
  209   3HG2  ILE  24          3HG       ILE  24  -1.584  -5.930  -5.600
  210   1HD1  ILE  24          1HD       ILE  24  -3.643  -3.339  -3.951
  211   2HD1  ILE  24          2HD       ILE  24  -3.092  -1.664  -4.050
  212   3HD1  ILE  24          3HD       ILE  24  -4.207  -2.284  -5.249
  213    H    LEU  25           H        LEU  25  -0.816  -3.876  -0.883
  214    HA   LEU  25           HA       LEU  25   1.589  -5.603  -1.094
  215   1HB   LEU  25          2HB       LEU  25   0.562  -3.724   0.986
  216   2HB   LEU  25          3HB       LEU  25   1.468  -5.124   1.541
  217    HG   LEU  25           HG       LEU  25   2.497  -3.206  -0.571
  218   1HD1  LEU  25          1HD       LEU  25   3.197  -1.782   1.051
  219   2HD1  LEU  25          2HD       LEU  25   2.013  -2.552   2.094
  220   3HD1  LEU  25          3HD       LEU  25   3.703  -3.089   2.139
  221   1HD2  LEU  25          1HD       LEU  25   4.183  -4.915   1.196
  222   2HD2  LEU  25          2HD       LEU  25   3.358  -5.648  -0.155
  223   3HD2  LEU  25          3HD       LEU  25   4.474  -4.285  -0.427
  224    H    HIS  26           H        HIS  26   0.714  -7.504  -1.632
  225    HA   HIS  26           HA       HIS  26  -0.158  -9.583  -1.183
  226   1HB   HIS  26          2HB       HIS  26  -0.914  -8.596   1.617
  227   2HB   HIS  26          3HB       HIS  26  -0.785 -10.234   1.057
  228    HD1  HIS  26           HD1      HIS  26   1.657 -11.213   0.698
  229    HD2  HIS  26           HD2      HIS  26   1.465  -7.287   2.207
  230    HE1  HIS  26           HE1      HIS  26   3.993 -10.645   1.572
  231    H    HIS  27           H        HIS  27  -1.709  -8.754  -2.897
  232    HA   HIS  27           HA       HIS  27  -3.754  -8.145  -3.592
  233   1HB   HIS  27          2HB       HIS  27  -5.457  -9.943  -3.026
  234   2HB   HIS  27          3HB       HIS  27  -3.960 -10.485  -3.763
  235    HD1  HIS  27           HD1      HIS  27  -6.045 -10.868  -0.703
  236    HD2  HIS  27           HD2      HIS  27  -2.145 -11.788  -1.978
  237    HE1  HIS  27           HE1      HIS  27  -5.110 -12.609   0.953
  238    H    LYS  28           H        LYS  28  -3.300  -6.276  -1.867
  239    HA   LYS  28           HA       LYS  28  -5.878  -5.866  -0.570
  240   1HB   LYS  28          2HB       LYS  28  -3.253  -6.142   0.942
  241   2HB   LYS  28          3HB       LYS  28  -4.495  -5.049   1.533
  242   1HG   LYS  28          2HG       LYS  28  -4.893  -8.043   1.044
  243   2HG   LYS  28          3HG       LYS  28  -4.719  -7.263   2.586
  244   1HD   LYS  28          2HD       LYS  28  -6.778  -5.780   1.560
  245   2HD   LYS  28          3HD       LYS  28  -7.018  -7.286   0.662
  246   1HE   LYS  28          2HE       LYS  28  -6.495  -7.931   3.419
  247   2HE   LYS  28          3HE       LYS  28  -7.732  -6.667   3.363
  248   1HZ   LYS  28          1HZ       LYS  28  -8.782  -8.782   3.214
  249   2HZ   LYS  28          2HZ       LYS  28  -8.955  -8.066   1.755
  250   3HZ   LYS  28          3HZ       LYS  28  -7.824  -9.256   1.958
  251    H    VAL  29           H        VAL  29  -6.237  -3.576  -0.006
  252    HA   VAL  29           HA       VAL  29  -4.475  -1.844  -1.680
  253    HB   VAL  29           HB       VAL  29  -7.347  -2.082  -1.256
  254   1HG1  VAL  29          1HG       VAL  29  -5.948   0.507  -1.359
  255   2HG1  VAL  29          2HG       VAL  29  -7.403   0.348  -2.361
  256   3HG1  VAL  29          3HG       VAL  29  -7.492  -0.006  -0.618
  257   1HG2  VAL  29          1HG       VAL  29  -6.219  -2.917  -3.270
  258   2HG2  VAL  29          2HG       VAL  29  -7.579  -1.808  -3.571
  259   3HG2  VAL  29          3HG       VAL  29  -5.903  -1.217  -3.659
  260    H    TYR  30           H        TYR  30  -3.027  -1.049  -0.219
  261    HA   TYR  30           HA       TYR  30  -4.089  -0.017   2.354
  262   1HB   TYR  30          2HB       TYR  30  -1.435  -0.832   1.215
  263   2HB   TYR  30          3HB       TYR  30  -1.540   0.035   2.706
  264    HD1  TYR  30           HD1      TYR  30  -3.148  -1.038   4.467
  265    HD2  TYR  30           HD2      TYR  30  -1.366  -3.163   1.259
  266    HE1  TYR  30           HE1      TYR  30  -3.524  -3.243   5.675
  267    HE2  TYR  30           HE2      TYR  30  -1.629  -5.311   2.558
  268    HH   TYR  30           HH       TYR  30  -1.881  -6.059   4.916
  269    H    ASP  31           H        ASP  31  -3.408   2.067   3.072
  270    HA   ASP  31           HA       ASP  31  -2.484   3.878   0.907
  271   1HB   ASP  31          2HB       ASP  31  -4.933   4.060   1.336
  272   2HB   ASP  31          3HB       ASP  31  -4.572   4.529   3.020
  273    H    LEU  32           H        LEU  32  -0.602   4.696   1.506
  274    HA   LEU  32           HA       LEU  32  -0.184   5.249   4.413
  275   1HB   LEU  32          2HB       LEU  32   2.260   4.878   2.861
  276   2HB   LEU  32          3HB       LEU  32   1.759   4.209   4.416
  277    HG   LEU  32           HG       LEU  32   0.990   3.119   1.743
  278   1HD1  LEU  32          1HD       LEU  32   3.031   2.267   3.829
  279   2HD1  LEU  32          2HD       LEU  32   2.429   1.173   2.576
  280   3HD1  LEU  32          3HD       LEU  32   3.287   2.648   2.114
  281   1HD2  LEU  32          1HD       LEU  32  -0.286   2.792   4.242
  282   2HD2  LEU  32          2HD       LEU  32  -0.525   1.878   2.742
  283   3HD2  LEU  32          3HD       LEU  32   0.617   1.302   3.975
  284    H    THR  33           H        THR  33  -1.446   6.927   2.537
  285    HA   THR  33           HA       THR  33   0.496   8.949   1.679
  286    HB   THR  33           HB       THR  33  -2.308   8.430   1.313
  287    HG1  THR  33          1HG       THR  33  -0.422  10.315   0.258
  288   1HG2  THR  33          1HG       THR  33  -3.223  10.598   1.214
  289   2HG2  THR  33          2HG       THR  33  -2.600  10.419   2.863
  290   3HG2  THR  33          3HG       THR  33  -1.651  11.330   1.649
  291    H    LYS  34           H        LYS  34  -1.063   8.221   4.636
  292    HA   LYS  34           HA       LYS  34  -0.209  10.880   5.662
  293   1HB   LYS  34          2HB       LYS  34  -2.751   9.876   5.716
  294   2HB   LYS  34          3HB       LYS  34  -2.149   9.228   7.236
  295   1HG   LYS  34          2HG       LYS  34  -1.509  12.125   6.656
  296   2HG   LYS  34          3HG       LYS  34  -3.205  11.733   6.900
  297   1HD   LYS  34          2HD       LYS  34  -2.411  10.456   9.039
  298   2HD   LYS  34          3HD       LYS  34  -0.895  11.338   8.845
  299   1HE   LYS  34          2HE       LYS  34  -3.536  12.827   8.781
  300   2HE   LYS  34          3HE       LYS  34  -2.867  12.296  10.328
  301   1HZ   LYS  34          1HZ       LYS  34  -1.682  14.170   8.409
  302   2HZ   LYS  34          2HZ       LYS  34  -1.987  14.391  10.017
  303   3HZ   LYS  34          3HZ       LYS  34  -0.756  13.410   9.537
  304    H    PHE  35           H        PHE  35   0.750   7.754   5.411
  305    HA   PHE  35           HA       PHE  35   1.881   7.636   8.120
  306   1HB   PHE  35          2HB       PHE  35   0.642   5.695   7.314
  307   2HB   PHE  35          3HB       PHE  35   1.572   5.676   5.847
  308    HD1  PHE  35          1HD       PHE  35   2.169   5.483   9.514
  309    HD2  PHE  35          2HD       PHE  35   3.342   4.116   5.649
  310    HE1  PHE  35          1HE       PHE  35   3.866   4.011  10.564
  311    HE2  PHE  35          2HE       PHE  35   4.801   2.505   6.554
  312    HZ   PHE  35           HZ       PHE  35   5.307   2.554   9.127
  313    H    LEU  36           H        LEU  36   2.582   8.442   4.873
  314    HA   LEU  36           HA       LEU  36   5.224   7.655   4.471
  315   1HB   LEU  36          2HB       LEU  36   3.488   9.798   3.514
  316   2HB   LEU  36          3HB       LEU  36   5.210  10.199   3.486
  317    HG   LEU  36           HG       LEU  36   5.699   8.669   1.849
  318   1HD1  LEU  36          1HD       LEU  36   5.396   6.633   2.537
  319   2HD1  LEU  36          2HD       LEU  36   3.817   6.892   3.244
  320   3HD1  LEU  36          3HD       LEU  36   3.907   6.699   1.519
  321   1HD2  LEU  36          1HD       LEU  36   4.301   8.923   0.155
  322   2HD2  LEU  36          2HD       LEU  36   2.861   8.625   1.156
  323   3HD2  LEU  36          3HD       LEU  36   3.699  10.201   1.257
  324    H    GLU  37           H        GLU  37   3.990  10.174   6.581
  325    HA   GLU  37           HA       GLU  37   6.749  10.852   7.367
  326   1HB   GLU  37          2HB       GLU  37   4.031  12.157   7.768
  327   2HB   GLU  37          3HB       GLU  37   5.384  12.613   8.813
  328   1HG   GLU  37          2HG       GLU  37   6.770  13.195   6.891
  329   2HG   GLU  37          3HG       GLU  37   5.487  12.705   5.776
  330    H    GLU  38           H        GLU  38   5.245   8.389   8.044
  331    HA   GLU  38           HA       GLU  38   5.474   8.480  10.996
  332   1HB   GLU  38          2HB       GLU  38   3.453   7.203   9.269
  333   2HB   GLU  38          3HB       GLU  38   3.978   6.317  10.712
  334   1HG   GLU  38          2HG       GLU  38   3.444   8.350  12.050
  335   2HG   GLU  38          3HG       GLU  38   2.753   9.078  10.583
  336    H    HIS  39           HN       HIS  39   6.179   6.681   8.033
  337    HA   HIS  39           HA       HIS  39   7.119   4.395   9.030
  338   1HB   HIS  39          2HB       HIS  39   7.215   5.706   6.575
  339   2HB   HIS  39          3HB       HIS  39   8.851   5.649   7.021
  340    HD1  HIS  39           HND      HIS  39   9.246   4.041   4.946
  341    HD2  HIS  39           HD       HIS  39   6.967   2.364   7.979
  342    HE1  HIS  39           HE       HIS  39   9.146   1.658   4.434
  343    HA   PRO  40           HA       PRO  40  10.646   5.220  11.444
  344   1HB   PRO  40          2HB       PRO  40  12.431   3.167  10.759
  345   2HB   PRO  40          3HB       PRO  40  11.005   2.988  11.823
  346   1HG   PRO  40          2HG       PRO  40  11.348   2.055   9.031
  347   2HG   PRO  40          3HG       PRO  40  10.172   1.584  10.292
  348   1HD   PRO  40          2HD       PRO  40   9.777   3.253   8.083
  349   2HD   PRO  40          3HD       PRO  40   8.597   2.811   9.375
  350    H    GLY  41           H        GLY  41  11.215   4.893   8.037
  351   1HA   GLY  41          2HA       GLY  41  12.755   7.239   7.803
  352   2HA   GLY  41          3HA       GLY  41  13.889   5.882   7.932
  353    H    GLY  42           H        GLY  42  10.580   5.219   6.399
  354   1HA   GLY  42          2HA       GLY  42  11.869   5.842   3.765
  355   2HA   GLY  42          3HA       GLY  42  10.988   4.397   4.167
  356    H    GLU  43           H        GLU  43  10.712   7.383   2.831
  357    HA   GLU  43           HA       GLU  43   7.713   7.293   3.146
  358   1HB   GLU  43          2HB       GLU  43   7.634   9.590   2.970
  359   2HB   GLU  43          3HB       GLU  43   8.850   9.241   4.194
  360   1HG   GLU  43          2HG       GLU  43  10.625   9.563   2.432
  361   2HG   GLU  43          3HG       GLU  43   9.362  10.061   1.292
  362    H    GLU  44           H        GLU  44  10.502   7.869   0.965
  363    HA   GLU  44           HA       GLU  44   8.860   8.270  -1.352
  364   1HB   GLU  44          2HB       GLU  44  11.091   9.217  -1.247
  365   2HB   GLU  44          3HB       GLU  44  11.818   7.609  -1.035
  366   1HG   GLU  44          2HG       GLU  44  10.899   6.958  -3.310
  367   2HG   GLU  44          3HG       GLU  44  10.300   8.609  -3.498
  368    H    VAL  45           H        VAL  45  10.570   5.512   0.137
  369    HA   VAL  45           HA       VAL  45  10.347   3.667  -1.949
  370    HB   VAL  45           HB       VAL  45  10.135   2.017  -0.019
  371   1HG1  VAL  45          1HG       VAL  45  12.496   3.917   0.066
  372   2HG1  VAL  45          2HG       VAL  45  12.477   2.185   0.484
  373   3HG1  VAL  45          3HG       VAL  45  12.244   2.694  -1.196
  374   1HG2  VAL  45          1HG       VAL  45  10.408   2.720   2.208
  375   2HG2  VAL  45          2HG       VAL  45  10.870   4.369   1.731
  376   3HG2  VAL  45          3HG       VAL  45   9.200   3.830   1.577
  377    H    LEU  46           H        LEU  46   7.917   4.782   0.372
  378    HA   LEU  46           HA       LEU  46   5.935   2.806  -0.323
  379   1HB   LEU  46          2HB       LEU  46   5.428   5.552   0.727
  380   2HB   LEU  46          3HB       LEU  46   4.438   4.111   0.946
  381    HG   LEU  46           HG       LEU  46   6.966   4.940   2.375
  382   1HD1  LEU  46          1HD       LEU  46   5.502   4.834   4.081
  383   2HD1  LEU  46          2HD       LEU  46   4.277   4.221   3.055
  384   3HD1  LEU  46          3HD       LEU  46   5.265   2.900   3.781
  385   1HD2  LEU  46          1HD       LEU  46   7.503   2.784   3.104
  386   2HD2  LEU  46          2HD       LEU  46   6.096   2.018   2.290
  387   3HD2  LEU  46          3HD       LEU  46   7.405   2.593   1.367
  388    H    ARG  47           H        ARG  47   7.074   5.733  -1.753
  389    HA   ARG  47           HA       ARG  47   4.794   5.974  -3.542
  390   1HB   ARG  47          2HB       ARG  47   7.383   7.579  -3.400
  391   2HB   ARG  47          3HB       ARG  47   6.064   7.862  -4.515
  392   1HG   ARG  47          2HG       ARG  47   4.806   7.725  -1.991
  393   2HG   ARG  47          3HG       ARG  47   6.316   8.557  -1.652
  394   1HD   ARG  47          2HD       ARG  47   5.017   9.570  -4.116
  395   2HD   ARG  47          3HD       ARG  47   3.947   9.652  -2.736
  396    HE   ARG  47           HE       ARG  47   5.284  11.266  -1.774
  397   1HH1  ARG  47          2HH       ARG  47   7.075   9.711  -4.390
  398   2HH1  ARG  47          1HH       ARG  47   8.397  10.819  -4.367
  399   1HH2  ARG  47          2HH       ARG  47   7.051  12.783  -1.726
  400   2HH2  ARG  47          1HH       ARG  47   8.370  12.603  -2.823
  401    H    GLU  48           H        GLU  48   8.085   4.716  -3.530
  402    HA   GLU  48           HA       GLU  48   8.506   4.658  -6.323
  403   1HB   GLU  48          2HB       GLU  48   9.846   3.722  -3.917
  404   2HB   GLU  48          3HB       GLU  48   9.805   2.413  -5.085
  405   1HG   GLU  48          2HG       GLU  48  10.564   4.298  -6.789
  406   2HG   GLU  48          3HG       GLU  48  11.064   5.151  -5.324
  407    H    GLN  49           H        GLN  49   6.406   2.912  -4.251
  408    HA   GLN  49           HA       GLN  49   5.826   1.019  -6.475
  409   1HB   GLN  49          2HB       GLN  49   5.610   0.602  -3.475
  410   2HB   GLN  49          3HB       GLN  49   5.100  -0.571  -4.713
  411   1HG   GLN  49          2HG       GLN  49   7.955   0.498  -4.523
  412   2HG   GLN  49          3HG       GLN  49   7.446  -0.944  -3.702
  413   1HE2  GLN  49          1HE       GLN  49   9.394  -1.352  -5.325
  414   2HE2  GLN  49          2HE       GLN  49   8.876  -2.166  -6.813
  415    H    ALA  50           H        ALA  50   4.758   3.735  -5.015
  416    HA   ALA  50           HA       ALA  50   2.244   3.504  -4.152
  417   1HB   ALA  50          1HB       ALA  50   2.990   5.694  -4.261
  418   2HB   ALA  50          2HB       ALA  50   3.553   5.526  -5.963
  419   3HB   ALA  50          3HB       ALA  50   1.852   5.656  -5.558
  420    H    GLY  51           H        GLY  51   0.165   3.297  -5.085
  421   1HA   GLY  51          2HA       GLY  51  -1.334   2.168  -6.391
  422   2HA   GLY  51          3HA       GLY  51  -0.777   3.292  -7.641
  423    H    GLY  52           H        GLY  52   1.240   0.756  -6.074
  424   1HA   GLY  52          2HA       GLY  52   1.126  -0.934  -8.478
  425   2HA   GLY  52          3HA       GLY  52   2.665  -0.144  -8.034
  426    H    ASP  53           H        ASP  53   3.085  -2.638  -7.998
  427    HA   ASP  53           HA       ASP  53   2.168  -3.940  -5.517
  428   1HB   ASP  53          2HB       ASP  53   3.106  -4.818  -8.121
  429   2HB   ASP  53          3HB       ASP  53   4.183  -5.474  -6.894
  430    H    ALA  54           H        ALA  54   3.262  -3.418  -3.708
  431    HA   ALA  54           HA       ALA  54   6.186  -2.843  -3.954
  432   1HB   ALA  54          1HB       ALA  54   5.910  -1.250  -2.317
  433   2HB   ALA  54          2HB       ALA  54   4.191  -1.317  -2.713
  434   3HB   ALA  54          3HB       ALA  54   4.815  -2.201  -1.355
  435    H    THR  55           H        THR  55   4.147  -5.402  -3.372
  436    HA   THR  55           HA       THR  55   4.913  -6.565  -0.995
  437    HB   THR  55           HB       THR  55   4.253  -7.716  -3.735
  438    HG1  THR  55          1HG       THR  55   2.668  -6.424  -2.611
  439   1HG2  THR  55          1HG       THR  55   5.378  -9.213  -1.704
  440   2HG2  THR  55          2HG       THR  55   3.662  -9.283  -1.302
  441   3HG2  THR  55          3HG       THR  55   4.231  -9.825  -2.903
  442    H    GLU  56           H        GLU  56   6.533  -6.888  -4.188
  443    HA   GLU  56           HA       GLU  56   8.579  -8.574  -3.472
  444   1HB   GLU  56          2HB       GLU  56   9.968  -7.412  -5.166
  445   2HB   GLU  56          3HB       GLU  56   8.316  -7.701  -5.737
  446   1HG   GLU  56          2HG       GLU  56   7.867  -5.243  -4.809
  447   2HG   GLU  56          3HG       GLU  56   9.622  -5.086  -4.899
  448    H    ASN  57           H        ASN  57   8.455  -5.046  -2.917
  449    HA   ASN  57           HA       ASN  57  11.039  -4.825  -1.717
  450   1HB   ASN  57          2HB       ASN  57   8.564  -3.128  -1.862
  451   2HB   ASN  57          3HB       ASN  57   9.556  -2.894  -0.436
  452   1HD2  ASN  57          1HD       ASN  57   9.584  -3.002  -3.964
  453   2HD2  ASN  57          2HD       ASN  57  10.977  -1.916  -4.144
  454    H    PHE  58           H        PHE  58   7.809  -4.714  -0.309
  455    HA   PHE  58           HA       PHE  58   8.422  -4.916   2.447
  456   1HB   PHE  58          2HB       PHE  58   6.206  -5.248   1.044
  457   2HB   PHE  58          3HB       PHE  58   6.471  -6.946   1.351
  458    HD1  PHE  58          1HD       PHE  58   5.359  -7.861   3.171
  459    HD2  PHE  58          2HD       PHE  58   6.489  -3.718   3.277
  460    HE1  PHE  58          1HE       PHE  58   4.265  -7.622   5.386
  461    HE2  PHE  58          2HE       PHE  58   5.417  -3.479   5.518
  462    HZ   PHE  58           HZ       PHE  58   4.300  -5.429   6.568
  463    H    GLU  59           H        GLU  59   8.287  -7.794   0.341
  464    HA   GLU  59           HA       GLU  59   9.130  -9.585   2.337
  465   1HB   GLU  59          2HB       GLU  59   8.685  -9.637  -0.639
  466   2HB   GLU  59          3HB       GLU  59   9.859 -10.808  -0.063
  467   1HG   GLU  59          2HG       GLU  59   7.098 -10.495   1.176
  468   2HG   GLU  59          3HG       GLU  59   7.463 -11.633  -0.126
  469    H    ASP  60           H        ASP  60  10.877  -8.088  -0.376
  470    HA   ASP  60           HA       ASP  60  13.400  -9.132  -0.048
  471   1HB   ASP  60          2HB       ASP  60  12.292  -6.836  -1.414
  472   2HB   ASP  60          3HB       ASP  60  13.651  -6.260  -0.517
  473    H    VAL  61           H        VAL  61  12.063  -6.100   1.484
  474    HA   VAL  61           HA       VAL  61  14.142  -5.350   2.836
  475    HB   VAL  61           HB       VAL  61  11.227  -5.149   3.451
  476   1HG1  VAL  61          1HG       VAL  61  13.546  -3.920   4.990
  477   2HG1  VAL  61          2HG       VAL  61  11.889  -3.272   5.043
  478   3HG1  VAL  61          3HG       VAL  61  12.218  -4.911   5.623
  479   1HG2  VAL  61          1HG       VAL  61  11.306  -3.104   2.384
  480   2HG2  VAL  61          2HG       VAL  61  13.030  -2.846   2.735
  481   3HG2  VAL  61          3HG       VAL  61  12.538  -3.969   1.456
  482    H    GLY  62           H        GLY  62  11.388  -7.359   3.966
  483   1HA   GLY  62          2HA       GLY  62  11.787  -9.467   5.158
  484   2HA   GLY  62          3HA       GLY  62  13.318  -8.856   5.778
  485    H    HIS  63           HN       HIS  63  10.083  -7.327   5.654
  486    HA   HIS  63           HA       HIS  63  10.490  -5.754   7.833
  487   1HB   HIS  63          2HB       HIS  63   8.018  -6.697   6.373
  488   2HB   HIS  63          3HB       HIS  63   7.731  -5.844   7.867
  489    HD1  HIS  63           HND      HIS  63   9.043  -5.300   4.412
  490    HD2  HIS  63           HD       HIS  63   7.958  -3.175   7.722
  491    HE1  HIS  63           HE       HIS  63   8.914  -2.910   3.703
  492    H    SER  64           H        SER  64   9.328  -5.399   9.767
  493    HA   SER  64           HA       SER  64   9.183  -7.813  11.374
  494   1HB   SER  64          2HB       SER  64   8.836  -6.271  13.238
  495   2HB   SER  64          3HB       SER  64  10.182  -5.728  12.221
  496    HG   SER  64           HG       SER  64   8.203  -4.539  11.185
  497    H    THR  65           H        THR  65   7.271  -8.039  13.007
  498    HA   THR  65           HA       THR  65   4.889  -8.378  11.479
  499    HB   THR  65           HB       THR  65   5.603  -8.690  14.424
  500    HG1  THR  65          1HG       THR  65   5.451 -10.930  13.605
  501   1HG2  THR  65          1HG       THR  65   3.075  -8.393  13.937
  502   2HG2  THR  65          2HG       THR  65   3.220  -9.893  12.993
  503   3HG2  THR  65          3HG       THR  65   3.574  -9.883  14.741
  504    H    ASP  66           H        ASP  66   5.984  -6.062  14.011
  505    HA   ASP  66           HA       ASP  66   3.596  -4.735  14.513
  506   1HB   ASP  66          2HB       ASP  66   6.481  -3.820  14.263
  507   2HB   ASP  66          3HB       ASP  66   5.217  -2.620  14.507
  508    H    ALA  67           H        ALA  67   5.689  -4.629  11.700
  509    HA   ALA  67           HA       ALA  67   4.499  -2.218  10.523
  510   1HB   ALA  67          1HB       ALA  67   7.067  -3.938  10.199
  511   2HB   ALA  67          2HB       ALA  67   6.346  -3.922   9.267
  512   3HB   ALA  67          3HB       ALA  67   8.117  -2.276   9.196
  513    H    ARG  68           H        ARG  68   4.024  -5.847  10.300
  514    HA   ARG  68           HA       ARG  68   2.192  -5.820   8.143
  515   1HB   ARG  68          2HB       ARG  68   3.106  -7.743  10.173
  516   2HB   ARG  68          3HB       ARG  68   1.396  -7.979   9.867
  517   1HG   ARG  68          2HG       ARG  68   1.702  -8.559   7.650
  518   2HG   ARG  68          3HG       ARG  68   3.159  -7.577   7.477
  519   1HD   ARG  68          2HD       ARG  68   4.324  -9.489   7.623
  520   2HD   ARG  68          3HD       ARG  68   4.006  -9.441   9.342
  521    HE   ARG  68           HE       ARG  68   2.787 -11.183   7.345
  522   1HH1  ARG  68          2HH       ARG  68   2.459  -9.824  10.585
  523   2HH1  ARG  68          1HH       ARG  68   1.404 -11.055  11.178
  524   1HH2  ARG  68          2HH       ARG  68   1.367 -12.854   8.115
  525   2HH2  ARG  68          1HH       ARG  68   0.775 -12.814   9.736
  526    H    GLU  69           H        GLU  69   1.917  -4.616  11.375
  527    HA   GLU  69           HA       GLU  69  -0.986  -5.029  11.610
  528   1HB   GLU  69          2HB       GLU  69   1.211  -4.005  13.417
  529   2HB   GLU  69          3HB       GLU  69  -0.414  -3.416  13.679
  530   1HG   GLU  69          2HG       GLU  69  -0.796  -6.167  13.346
  531   2HG   GLU  69          3HG       GLU  69   0.763  -6.088  14.164
  532    H    LEU  70           H        LEU  70   1.289  -2.168  11.623
  533    HA   LEU  70           HA       LEU  70  -0.580  -0.201  11.479
  534   1HB   LEU  70          2HB       LEU  70   2.206  -0.616  10.460
  535   2HB   LEU  70          3HB       LEU  70   1.311   0.657   9.734
  536    HG   LEU  70           HG       LEU  70   2.456   1.776  11.329
  537   1HD1  LEU  70          1HD       LEU  70  -0.134   1.991  11.364
  538   2HD1  LEU  70          2HD       LEU  70  -0.018   1.236  12.972
  539   3HD1  LEU  70          3HD       LEU  70   0.814   2.777  12.633
  540   1HD2  LEU  70          1HD       LEU  70   3.352   0.781  13.111
  541   2HD2  LEU  70          2HD       LEU  70   1.761   0.260  13.735
  542   3HD2  LEU  70          3HD       LEU  70   2.602  -0.720  12.542
  543    H    SER  71           H        SER  71   0.615  -2.274   8.802
  544    HA   SER  71           HA       SER  71  -0.744  -1.046   6.733
  545   1HB   SER  71          2HB       SER  71  -0.562  -3.019   5.520
  546   2HB   SER  71          3HB       SER  71   0.648  -3.277   6.810
  547    HG   SER  71           HG       SER  71  -1.943  -4.344   6.647
  548    H    LYS  72           H        LYS  72  -2.140  -3.269   9.029
  549    HA   LYS  72           HA       LYS  72  -4.711  -3.433   7.925
  550   1HB   LYS  72          2HB       LYS  72  -3.531  -4.572  10.050
  551   2HB   LYS  72          3HB       LYS  72  -4.346  -3.282  10.925
  552   1HG   LYS  72          2HG       LYS  72  -6.204  -4.474   9.011
  553   2HG   LYS  72          3HG       LYS  72  -5.415  -5.760   9.927
  554   1HD   LYS  72          2HD       LYS  72  -6.000  -4.386  12.044
  555   2HD   LYS  72          3HD       LYS  72  -7.024  -3.406  10.968
  556   1HE   LYS  72          2HE       LYS  72  -8.083  -5.656  10.236
  557   2HE   LYS  72          3HE       LYS  72  -7.251  -6.378  11.620
  558   1HZ   LYS  72          1HZ       LYS  72  -9.663  -5.160  11.687
  559   2HZ   LYS  72          2HZ       LYS  72  -8.721  -5.477  13.005
  560   3HZ   LYS  72          3HZ       LYS  72  -8.670  -3.998  12.290
  561    H    THR  73           H        THR  73  -3.251  -0.912   9.975
  562    HA   THR  73           HA       THR  73  -5.750   0.595  10.097
  563    HB   THR  73           HB       THR  73  -3.546   0.460  11.701
  564    HG1  THR  73          1HG       THR  73  -5.723   1.430  11.932
  565   1HG2  THR  73          1HG       THR  73  -2.336   1.918   9.923
  566   2HG2  THR  73          2HG       THR  73  -3.314   3.241  10.541
  567   3HG2  THR  73          3HG       THR  73  -2.200   2.373  11.610
  568    H    PHE  74           H        PHE  74  -3.911   0.023   7.657
  569    HA   PHE  74           HA       PHE  74  -4.119   2.682   6.361
  570   1HB   PHE  74          2HB       PHE  74  -2.212   0.370   5.734
  571   2HB   PHE  74          3HB       PHE  74  -2.262   1.882   4.898
  572    HD1  PHE  74          1HD       PHE  74  -2.767   3.311   7.802
  573    HD2  PHE  74          2HD       PHE  74   0.208   0.732   6.047
  574    HE1  PHE  74          1HE       PHE  74  -1.128   4.123   9.430
  575    HE2  PHE  74          2HE       PHE  74   1.871   1.662   7.623
  576    HZ   PHE  74           HZ       PHE  74   1.146   3.230   9.376
  577    H    ILE  75           H        ILE  75  -4.863  -0.767   6.090
  578    HA   ILE  75           HA       ILE  75  -5.485  -0.949   3.439
  579    HB   ILE  75           HB       ILE  75  -5.754  -2.526   5.745
  580   1HG1  ILE  75          2HG       ILE  75  -6.669  -3.391   2.996
  581   2HG1  ILE  75          3HG       ILE  75  -4.998  -3.034   3.279
  582   1HG2  ILE  75          1HG       ILE  75  -8.031  -3.531   5.464
  583   2HG2  ILE  75          2HG       ILE  75  -8.060  -1.875   6.043
  584   3HG2  ILE  75          3HG       ILE  75  -8.439  -2.241   4.334
  585   1HD1  ILE  75          1HD       ILE  75  -6.596  -5.029   4.963
  586   2HD1  ILE  75          2HD       ILE  75  -5.503  -5.453   3.631
  587   3HD1  ILE  75          3HD       ILE  75  -4.917  -4.721   5.118
  588    H    ILE  76           H        ILE  76  -6.806   0.166   2.243
  589    HA   ILE  76           HA       ILE  76  -9.205   1.417   3.447
  590    HB   ILE  76           HB       ILE  76  -9.032   3.123   1.726
  591   1HG1  ILE  76          2HG       ILE  76  -6.580   3.126   0.582
  592   2HG1  ILE  76          3HG       ILE  76  -6.751   1.418   0.730
  593   1HG2  ILE  76          1HG       ILE  76  -6.336   3.358   2.764
  594   2HG2  ILE  76          2HG       ILE  76  -7.771   4.335   3.092
  595   3HG2  ILE  76          3HG       ILE  76  -7.450   2.844   4.006
  596   1HD1  ILE  76          1HD       ILE  76  -8.771   3.331  -0.469
  597   2HD1  ILE  76          2HD       ILE  76  -7.582   2.377  -1.406
  598   3HD1  ILE  76          3HD       ILE  76  -8.882   1.576  -0.554
  599    H    GLY  77           H        GLY  77  -8.374  -1.287   1.844
  600   1HA   GLY  77          2HA       GLY  77 -10.876  -1.985   1.003
  601   2HA   GLY  77          3HA       GLY  77 -10.169  -1.176  -0.407
  602    H    GLU  78           H        GLU  78  -9.914  -2.995  -1.703
  603    HA   GLU  78           HA       GLU  78  -7.559  -4.450  -1.399
  604   1HB   GLU  78          2HB       GLU  78  -8.408  -6.716  -0.998
  605   2HB   GLU  78          3HB       GLU  78  -8.778  -5.696   0.382
  606   1HG   GLU  78          2HG       GLU  78 -11.089  -5.354  -0.426
  607   2HG   GLU  78          3HG       GLU  78 -10.726  -6.368  -1.835
  608    H    LEU  79           H        LEU  79  -7.108  -5.722  -3.262
  609    HA   LEU  79           HA       LEU  79  -8.101  -4.826  -5.674
  610   1HB   LEU  79          2HB       LEU  79  -6.691  -7.312  -4.736
  611   2HB   LEU  79          3HB       LEU  79  -7.436  -7.387  -6.335
  612    HG   LEU  79           HG       LEU  79  -6.148  -5.594  -7.172
  613   1HD1  LEU  79          1HD       LEU  79  -6.240  -4.134  -5.150
  614   2HD1  LEU  79          2HD       LEU  79  -4.982  -5.126  -4.425
  615   3HD1  LEU  79          3HD       LEU  79  -4.699  -4.223  -5.960
  616   1HD2  LEU  79          1HD       LEU  79  -4.609  -7.660  -5.591
  617   2HD2  LEU  79          2HD       LEU  79  -4.815  -7.507  -7.342
  618   3HD2  LEU  79          3HD       LEU  79  -3.730  -6.408  -6.492
  619    H    HIS  80           H        HIS  80  -9.795  -5.121  -6.921
  620    HA   HIS  80           HA       HIS  80 -12.199  -5.857  -5.945
  621   1HB   HIS  80          2HB       HIS  80 -11.068  -5.430  -8.595
  622   2HB   HIS  80          3HB       HIS  80 -12.328  -6.658  -8.654
  623    HD1  HIS  80           HD1      HIS  80 -14.034  -5.174  -9.904
  624    HD2  HIS  80           HD2      HIS  80 -12.585  -3.547  -6.314
  625    HE1  HIS  80           HE1      HIS  80 -15.499  -3.135  -9.368
  626    HA   PRO  81           HA       PRO  81 -12.409 -10.158  -5.582
  627   1HB   PRO  81          2HB       PRO  81 -15.060 -10.716  -6.310
  628   2HB   PRO  81          3HB       PRO  81 -14.542 -10.048  -4.739
  629   1HG   PRO  81          2HG       PRO  81 -15.894  -8.669  -6.999
  630   2HG   PRO  81          3HG       PRO  81 -15.794  -8.196  -5.278
  631   1HD   PRO  81          2HD       PRO  81 -14.286  -7.145  -7.476
  632   2HD   PRO  81          3HD       PRO  81 -14.088  -6.757  -5.749
  633    H    ASP  82           H        ASP  82 -14.056  -9.106  -8.590
  634    HA   ASP  82           HA       ASP  82 -13.527 -11.605  -9.952
  635   1HB   ASP  82          2HB       ASP  82 -14.391  -8.819 -10.803
  636   2HB   ASP  82          3HB       ASP  82 -13.952 -10.021 -12.018
  637    H    ASP  83           H        ASP  83 -11.753  -8.679  -9.294
  638    HA   ASP  83           HA       ASP  83  -9.823  -9.075 -11.444
  639   1HB   ASP  83          2HB       ASP  83  -9.830  -7.159  -9.102
  640   2HB   ASP  83          3HB       ASP  83  -8.652  -7.181 -10.404
  641    H    ARG  84           H        ARG  84 -10.451 -10.776  -8.738
  642    HA   ARG  84           HA       ARG  84  -7.840 -10.784  -7.493
  643   1HB   ARG  84          2HB       ARG  84  -9.990 -11.307  -6.277
  644   2HB   ARG  84          3HB       ARG  84 -10.145 -12.776  -7.255
  645   1HG   ARG  84          2HG       ARG  84  -7.494 -12.808  -6.152
  646   2HG   ARG  84          3HG       ARG  84  -8.572 -12.310  -4.859
  647   1HD   ARG  84          2HD       ARG  84 -10.068 -14.299  -5.599
  648   2HD   ARG  84          3HD       ARG  84  -8.659 -14.855  -6.522
  649    HE   ARG  84           HE       ARG  84  -7.587 -14.395  -4.070
  650   1HH1  ARG  84          2HH       ARG  84 -10.448 -16.195  -5.080
  651   2HH1  ARG  84          1HH       ARG  84 -10.404 -17.323  -3.772
  652   1HH2  ARG  84          2HH       ARG  84  -7.500 -15.898  -2.301
  653   2HH2  ARG  84          1HH       ARG  84  -8.687 -17.144  -2.160
  654    H    SER  85           H        SER  85  -9.575 -12.630  -9.960
  655    HA   SER  85           HA       SER  85  -7.088 -14.195 -10.439
  656   1HB   SER  85          2HB       SER  85  -9.602 -15.249  -9.569
  657   2HB   SER  85          3HB       SER  85  -9.421 -15.704 -11.259
  658    HG   SER  85           HG       SER  85  -8.030 -16.580  -9.078
  659    H    LYS  86           H        LYS  86  -7.843 -11.708 -11.604
  660    HA   LYS  86           HA       LYS  86  -8.292 -12.633 -14.401
  661   1HB   LYS  86          2HB       LYS  86  -9.748 -10.605 -12.850
  662   2HB   LYS  86          3HB       LYS  86  -9.176  -9.974 -14.357
  663   1HG   LYS  86          2HG       LYS  86 -10.155 -12.412 -15.203
  664   2HG   LYS  86          3HG       LYS  86 -11.250 -12.049 -13.864
  665   1HD   LYS  86          2HD       LYS  86 -11.779  -9.874 -14.868
  666   2HD   LYS  86          3HD       LYS  86 -10.565 -10.111 -16.133
  667   1HE   LYS  86          2HE       LYS  86 -11.996 -11.272 -17.418
  668   2HE   LYS  86          3HE       LYS  86 -12.286 -12.423 -16.110
  669   1HZ   LYS  86          1HZ       LYS  86 -14.329 -11.573 -16.142
  670   2HZ   LYS  86          2HZ       LYS  86 -13.706 -10.294 -15.327
  671   3HZ   LYS  86          3HZ       LYS  86 -13.891 -10.204 -16.958
  672    H    LEU  87           H        LEU  87  -5.859 -12.699 -13.378
  673    HA   LEU  87           HA       LEU  87  -4.566 -10.223 -14.486
  674   1HB   LEU  87          2HB       LEU  87  -3.536 -12.196 -12.427
  675   2HB   LEU  87          3HB       LEU  87  -2.593 -10.888 -13.116
  676    HG   LEU  87           HG       LEU  87  -5.121  -9.840 -12.075
  677   1HD1  LEU  87          1HD       LEU  87  -5.360 -11.162 -10.259
  678   2HD1  LEU  87          2HD       LEU  87  -3.726 -11.838 -10.369
  679   3HD1  LEU  87          3HD       LEU  87  -3.981 -10.274  -9.600
  680   1HD2  LEU  87          1HD       LEU  87  -3.793  -8.139 -11.274
  681   2HD2  LEU  87          2HD       LEU  87  -2.409  -9.201 -10.930
  682   3HD2  LEU  87          3HD       LEU  87  -2.790  -8.733 -12.600
  683    H    SER  88           H        SER  88  -4.015 -13.761 -14.053
  684    HA   SER  88           HA       SER  88  -2.110 -13.922 -16.160
  685   1HB   SER  88          2HB       SER  88  -3.631 -15.833 -14.451
  686   2HB   SER  88          3HB       SER  88  -3.134 -16.468 -16.027
  687    HG   SER  88           HG       SER  88  -1.619 -16.347 -13.970
  688    H    LYS  89           H        LYS  89  -2.822 -12.954 -18.034
  689    HA   LYS  89           HA       LYS  89  -4.401 -14.615 -19.703
  690   1HB   LYS  89          2HB       LYS  89  -5.996 -12.997 -18.107
  691   2HB   LYS  89          3HB       LYS  89  -5.843 -12.041 -19.565
  692   1HG   LYS  89          2HG       LYS  89  -6.269 -14.689 -20.517
  693   2HG   LYS  89          3HG       LYS  89  -7.276 -14.597 -19.080
  694   1HD   LYS  89          2HD       LYS  89  -8.674 -13.026 -20.000
  695   2HD   LYS  89          3HD       LYS  89  -7.408 -12.255 -20.969
  696   1HE   LYS  89          2HE       LYS  89  -7.505 -13.817 -22.690
  697   2HE   LYS  89          3HE       LYS  89  -8.232 -15.063 -21.663
  698   1HZ   LYS  89          1HZ       LYS  89 -10.193 -13.517 -21.540
  699   2HZ   LYS  89          2HZ       LYS  89  -9.528 -12.681 -22.795
  700   3HZ   LYS  89          3HZ       LYS  89  -9.951 -14.264 -22.985
  701    HA   PRO  90           HA       PRO  90  -1.610 -12.139 -22.135
  702   1HB   PRO  90          2HB       PRO  90  -1.784 -13.683 -24.459
  703   2HB   PRO  90          3HB       PRO  90  -0.698 -13.998 -23.079
  704   1HG   PRO  90          2HG       PRO  90  -3.179 -15.430 -23.862
  705   2HG   PRO  90          3HG       PRO  90  -1.835 -15.976 -22.818
  706   1HD   PRO  90          2HD       PRO  90  -4.407 -15.011 -22.000
  707   2HD   PRO  90          3HD       PRO  90  -3.020 -15.441 -20.963
  708    H    MET  91           H        MET  91  -2.209 -10.260 -22.893
  709    HA   MET  91           HA       MET  91  -4.827  -9.798 -23.954
  710   1HB   MET  91          2HB       MET  91  -2.818  -8.225 -22.855
  711   2HB   MET  91          3HB       MET  91  -2.712  -7.768 -24.556
  712   1HG   MET  91          2HG       MET  91  -5.066  -7.158 -24.603
  713   2HG   MET  91          3HG       MET  91  -5.302  -7.822 -22.985
  714   1HE   MET  91          1HE       MET  91  -4.701  -5.468 -20.612
  715   2HE   MET  91          2HE       MET  91  -5.991  -4.877 -21.692
  716   3HE   MET  91          3HE       MET  91  -5.783  -6.621 -21.416
  717    H    GLU  92           H        GLU  92  -1.570  -9.661 -25.431
  718    HA   GLU  92           HA       GLU  92  -0.850  -9.931 -27.549
  719   1HB   GLU  92          2HB       GLU  92  -2.800 -11.942 -27.194
  720   2HB   GLU  92          3HB       GLU  92  -3.178 -11.210 -28.758
  721   1HG   GLU  92          2HG       GLU  92  -0.650 -11.416 -29.270
  722   2HG   GLU  92          3HG       GLU  92  -0.572 -12.471 -27.850
  723    H    THR  93           H        THR  93  -0.688  -7.928 -28.445
  724    HA   THR  93           HA       THR  93  -3.151  -6.864 -29.756
  725    HB   THR  93           HB       THR  93  -0.990  -5.419 -28.187
  726    HG1  THR  93          1HG       THR  93  -2.915  -6.480 -27.237
  727   1HG2  THR  93          1HG       THR  93  -1.382  -3.820 -29.860
  728   2HG2  THR  93          2HG       THR  93  -3.030  -4.417 -30.179
  729   3HG2  THR  93          3HG       THR  93  -2.702  -3.461 -28.723
  730    H    LEU  94           H        LEU  94  -2.942  -6.125 -31.786
  731    HA   LEU  94           HA       LEU  94  -0.807  -7.183 -33.293
  732   1HB   LEU  94          2HB       LEU  94  -3.195  -6.867 -34.012
  733   2HB   LEU  94          3HB       LEU  94  -2.884  -5.162 -34.242
  734    HG   LEU  94           HG       LEU  94  -2.828  -6.405 -36.336
  735   1HD1  LEU  94          1HD       LEU  94  -0.959  -5.385 -37.254
  736   2HD1  LEU  94          2HD       LEU  94  -1.166  -4.475 -35.736
  737   3HD1  LEU  94          3HD       LEU  94   0.049  -5.766 -35.905
  738   1HD2  LEU  94          1HD       LEU  94  -1.137  -8.116 -36.822
  739   2HD2  LEU  94          2HD       LEU  94  -0.538  -8.031 -35.164
  740   3HD2  LEU  94          3HD       LEU  94  -2.185  -8.616 -35.480
  741    HHA  HEM  95          MHG       HEM  95  11.821  -0.630   8.578
  742    HHB  HEM  95          MHD       HEM  95   5.479  -0.207   9.425
  743    HHC  HEM  95          MHA       HEM  95   4.757  -0.827   3.083
  744    HHD  HEM  95          MHB       HEM  95  11.018  -0.108   2.254
  745   1HMA  HEM  95          1HM       HEM  95   6.487  -1.321  11.270
  746   2HMA  HEM  95          2HM       HEM  95   7.955  -1.120  12.197
  747   3HMA  HEM  95          3HM       HEM  95   6.970   0.293  11.745
  748   1HAA  HEM  95          1HP       HEM  95  10.136  -0.956  11.962
  749   2HAA  HEM  95          2HP       HEM  95  11.260  -0.079  10.946
  750   1HBA  HEM  95          3HP       HEM  95  11.235  -2.502   9.660
  751   2HBA  HEM  95          4HP       HEM  95  10.939  -3.003  11.317
  752   1HMB  HEM  95          1HM       HEM  95   3.433  -1.279   8.841
  753   2HMB  HEM  95          2HM       HEM  95   3.148   0.402   8.589
  754   3HMB  HEM  95          3HM       HEM  95   2.152  -0.810   7.701
  755    HAB  HEM  95          AHT       HEM  95   3.090  -1.546   3.956
  756   1HBB  HEM  95          CHV       HEM  95   2.229  -2.705   5.696
  757   2HBB  HEM  95          THV       HEM  95   1.014  -1.895   4.587
  758   1HMC  HEM  95          1HM       HEM  95   5.248  -1.602   1.165
  759   2HMC  HEM  95          2HM       HEM  95   5.557  -0.029   0.402
  760   3HMC  HEM  95          3HM       HEM  95   6.421  -1.524  -0.105
  761    HAC  HEM  95          AHT       HEM  95  10.158  -0.062   0.350
  762   1HBC  HEM  95          THV       HEM  95   9.228   0.465  -1.574
  763   2HBC  HEM  95          CHV       HEM  95   7.532   0.109  -0.932
  764   1HMD  HEM  95          1HM       HEM  95  14.331  -0.255   3.815
  765   2HMD  HEM  95          2HM       HEM  95  13.070  -0.170   2.607
  766   3HMD  HEM  95          3HM       HEM  95  13.535   1.301   3.460
  767   1HAD  HEM  95          1HP       HEM  95  14.617   0.248   6.104
  768   2HAD  HEM  95          2HP       HEM  95  13.991  -0.879   7.313
  769   1HBD  HEM  95          3HP       HEM  95  13.200   0.901   8.703
  770   2HBD  HEM  95          4HP       HEM  95  13.357   2.093   7.398
  Start of MODEL   40
    1   1H    ASP   1           H1       ASP   1 -14.270  -4.825  11.977
    2   2H    ASP   1           H2       ASP   1 -13.089  -4.563  13.070
    3   3H    ASP   1           H3       ASP   1 -14.678  -4.520  13.545
    4    HA   ASP   1           HA       ASP   1 -13.452  -2.313  13.178
    5   1HB   ASP   1          2HB       ASP   1 -15.335  -1.158  12.526
    6   2HB   ASP   1          3HB       ASP   1 -15.876  -2.397  11.390
    7    H    LYS   2           H        LYS   2 -13.498  -0.780  10.904
    8    HA   LYS   2           HA       LYS   2 -12.614  -0.530   8.797
    9   1HB   LYS   2          2HB       LYS   2 -11.192  -3.175   9.415
   10   2HB   LYS   2          3HB       LYS   2 -10.954  -2.294   7.949
   11   1HG   LYS   2          2HG       LYS   2 -10.593  -0.929  10.649
   12   2HG   LYS   2          3HG       LYS   2  -9.342  -1.954   9.951
   13   1HD   LYS   2          2HD       LYS   2  -8.652  -0.024   9.021
   14   2HD   LYS   2          3HD       LYS   2  -9.804  -0.451   7.761
   15   1HE   LYS   2          2HE       LYS   2 -11.219   1.254   8.267
   16   2HE   LYS   2          3HE       LYS   2 -11.023   1.048  10.015
   17   1HZ   LYS   2          1HZ       LYS   2  -8.963   2.254   8.288
   18   2HZ   LYS   2          2HZ       LYS   2 -10.083   3.138   9.117
   19   3HZ   LYS   2          3HZ       LYS   2  -8.987   2.219   9.932
   20    H    ASP   3           H        ASP   3 -12.445  -2.021   6.546
   21    HA   ASP   3           HA       ASP   3 -14.654  -3.801   6.320
   22   1HB   ASP   3          2HB       ASP   3 -15.456  -1.132   6.333
   23   2HB   ASP   3          3HB       ASP   3 -15.134  -1.381   4.621
   24    H    VAL   4           H        VAL   4 -15.074  -3.583   3.583
   25    HA   VAL   4           HA       VAL   4 -12.346  -3.587   2.418
   26    HB   VAL   4           HB       VAL   4 -14.413  -5.736   1.879
   27   1HG1  VAL   4          1HG       VAL   4 -12.487  -6.809   0.756
   28   2HG1  VAL   4          2HG       VAL   4 -12.831  -5.234   0.031
   29   3HG1  VAL   4          3HG       VAL   4 -11.474  -5.407   1.170
   30   1HG2  VAL   4          1HG       VAL   4 -12.987  -7.239   3.179
   31   2HG2  VAL   4          2HG       VAL   4 -11.829  -5.927   3.509
   32   3HG2  VAL   4          3HG       VAL   4 -13.449  -5.906   4.232
   33    H    LYS   5           H        LYS   5 -12.738  -1.583   1.434
   34    HA   LYS   5           HA       LYS   5 -15.158  -1.351  -0.185
   35   1HB   LYS   5          2HB       LYS   5 -13.930   0.534   1.204
   36   2HB   LYS   5          3HB       LYS   5 -12.859   0.609  -0.172
   37   1HG   LYS   5          2HG       LYS   5 -14.548   2.226  -0.647
   38   2HG   LYS   5          3HG       LYS   5 -15.012   0.826  -1.623
   39   1HD   LYS   5          2HD       LYS   5 -16.345   0.202   0.689
   40   2HD   LYS   5          3HD       LYS   5 -16.223   1.944   0.900
   41   1HE   LYS   5          2HE       LYS   5 -18.265   1.690  -0.239
   42   2HE   LYS   5          3HE       LYS   5 -17.123   2.119  -1.525
   43   1HZ   LYS   5          1HZ       LYS   5 -18.443  -0.419  -0.993
   44   2HZ   LYS   5          2HZ       LYS   5 -18.106   0.302  -2.435
   45   3HZ   LYS   5          3HZ       LYS   5 -16.924  -0.492  -1.620
   46    H    TYR   6           H        TYR   6 -14.415  -3.373  -1.354
   47    HA   TYR   6           HA       TYR   6 -12.606  -3.967  -3.062
   48   1HB   TYR   6          2HB       TYR   6 -15.565  -4.000  -3.398
   49   2HB   TYR   6          3HB       TYR   6 -14.565  -4.468  -4.738
   50    HD1  TYR   6           HD1      TYR   6 -15.350  -5.357  -1.196
   51    HD2  TYR   6           HD2      TYR   6 -13.487  -6.539  -4.903
   52    HE1  TYR   6           HE1      TYR   6 -15.077  -7.664  -0.328
   53    HE2  TYR   6           HE2      TYR   6 -13.202  -8.853  -4.013
   54    HH   TYR   6           HH       TYR   6 -12.941  -9.705  -1.434
   55    H    TYR   7           H        TYR   7 -11.266  -2.189  -3.766
   56    HA   TYR   7           HA       TYR   7 -12.393  -0.199  -5.547
   57   1HB   TYR   7          2HB       TYR   7  -9.713  -0.689  -4.168
   58   2HB   TYR   7          3HB       TYR   7  -9.831   0.410  -5.424
   59    HD1  TYR   7           HD1      TYR   7 -11.832   2.202  -5.297
   60    HD2  TYR   7           HD2      TYR   7 -10.145   0.125  -1.937
   61    HE1  TYR   7           HE1      TYR   7 -12.678   3.983  -3.808
   62    HE2  TYR   7           HE2      TYR   7 -11.073   1.862  -0.420
   63    HH   TYR   7           HH       TYR   7 -12.193   4.899  -1.505
   64    H    THR   8           H        THR   8 -11.599   0.151  -7.691
   65    HA   THR   8           HA       THR   8 -10.846  -2.399  -8.986
   66    HB   THR   8           HB       THR   8 -11.366  -0.975 -11.063
   67    HG1  THR   8          1HG       THR   8 -11.218   1.097 -10.313
   68   1HG2  THR   8          1HG       THR   8 -13.908  -0.675 -10.002
   69   2HG2  THR   8          2HG       THR   8 -13.263  -2.201 -10.640
   70   3HG2  THR   8          3HG       THR   8 -13.225  -1.874  -8.899
   71    H    LEU   9           H        LEU   9  -9.014  -2.444 -10.504
   72    HA   LEU   9           HA       LEU   9  -6.674  -1.428  -9.472
   73   1HB   LEU   9          2HB       LEU   9  -7.100  -1.935 -12.442
   74   2HB   LEU   9          3HB       LEU   9  -5.576  -1.891 -11.568
   75    HG   LEU   9           HG       LEU   9  -5.957  -4.147 -11.769
   76   1HD1  LEU   9          1HD       LEU   9  -6.327  -4.963  -9.489
   77   2HD1  LEU   9          2HD       LEU   9  -5.535  -3.383  -9.415
   78   3HD1  LEU   9          3HD       LEU   9  -7.279  -3.563  -9.070
   79   1HD2  LEU   9          1HD       LEU   9  -7.957  -5.079 -12.225
   80   2HD2  LEU   9          2HD       LEU   9  -8.649  -4.529 -10.694
   81   3HD2  LEU   9          3HD       LEU   9  -8.666  -3.483 -12.142
   82    H    GLU  10           H        GLU  10  -8.738   0.067 -11.937
   83    HA   GLU  10           HA       GLU  10  -7.210   2.332 -12.564
   84   1HB   GLU  10          2HB       GLU  10 -10.172   1.765 -12.376
   85   2HB   GLU  10          3HB       GLU  10  -9.611   3.386 -12.767
   86   1HG   GLU  10          2HG       GLU  10  -8.305   1.172 -14.304
   87   2HG   GLU  10          3HG       GLU  10 -10.028   1.370 -14.610
   88    H    GLU  11           H        GLU  11  -9.296   1.811  -9.605
   89    HA   GLU  11           HA       GLU  11  -9.081   4.550  -8.760
   90   1HB   GLU  11          2HB       GLU  11  -9.781   1.911  -7.392
   91   2HB   GLU  11          3HB       GLU  11  -9.729   3.434  -6.543
   92   1HG   GLU  11          2HG       GLU  11 -11.467   2.766  -8.929
   93   2HG   GLU  11          3HG       GLU  11 -12.020   2.884  -7.269
   94    H    ILE  12           H        ILE  12  -7.295   1.490  -8.064
   95    HA   ILE  12           HA       ILE  12  -5.659   2.673  -6.093
   96    HB   ILE  12           HB       ILE  12  -5.004   0.499  -8.067
   97   1HG1  ILE  12          2HG       ILE  12  -5.706   0.007  -5.185
   98   2HG1  ILE  12          3HG       ILE  12  -7.008   0.474  -6.250
   99   1HG2  ILE  12          1HG       ILE  12  -3.520   1.514  -5.675
  100   2HG2  ILE  12          2HG       ILE  12  -3.569  -0.246  -5.900
  101   3HG2  ILE  12          3HG       ILE  12  -2.931   0.751  -7.198
  102   1HD1  ILE  12          1HD       ILE  12  -5.723  -2.071  -6.029
  103   2HD1  ILE  12          2HD       ILE  12  -7.075  -1.611  -7.124
  104   3HD1  ILE  12          3HD       ILE  12  -5.381  -1.511  -7.640
  105    H    LYS  13           H        LYS  13  -5.263   2.487  -9.641
  106    HA   LYS  13           HA       LYS  13  -2.723   3.924  -9.692
  107   1HB   LYS  13          2HB       LYS  13  -4.819   3.203 -11.777
  108   2HB   LYS  13          3HB       LYS  13  -3.425   4.214 -12.173
  109   1HG   LYS  13          2HG       LYS  13  -2.027   2.451 -12.269
  110   2HG   LYS  13          3HG       LYS  13  -2.488   1.942 -10.652
  111   1HD   LYS  13          2HD       LYS  13  -3.143   0.082 -11.723
  112   2HD   LYS  13          3HD       LYS  13  -4.638   0.991 -11.948
  113   1HE   LYS  13          2HE       LYS  13  -4.020   1.653 -14.177
  114   2HE   LYS  13          3HE       LYS  13  -2.393   0.972 -13.973
  115   1HZ   LYS  13          1HZ       LYS  13  -3.805  -0.540 -15.184
  116   2HZ   LYS  13          2HZ       LYS  13  -3.412  -1.208 -13.733
  117   3HZ   LYS  13          3HZ       LYS  13  -4.912  -0.572 -13.969
  118    H    LYS  14           H        LYS  14  -6.115   4.864  -9.536
  119    HA   LYS  14           HA       LYS  14  -5.762   7.571 -10.420
  120   1HB   LYS  14          2HB       LYS  14  -7.950   6.332 -10.185
  121   2HB   LYS  14          3HB       LYS  14  -7.828   6.512  -8.429
  122   1HG   LYS  14          2HG       LYS  14  -7.940   8.908  -8.581
  123   2HG   LYS  14          3HG       LYS  14  -7.773   8.841 -10.351
  124   1HD   LYS  14          2HD       LYS  14  -9.967   7.343 -10.201
  125   2HD   LYS  14          3HD       LYS  14 -10.129   8.089  -8.604
  126   1HE   LYS  14          2HE       LYS  14  -9.483  10.264 -10.216
  127   2HE   LYS  14          3HE       LYS  14 -10.369   9.236 -11.351
  128   1HZ   LYS  14          1HZ       LYS  14 -11.328  10.332  -8.795
  129   2HZ   LYS  14          2HZ       LYS  14 -11.932  10.612 -10.302
  130   3HZ   LYS  14          3HZ       LYS  14 -12.126   9.132  -9.593
  131    H    HIS  15           H        HIS  15  -4.668   5.846  -7.576
  132    HA   HIS  15           HA       HIS  15  -3.785   8.451  -6.520
  133   1HB   HIS  15          2HB       HIS  15  -4.432   6.444  -4.527
  134   2HB   HIS  15          3HB       HIS  15  -4.707   8.191  -4.601
  135    HD1  HIS  15           HD1      HIS  15  -7.058   8.851  -6.042
  136    HD2  HIS  15           HD2      HIS  15  -6.441   4.853  -4.931
  137    HE1  HIS  15           HE1      HIS  15  -9.358   7.664  -6.131
  138    H    ASN  16           H        ASN  16  -1.778   8.263  -7.157
  139    HA   ASN  16           HA       ASN  16  -0.067   6.254  -5.861
  140   1HB   ASN  16          2HB       ASN  16   0.944   5.423  -7.877
  141   2HB   ASN  16          3HB       ASN  16  -0.803   5.285  -8.079
  142   1HD2  ASN  16          1HD       ASN  16  -1.840   7.283  -9.253
  143   2HD2  ASN  16          2HD       ASN  16  -0.861   8.122 -10.424
  144    H    HIS  17           H        HIS  17  -0.432   9.161  -5.631
  145    HA   HIS  17           HA       HIS  17   2.182  10.158  -6.726
  146   1HB   HIS  17          2HB       HIS  17  -0.295  11.800  -6.133
  147   2HB   HIS  17          3HB       HIS  17   1.218  12.359  -6.840
  148    HD1  HIS  17           HD1      HIS  17   1.537  11.921  -9.451
  149    HD2  HIS  17           HD2      HIS  17  -1.943  10.271  -7.724
  150    HE1  HIS  17           HE1      HIS  17   0.052  11.149 -11.379
  151    H    SER  18           H        SER  18  -0.138  10.955  -4.135
  152    HA   SER  18           HA       SER  18   1.555  10.497  -1.925
  153   1HB   SER  18          2HB       SER  18   2.019  13.127  -3.265
  154   2HB   SER  18          3HB       SER  18   1.703  13.206  -1.525
  155    HG   SER  18           HG       SER  18   3.793  11.929  -2.882
  156    H    LYS  19           H        LYS  19  -1.007  12.546  -3.378
  157    HA   LYS  19           HA       LYS  19  -2.269  13.138  -0.911
  158   1HB   LYS  19          2HB       LYS  19  -2.688  13.633  -3.693
  159   2HB   LYS  19          3HB       LYS  19  -4.148  12.837  -3.156
  160   1HG   LYS  19          2HG       LYS  19  -3.160  15.016  -1.342
  161   2HG   LYS  19          3HG       LYS  19  -3.578  15.528  -2.973
  162   1HD   LYS  19          2HD       LYS  19  -5.804  14.206  -2.613
  163   2HD   LYS  19          3HD       LYS  19  -5.357  14.243  -0.893
  164   1HE   LYS  19          2HE       LYS  19  -4.910  16.871  -1.684
  165   2HE   LYS  19          3HE       LYS  19  -6.225  16.407  -2.770
  166   1HZ   LYS  19          1HZ       LYS  19  -7.229  17.256  -0.861
  167   2HZ   LYS  19          2HZ       LYS  19  -7.377  15.625  -0.681
  168   3HZ   LYS  19          3HZ       LYS  19  -6.232  16.448   0.169
  169    H    SER  20           H        SER  20  -2.083  10.164  -2.583
  170    HA   SER  20           HA       SER  20  -3.422   8.662  -0.538
  171   1HB   SER  20          2HB       SER  20  -4.910   9.407  -2.986
  172   2HB   SER  20          3HB       SER  20  -4.906   7.669  -2.574
  173    HG   SER  20           HG       SER  20  -6.480   8.305  -1.349
  174    H    THR  21           H        THR  21  -0.830   8.435  -1.051
  175    HA   THR  21           HA       THR  21  -0.001   6.641  -3.123
  176    HB   THR  21           HB       THR  21   1.038   7.682  -0.513
  177    HG1  THR  21          1HG       THR  21   1.363   8.521  -2.687
  178   1HG2  THR  21          1HG       THR  21   2.026   5.098  -1.764
  179   2HG2  THR  21          2HG       THR  21   3.094   6.193  -0.864
  180   3HG2  THR  21          3HG       THR  21   1.712   5.474  -0.045
  181    H    TRP  22           H        TRP  22  -1.612   5.149  -3.407
  182    HA   TRP  22           HA       TRP  22  -2.091   3.285  -1.177
  183   1HB   TRP  22          2HB       TRP  22  -3.156   3.616  -3.995
  184   2HB   TRP  22          3HB       TRP  22  -3.478   2.170  -3.040
  185    HD1  TRP  22           HD1      TRP  22  -3.405   5.200  -0.834
  186    HE1  TRP  22           HE1      TRP  22  -5.745   5.830  -0.123
  187    HE3  TRP  22           HE3      TRP  22  -5.942   2.193  -4.054
  188    HZ2  TRP  22           HZ2      TRP  22  -8.480   5.256  -1.062
  189    HZ3  TRP  22           HZ3      TRP  22  -8.412   2.315  -4.225
  190    HH2  TRP  22           HH2      TRP  22  -9.664   3.866  -2.777
  191    H    LEU  23           H        LEU  23  -1.754   0.902  -1.729
  192    HA   LEU  23           HA       LEU  23  -0.134   0.107  -3.917
  193   1HB   LEU  23          2HB       LEU  23   1.941  -0.411  -2.612
  194   2HB   LEU  23          3HB       LEU  23   1.712   1.237  -3.016
  195    HG   LEU  23           HG       LEU  23   0.666   1.519  -0.573
  196   1HD1  LEU  23          1HD       LEU  23   0.324  -0.441   0.263
  197   2HD1  LEU  23          2HD       LEU  23   1.563  -1.262  -0.676
  198   3HD1  LEU  23          3HD       LEU  23   1.995  -0.377   0.811
  199   1HD2  LEU  23          1HD       LEU  23   3.452   1.025  -0.022
  200   2HD2  LEU  23          2HD       LEU  23   3.347   1.669  -1.649
  201   3HD2  LEU  23          3HD       LEU  23   2.626   2.567  -0.310
  202    H    ILE  24           H        ILE  24   0.359  -2.263  -3.697
  203    HA   ILE  24           HA       ILE  24  -1.787  -3.431  -1.943
  204    HB   ILE  24           HB       ILE  24  -0.455  -4.482  -4.466
  205   1HG1  ILE  24          2HG       ILE  24  -3.317  -3.807  -4.590
  206   2HG1  ILE  24          3HG       ILE  24  -2.372  -2.426  -4.225
  207   1HG2  ILE  24          1HG       ILE  24  -1.433  -6.200  -2.797
  208   2HG2  ILE  24          2HG       ILE  24  -3.007  -5.652  -3.413
  209   3HG2  ILE  24          3HG       ILE  24  -1.801  -6.331  -4.507
  210   1HD1  ILE  24          1HD       ILE  24  -2.612  -3.727  -6.808
  211   2HD1  ILE  24          2HD       ILE  24  -1.884  -2.170  -6.384
  212   3HD1  ILE  24          3HD       ILE  24  -0.917  -3.646  -6.344
  213    H    LEU  25           H        LEU  25  -0.654  -4.382  -0.104
  214    HA   LEU  25           HA       LEU  25   2.059  -5.518  -0.663
  215   1HB   LEU  25          2HB       LEU  25   0.851  -4.891   2.006
  216   2HB   LEU  25          3HB       LEU  25   2.504  -5.400   1.668
  217    HG   LEU  25           HG       LEU  25   1.206  -2.815   0.761
  218   1HD1  LEU  25          1HD       LEU  25   3.022  -3.653   2.946
  219   2HD1  LEU  25          2HD       LEU  25   3.483  -2.181   2.083
  220   3HD1  LEU  25          3HD       LEU  25   1.880  -2.292   2.835
  221   1HD2  LEU  25          1HD       LEU  25   3.477  -2.285  -0.090
  222   2HD2  LEU  25          2HD       LEU  25   3.880  -4.024   0.039
  223   3HD2  LEU  25          3HD       LEU  25   2.587  -3.453  -1.037
  224    H    HIS  26           H        HIS  26  -0.731  -6.741  -0.995
  225    HA   HIS  26           HA       HIS  26  -0.418  -9.386  -0.768
  226   1HB   HIS  26          2HB       HIS  26  -1.335 -10.132   1.361
  227   2HB   HIS  26          3HB       HIS  26   0.231  -9.417   1.573
  228    HD1  HIS  26           HD1      HIS  26  -1.792  -9.755   3.934
  229    HD2  HIS  26           HD2      HIS  26  -1.516  -6.288   1.565
  230    HE1  HIS  26           HE1      HIS  26  -2.884  -7.831   5.261
  231    H    HIS  27           H        HIS  27  -1.891  -8.872  -2.497
  232    HA   HIS  27           HA       HIS  27  -3.972  -8.338  -3.383
  233   1HB   HIS  27          2HB       HIS  27  -5.570 -10.172  -2.660
  234   2HB   HIS  27          3HB       HIS  27  -3.968 -10.685  -3.234
  235    HD1  HIS  27           HD1      HIS  27  -6.342 -11.525  -0.690
  236    HD2  HIS  27           HD2      HIS  27  -2.179 -11.340  -1.119
  237    HE1  HIS  27           HE1      HIS  27  -5.316 -12.920   1.253
  238    H    LYS  28           H        LYS  28  -3.642  -6.342  -1.615
  239    HA   LYS  28           HA       LYS  28  -6.314  -5.763  -0.722
  240   1HB   LYS  28          2HB       LYS  28  -4.050  -6.287   1.199
  241   2HB   LYS  28          3HB       LYS  28  -5.015  -4.860   1.503
  242   1HG   LYS  28          2HG       LYS  28  -6.432  -6.200   2.608
  243   2HG   LYS  28          3HG       LYS  28  -7.011  -6.679   1.029
  244   1HD   LYS  28          2HD       LYS  28  -5.403  -8.585   1.056
  245   2HD   LYS  28          3HD       LYS  28  -4.897  -8.133   2.681
  246   1HE   LYS  28          2HE       LYS  28  -6.791  -9.064   3.581
  247   2HE   LYS  28          3HE       LYS  28  -7.813  -8.215   2.404
  248   1HZ   LYS  28          1HZ       LYS  28  -6.879  -9.950   0.809
  249   2HZ   LYS  28          2HZ       LYS  28  -6.612 -10.849   2.173
  250   3HZ   LYS  28          3HZ       LYS  28  -8.143 -10.348   1.789
  251    H    VAL  29           H        VAL  29  -6.196  -3.227   0.149
  252    HA   VAL  29           HA       VAL  29  -4.227  -1.850  -1.538
  253    HB   VAL  29           HB       VAL  29  -7.133  -1.488  -0.920
  254   1HG1  VAL  29          1HG       VAL  29  -7.055   0.461  -2.378
  255   2HG1  VAL  29          2HG       VAL  29  -6.007   0.628  -0.931
  256   3HG1  VAL  29          3HG       VAL  29  -5.279   0.279  -2.508
  257   1HG2  VAL  29          1HG       VAL  29  -7.781  -2.067  -2.951
  258   2HG2  VAL  29          2HG       VAL  29  -6.298  -1.521  -3.730
  259   3HG2  VAL  29          3HG       VAL  29  -6.296  -3.066  -2.866
  260    H    TYR  30           H        TYR  30  -2.868  -1.078  -0.105
  261    HA   TYR  30           HA       TYR  30  -3.725  -0.156   2.545
  262   1HB   TYR  30          2HB       TYR  30  -1.269  -1.208   1.222
  263   2HB   TYR  30          3HB       TYR  30  -1.042  -0.019   2.487
  264    HD1  TYR  30           HD1      TYR  30  -0.288  -3.063   2.142
  265    HD2  TYR  30           HD2      TYR  30  -3.212  -0.946   4.376
  266    HE1  TYR  30           HE1      TYR  30  -0.331  -4.927   3.812
  267    HE2  TYR  30           HE2      TYR  30  -3.496  -2.927   5.862
  268    HH   TYR  30           HH       TYR  30  -1.603  -5.843   5.476
  269    H    ASP  31           H        ASP  31  -3.514   1.919   3.136
  270    HA   ASP  31           HA       ASP  31  -2.712   3.899   1.097
  271   1HB   ASP  31          2HB       ASP  31  -5.158   3.847   1.586
  272   2HB   ASP  31          3HB       ASP  31  -4.808   4.182   3.293
  273    H    LEU  32           H        LEU  32  -0.807   4.599   1.723
  274    HA   LEU  32           HA       LEU  32  -0.348   4.992   4.648
  275   1HB   LEU  32          2HB       LEU  32   2.127   4.724   3.170
  276   2HB   LEU  32          3HB       LEU  32   1.525   3.910   4.606
  277    HG   LEU  32           HG       LEU  32   0.708   2.961   1.850
  278   1HD1  LEU  32          1HD       LEU  32   2.499   1.344   2.025
  279   2HD1  LEU  32          2HD       LEU  32   3.145   2.977   1.980
  280   3HD1  LEU  32          3HD       LEU  32   3.084   2.077   3.527
  281   1HD2  LEU  32          1HD       LEU  32   0.704   1.900   4.692
  282   2HD2  LEU  32          2HD       LEU  32  -0.642   1.961   3.543
  283   3HD2  LEU  32          3HD       LEU  32   0.689   0.795   3.331
  284    H    THR  33           H        THR  33  -1.573   6.805   2.554
  285    HA   THR  33           HA       THR  33   0.319   8.744   1.776
  286    HB   THR  33           HB       THR  33  -2.626   8.457   2.002
  287    HG1  THR  33          1HG       THR  33  -0.922  10.025   0.439
  288   1HG2  THR  33          1HG       THR  33  -2.603  10.544   3.292
  289   2HG2  THR  33          2HG       THR  33  -1.465  11.257   2.106
  290   3HG2  THR  33          3HG       THR  33  -3.127  10.819   1.634
  291    H    LYS  34           H        LYS  34  -1.622   8.586   4.778
  292    HA   LYS  34           HA       LYS  34  -0.252  11.023   5.677
  293   1HB   LYS  34          2HB       LYS  34  -2.736  10.145   6.089
  294   2HB   LYS  34          3HB       LYS  34  -2.003   9.331   7.467
  295   1HG   LYS  34          2HG       LYS  34  -1.269  12.236   7.111
  296   2HG   LYS  34          3HG       LYS  34  -2.977  11.909   7.403
  297   1HD   LYS  34          2HD       LYS  34  -2.285  10.486   9.382
  298   2HD   LYS  34          3HD       LYS  34  -0.644  11.154   9.207
  299   1HE   LYS  34          2HE       LYS  34  -1.412  13.388   9.612
  300   2HE   LYS  34          3HE       LYS  34  -3.098  12.927   9.332
  301   1HZ   LYS  34          1HZ       LYS  34  -1.521  12.634  11.721
  302   2HZ   LYS  34          2HZ       LYS  34  -3.153  12.817  11.542
  303   3HZ   LYS  34          3HZ       LYS  34  -2.457  11.338  11.355
  304    H    PHE  35           H        PHE  35   0.716   7.892   5.405
  305    HA   PHE  35           HA       PHE  35   2.244   7.773   7.925
  306   1HB   PHE  35          2HB       PHE  35   0.793   5.880   7.284
  307   2HB   PHE  35          3HB       PHE  35   1.627   5.759   5.759
  308    HD1  PHE  35          1HD       PHE  35   2.608   5.886   9.401
  309    HD2  PHE  35          2HD       PHE  35   3.332   4.161   5.519
  310    HE1  PHE  35          1HE       PHE  35   4.283   4.343  10.375
  311    HE2  PHE  35          2HE       PHE  35   4.818   2.525   6.487
  312    HZ   PHE  35           HZ       PHE  35   5.388   2.624   8.939
  313    H    LEU  36           H        LEU  36   2.423   8.514   4.556
  314    HA   LEU  36           HA       LEU  36   4.935   7.647   3.825
  315   1HB   LEU  36          2HB       LEU  36   3.356  10.181   3.195
  316   2HB   LEU  36          3HB       LEU  36   5.009  10.011   2.612
  317    HG   LEU  36           HG       LEU  36   2.651   8.233   1.910
  318   1HD1  LEU  36          1HD       LEU  36   2.400  10.034   0.550
  319   2HD1  LEU  36          2HD       LEU  36   4.122  10.455   0.548
  320   3HD1  LEU  36          3HD       LEU  36   3.531   9.117  -0.450
  321   1HD2  LEU  36          1HD       LEU  36   5.563   7.729   1.723
  322   2HD2  LEU  36          2HD       LEU  36   4.166   6.619   1.744
  323   3HD2  LEU  36          3HD       LEU  36   4.642   7.441   0.247
  324    H    GLU  37           H        GLU  37   4.297  10.733   5.516
  325    HA   GLU  37           HA       GLU  37   7.151  10.949   6.206
  326   1HB   GLU  37          2HB       GLU  37   4.756  12.731   6.781
  327   2HB   GLU  37          3HB       GLU  37   6.437  13.093   7.238
  328   1HG   GLU  37          2HG       GLU  37   7.091  12.851   4.817
  329   2HG   GLU  37          3HG       GLU  37   5.374  12.736   4.407
  330    H    GLU  38           H        GLU  38   5.554   8.707   7.276
  331    HA   GLU  38           HA       GLU  38   6.321   9.040  10.089
  332   1HB   GLU  38          2HB       GLU  38   3.548   8.912   9.115
  333   2HB   GLU  38          3HB       GLU  38   3.904   7.582  10.210
  334   1HG   GLU  38          2HG       GLU  38   5.028   9.684  11.582
  335   2HG   GLU  38          3HG       GLU  38   3.718  10.506  10.733
  336    H    HIS  39           HN       HIS  39   7.016   7.405   7.409
  337    HA   HIS  39           HA       HIS  39   6.755   4.732   8.528
  338   1HB   HIS  39          2HB       HIS  39   6.134   4.931   6.219
  339   2HB   HIS  39          3HB       HIS  39   7.627   5.744   5.827
  340    HD1  HIS  39           HND      HIS  39   9.240   4.283   4.676
  341    HD2  HIS  39           HD       HIS  39   6.780   2.080   7.182
  342    HE1  HIS  39           HE       HIS  39   9.908   1.931   4.308
  343    HA   PRO  40           HA       PRO  40  10.990   5.225   9.935
  344   1HB   PRO  40          2HB       PRO  40  11.372   2.676  10.909
  345   2HB   PRO  40          3HB       PRO  40  10.514   3.974  11.777
  346   1HG   PRO  40          2HG       PRO  40   9.397   1.633  10.356
  347   2HG   PRO  40          3HG       PRO  40   8.708   2.527  11.740
  348   1HD   PRO  40          2HD       PRO  40   7.984   2.730   9.015
  349   2HD   PRO  40          3HD       PRO  40   7.507   3.855  10.323
  350    H    GLY  41           H        GLY  41  11.955   5.549   7.920
  351   1HA   GLY  41          2HA       GLY  41  13.966   4.033   7.062
  352   2HA   GLY  41          3HA       GLY  41  12.624   3.213   6.238
  353    H    GLY  42           H        GLY  42  11.121   4.672   4.995
  354   1HA   GLY  42          2HA       GLY  42  12.242   7.214   4.072
  355   2HA   GLY  42          3HA       GLY  42  12.283   5.918   2.857
  356    H    GLU  43           H        GLU  43  10.894   8.286   2.721
  357    HA   GLU  43           HA       GLU  43   8.049   7.357   2.647
  358   1HB   GLU  43          2HB       GLU  43   8.915  10.125   1.907
  359   2HB   GLU  43          3HB       GLU  43   7.417   9.557   2.639
  360   1HG   GLU  43          2HG       GLU  43   8.385  10.499   4.502
  361   2HG   GLU  43          3HG       GLU  43   9.052   8.867   4.654
  362    H    GLU  44           H        GLU  44  10.591   8.454   0.481
  363    HA   GLU  44           HA       GLU  44   8.820   8.610  -1.874
  364   1HB   GLU  44          2HB       GLU  44  10.958   9.848  -1.821
  365   2HB   GLU  44          3HB       GLU  44  11.833   8.310  -1.737
  366   1HG   GLU  44          2HG       GLU  44  10.373   7.883  -4.043
  367   2HG   GLU  44          3HG       GLU  44  10.437   9.623  -4.069
  368    H    VAL  45           H        VAL  45  11.020   6.094  -0.455
  369    HA   VAL  45           HA       VAL  45  10.730   4.262  -2.567
  370    HB   VAL  45           HB       VAL  45  11.167   2.548  -0.860
  371   1HG1  VAL  45          1HG       VAL  45  12.790   5.082  -0.398
  372   2HG1  VAL  45          2HG       VAL  45  13.296   3.419  -0.047
  373   3HG1  VAL  45          3HG       VAL  45  13.009   3.920  -1.723
  374   1HG2  VAL  45          1HG       VAL  45  10.087   4.576   1.022
  375   2HG2  VAL  45          2HG       VAL  45  10.223   2.809   1.165
  376   3HG2  VAL  45          3HG       VAL  45  11.601   3.822   1.551
  377    H    LEU  46           H        LEU  46   8.349   5.482  -0.412
  378    HA   LEU  46           HA       LEU  46   6.608   3.044  -0.849
  379   1HB   LEU  46          2HB       LEU  46   5.913   5.701   0.370
  380   2HB   LEU  46          3HB       LEU  46   4.874   4.264   0.356
  381    HG   LEU  46           HG       LEU  46   7.242   4.983   2.028
  382   1HD1  LEU  46          1HD       LEU  46   4.602   4.501   2.606
  383   2HD1  LEU  46          2HD       LEU  46   5.324   2.894   2.959
  384   3HD1  LEU  46          3HD       LEU  46   5.913   4.347   3.767
  385   1HD2  LEU  46          1HD       LEU  46   7.799   2.678   2.600
  386   2HD2  LEU  46          2HD       LEU  46   6.674   2.072   1.352
  387   3HD2  LEU  46          3HD       LEU  46   8.130   2.962   0.903
  388    H    ARG  47           H        ARG  47   7.083   6.214  -2.260
  389    HA   ARG  47           HA       ARG  47   4.727   6.005  -3.970
  390   1HB   ARG  47          2HB       ARG  47   5.847   8.181  -3.094
  391   2HB   ARG  47          3HB       ARG  47   7.060   7.881  -4.351
  392   1HG   ARG  47          2HG       ARG  47   4.902   7.657  -5.919
  393   2HG   ARG  47          3HG       ARG  47   4.090   8.490  -4.616
  394   1HD   ARG  47          2HD       ARG  47   5.116  10.495  -5.152
  395   2HD   ARG  47          3HD       ARG  47   6.681   9.719  -5.374
  396    HE   ARG  47           HE       ARG  47   4.831   9.059  -7.483
  397   1HH1  ARG  47          2HH       ARG  47   7.142  11.458  -6.340
  398   2HH1  ARG  47          1HH       ARG  47   7.579  12.060  -7.899
  399   1HH2  ARG  47          2HH       ARG  47   5.392   9.820  -9.611
  400   2HH2  ARG  47          1HH       ARG  47   6.531  11.105  -9.817
  401    H    GLU  48           H        GLU  48   7.731   4.403  -3.926
  402    HA   GLU  48           HA       GLU  48   8.299   4.557  -6.765
  403   1HB   GLU  48          2HB       GLU  48   9.570   3.668  -4.388
  404   2HB   GLU  48          3HB       GLU  48   9.436   2.230  -5.378
  405   1HG   GLU  48          2HG       GLU  48  10.449   4.885  -6.489
  406   2HG   GLU  48          3HG       GLU  48  11.512   3.842  -5.552
  407    H    GLN  49           H        GLN  49   6.309   2.524  -4.730
  408    HA   GLN  49           HA       GLN  49   5.530   0.873  -7.115
  409   1HB   GLN  49          2HB       GLN  49   5.638   0.267  -4.168
  410   2HB   GLN  49          3HB       GLN  49   4.991  -0.866  -5.377
  411   1HG   GLN  49          2HG       GLN  49   7.857   0.199  -5.413
  412   2HG   GLN  49          3HG       GLN  49   7.337  -1.235  -4.546
  413   1HE2  GLN  49          1HE       GLN  49   9.310  -1.107  -6.787
  414   2HE2  GLN  49          2HE       GLN  49   8.606  -2.257  -7.918
  415    H    ALA  50           H        ALA  50   4.561   3.460  -5.421
  416    HA   ALA  50           HA       ALA  50   2.072   3.012  -4.381
  417   1HB   ALA  50          1HB       ALA  50   3.526   5.274  -5.581
  418   2HB   ALA  50          2HB       ALA  50   1.805   5.398  -5.788
  419   3HB   ALA  50          3HB       ALA  50   2.447   5.234  -4.148
  420    H    GLY  51           H        GLY  51  -0.038   2.946  -5.193
  421   1HA   GLY  51          2HA       GLY  51  -1.704   2.272  -6.559
  422   2HA   GLY  51          3HA       GLY  51  -0.941   3.190  -7.855
  423    H    GLY  52           H        GLY  52   0.840   0.548  -6.231
  424   1HA   GLY  52          2HA       GLY  52   0.388  -1.282  -8.487
  425   2HA   GLY  52          3HA       GLY  52   2.004  -0.587  -8.207
  426    H    ASP  53           H        ASP  53   2.048  -3.172  -8.072
  427    HA   ASP  53           HA       ASP  53   1.285  -4.260  -5.490
  428   1HB   ASP  53          2HB       ASP  53   1.297  -5.428  -7.775
  429   2HB   ASP  53          3HB       ASP  53   3.057  -5.547  -7.557
  430    H    ALA  54           H        ALA  54   2.451  -3.497  -3.765
  431    HA   ALA  54           HA       ALA  54   5.399  -3.328  -4.075
  432   1HB   ALA  54          1HB       ALA  54   4.960  -2.291  -1.609
  433   2HB   ALA  54          2HB       ALA  54   4.921  -1.259  -2.976
  434   3HB   ALA  54          3HB       ALA  54   3.424  -1.841  -2.351
  435    H    THR  55           H        THR  55   3.014  -5.590  -3.125
  436    HA   THR  55           HA       THR  55   3.749  -6.674  -0.764
  437    HB   THR  55           HB       THR  55   3.423  -8.456  -3.217
  438    HG1  THR  55          1HG       THR  55   1.601  -6.581  -2.285
  439   1HG2  THR  55          1HG       THR  55   2.969 -10.019  -1.690
  440   2HG2  THR  55          2HG       THR  55   3.169  -8.830  -0.373
  441   3HG2  THR  55          3HG       THR  55   1.599  -9.063  -1.157
  442    H    GLU  56           H        GLU  56   5.410  -7.604  -3.840
  443    HA   GLU  56           HA       GLU  56   7.362  -9.271  -2.738
  444   1HB   GLU  56          2HB       GLU  56   7.511  -7.230  -4.987
  445   2HB   GLU  56          3HB       GLU  56   8.833  -8.347  -4.622
  446   1HG   GLU  56          2HG       GLU  56   6.053  -9.469  -5.014
  447   2HG   GLU  56          3HG       GLU  56   6.980  -8.954  -6.427
  448    H    ASN  57           H        ASN  57   7.481  -5.633  -3.049
  449    HA   ASN  57           HA       ASN  57  10.023  -5.358  -1.891
  450   1HB   ASN  57          2HB       ASN  57   7.714  -3.386  -1.475
  451   2HB   ASN  57          3HB       ASN  57   9.431  -3.073  -1.484
  452   1HD2  ASN  57          1HD       ASN  57  10.075  -1.984  -3.354
  453   2HD2  ASN  57          2HD       ASN  57   9.310  -2.318  -4.913
  454    H    PHE  58           H        PHE  58   6.826  -4.955  -0.327
  455    HA   PHE  58           HA       PHE  58   7.690  -4.721   2.327
  456   1HB   PHE  58          2HB       PHE  58   5.372  -4.564   1.778
  457   2HB   PHE  58          3HB       PHE  58   5.323  -6.220   1.191
  458    HD1  PHE  58          1HD       PHE  58   5.530  -8.150   2.783
  459    HD2  PHE  58          2HD       PHE  58   5.011  -4.092   4.135
  460    HE1  PHE  58          1HE       PHE  58   4.835  -8.989   4.995
  461    HE2  PHE  58          2HE       PHE  58   4.229  -4.932   6.334
  462    HZ   PHE  58           HZ       PHE  58   4.152  -7.388   6.777
  463    H    GLU  59           H        GLU  59   7.413  -7.832   0.537
  464    HA   GLU  59           HA       GLU  59   8.109  -9.401   2.872
  465   1HB   GLU  59          2HB       GLU  59   7.535  -9.828  -0.022
  466   2HB   GLU  59          3HB       GLU  59   8.621 -11.020   0.681
  467   1HG   GLU  59          2HG       GLU  59   5.997 -10.255   2.020
  468   2HG   GLU  59          3HG       GLU  59   6.085 -11.492   0.766
  469    H    ASP  60           H        ASP  60   9.924  -8.632  -0.086
  470    HA   ASP  60           HA       ASP  60  12.393  -9.749   0.376
  471   1HB   ASP  60          2HB       ASP  60  11.292  -8.020  -1.532
  472   2HB   ASP  60          3HB       ASP  60  12.498  -7.003  -0.785
  473    H    VAL  61           H        VAL  61  11.112  -6.659   1.388
  474    HA   VAL  61           HA       VAL  61  13.225  -5.354   2.419
  475    HB   VAL  61           HB       VAL  61  10.422  -5.335   3.354
  476   1HG1  VAL  61          1HG       VAL  61  11.542  -3.005   4.396
  477   2HG1  VAL  61          2HG       VAL  61  11.124  -4.438   5.328
  478   3HG1  VAL  61          3HG       VAL  61  12.779  -4.192   4.755
  479   1HG2  VAL  61          1HG       VAL  61  11.653  -4.230   1.133
  480   2HG2  VAL  61          2HG       VAL  61  10.144  -3.657   1.862
  481   3HG2  VAL  61          3HG       VAL  61  11.680  -2.877   2.257
  482    H    GLY  62           H        GLY  62  11.078  -7.703   3.980
  483   1HA   GLY  62          2HA       GLY  62  11.973  -9.456   5.357
  484   2HA   GLY  62          3HA       GLY  62  13.055  -8.285   6.125
  485    H    HIS  63           HN       HIS  63  10.121  -6.698   5.667
  486    HA   HIS  63           HA       HIS  63   9.809  -5.879   8.082
  487   1HB   HIS  63          2HB       HIS  63   7.511  -6.621   6.230
  488   2HB   HIS  63          3HB       HIS  63   7.231  -5.741   7.717
  489    HD1  HIS  63           HND      HIS  63   8.698  -5.273   4.287
  490    HD2  HIS  63           HD       HIS  63   7.787  -3.078   7.714
  491    HE1  HIS  63           HE       HIS  63   8.787  -2.868   3.587
  492    H    SER  64           H        SER  64   8.652  -6.209  10.011
  493    HA   SER  64           HA       SER  64   7.967  -9.044  10.585
  494   1HB   SER  64          2HB       SER  64   9.784  -7.868  11.915
  495   2HB   SER  64          3HB       SER  64   8.515  -6.790  12.543
  496    HG   SER  64           HG       SER  64   8.348  -8.374  13.964
  497    H    THR  65           H        THR  65   6.240  -9.105  12.501
  498    HA   THR  65           HA       THR  65   3.830  -8.197  11.497
  499    HB   THR  65           HB       THR  65   4.682  -9.127  14.258
  500    HG1  THR  65          1HG       THR  65   3.488 -10.996  13.231
  501   1HG2  THR  65          1HG       THR  65   2.257  -9.685  14.538
  502   2HG2  THR  65          2HG       THR  65   2.566  -7.949  14.485
  503   3HG2  THR  65          3HG       THR  65   1.916  -8.763  13.043
  504    H    ASP  66           H        ASP  66   6.031  -6.627  13.860
  505    HA   ASP  66           HA       ASP  66   4.388  -4.638  14.920
  506   1HB   ASP  66          2HB       ASP  66   7.209  -5.151  14.601
  507   2HB   ASP  66          3HB       ASP  66   6.942  -3.505  14.057
  508    H    ALA  67           H        ALA  67   5.624  -4.987  11.685
  509    HA   ALA  67           HA       ALA  67   4.801  -2.276  10.847
  510   1HB   ALA  67          1HB       ALA  67   5.717  -3.685   8.658
  511   2HB   ALA  67          2HB       ALA  67   6.823  -2.658   9.678
  512   3HB   ALA  67          3HB       ALA  67   6.757  -4.327   9.972
  513    H    ARG  68           H        ARG  68   4.097  -5.781  10.148
  514    HA   ARG  68           HA       ARG  68   2.183  -5.427   8.293
  515   1HB   ARG  68          2HB       ARG  68   2.868  -7.620   8.983
  516   2HB   ARG  68          3HB       ARG  68   2.143  -7.433  10.582
  517   1HG   ARG  68          2HG       ARG  68   0.243  -7.164   8.295
  518   2HG   ARG  68          3HG       ARG  68   0.947  -8.764   8.553
  519   1HD   ARG  68          2HD       ARG  68   0.271  -8.702  10.936
  520   2HD   ARG  68          3HD       ARG  68  -0.522  -7.145  10.675
  521    HE   ARG  68           HE       ARG  68  -1.469  -9.016   8.758
  522   1HH1  ARG  68          2HH       ARG  68  -1.722  -8.327  12.206
  523   2HH1  ARG  68          1HH       ARG  68  -3.268  -9.068  12.421
  524   1HH2  ARG  68          2HH       ARG  68  -3.554 -10.015   8.997
  525   2HH2  ARG  68          1HH       ARG  68  -4.339 -10.042  10.531
  526    H    GLU  69           H        GLU  69   1.912  -4.960  11.846
  527    HA   GLU  69           HA       GLU  69  -0.913  -4.874  12.205
  528   1HB   GLU  69          2HB       GLU  69   1.468  -4.702  13.897
  529   2HB   GLU  69          3HB       GLU  69   0.432  -3.324  14.226
  530   1HG   GLU  69          2HG       GLU  69  -1.487  -5.169  14.211
  531   2HG   GLU  69          3HG       GLU  69  -0.148  -6.243  14.617
  532    H    LEU  70           H        LEU  70   1.638  -2.212  11.943
  533    HA   LEU  70           HA       LEU  70  -0.181  -0.075  12.122
  534   1HB   LEU  70          2HB       LEU  70   2.417  -0.632  10.678
  535   2HB   LEU  70          3HB       LEU  70   1.610   0.895  10.475
  536    HG   LEU  70           HG       LEU  70   1.977  -0.087  13.233
  537   1HD1  LEU  70          1HD       LEU  70   4.240  -0.297  11.739
  538   2HD1  LEU  70          2HD       LEU  70   4.344   1.421  12.147
  539   3HD1  LEU  70          3HD       LEU  70   4.255   0.188  13.427
  540   1HD2  LEU  70          1HD       LEU  70   0.840   2.040  12.453
  541   2HD2  LEU  70          2HD       LEU  70   2.069   2.249  13.727
  542   3HD2  LEU  70          3HD       LEU  70   2.447   2.647  12.026
  543    H    SER  71           H        SER  71   0.809  -2.269   9.381
  544    HA   SER  71           HA       SER  71  -0.610  -0.897   7.480
  545   1HB   SER  71          2HB       SER  71  -0.891  -3.826   7.395
  546   2HB   SER  71          3HB       SER  71  -0.313  -2.684   6.156
  547    HG   SER  71           HG       SER  71   1.372  -3.931   6.857
  548    H    LYS  72           H        LYS  72  -1.926  -2.970   9.947
  549    HA   LYS  72           HA       LYS  72  -4.494  -3.388   8.870
  550   1HB   LYS  72          2HB       LYS  72  -3.280  -4.310  10.980
  551   2HB   LYS  72          3HB       LYS  72  -3.881  -2.855  11.782
  552   1HG   LYS  72          2HG       LYS  72  -6.090  -4.095  10.389
  553   2HG   LYS  72          3HG       LYS  72  -5.197  -5.358  11.241
  554   1HD   LYS  72          2HD       LYS  72  -5.289  -3.457  13.224
  555   2HD   LYS  72          3HD       LYS  72  -6.764  -3.057  12.314
  556   1HE   LYS  72          2HE       LYS  72  -7.346  -5.533  12.438
  557   2HE   LYS  72          3HE       LYS  72  -5.942  -5.749  13.501
  558   1HZ   LYS  72          1HZ       LYS  72  -8.243  -5.318  14.523
  559   2HZ   LYS  72          2HZ       LYS  72  -6.932  -4.552  15.166
  560   3HZ   LYS  72          3HZ       LYS  72  -7.952  -3.736  14.165
  561    H    THR  73           H        THR  73  -3.138  -0.456  10.365
  562    HA   THR  73           HA       THR  73  -5.779   0.859  10.377
  563    HB   THR  73           HB       THR  73  -4.301   1.111  12.322
  564    HG1  THR  73          1HG       THR  73  -4.841   3.456  10.842
  565   1HG2  THR  73          1HG       THR  73  -2.097   1.413  11.839
  566   2HG2  THR  73          2HG       THR  73  -2.430   2.199  10.291
  567   3HG2  THR  73          3HG       THR  73  -2.559   3.124  11.790
  568    H    PHE  74           H        PHE  74  -3.645   0.204   8.071
  569    HA   PHE  74           HA       PHE  74  -3.851   2.749   6.543
  570   1HB   PHE  74          2HB       PHE  74  -1.992   0.351   6.220
  571   2HB   PHE  74          3HB       PHE  74  -1.973   1.814   5.263
  572    HD1  PHE  74          1HD       PHE  74   0.473   0.755   6.551
  573    HD2  PHE  74          2HD       PHE  74  -2.544   3.474   8.064
  574    HE1  PHE  74          1HE       PHE  74   2.135   1.912   7.926
  575    HE2  PHE  74          2HE       PHE  74  -0.905   4.390   9.634
  576    HZ   PHE  74           HZ       PHE  74   1.408   3.531   9.609
  577    H    ILE  75           H        ILE  75  -4.773  -0.738   6.527
  578    HA   ILE  75           HA       ILE  75  -5.404  -0.842   3.783
  579    HB   ILE  75           HB       ILE  75  -5.637  -2.498   6.078
  580   1HG1  ILE  75          2HG       ILE  75  -6.529  -3.350   3.334
  581   2HG1  ILE  75          3HG       ILE  75  -4.866  -2.918   3.578
  582   1HG2  ILE  75          1HG       ILE  75  -7.820  -3.599   5.762
  583   2HG2  ILE  75          2HG       ILE  75  -7.965  -1.945   6.370
  584   3HG2  ILE  75          3HG       ILE  75  -8.314  -2.309   4.656
  585   1HD1  ILE  75          1HD       ILE  75  -6.373  -5.183   4.931
  586   2HD1  ILE  75          2HD       ILE  75  -4.898  -5.260   3.937
  587   3HD1  ILE  75          3HD       ILE  75  -4.836  -4.597   5.563
  588    H    ILE  76           H        ILE  76  -6.915  -0.036   2.582
  589    HA   ILE  76           HA       ILE  76  -9.244   1.318   3.860
  590    HB   ILE  76           HB       ILE  76  -9.195   2.886   1.959
  591   1HG1  ILE  76          2HG       ILE  76  -6.909   3.073   0.749
  592   2HG1  ILE  76          3HG       ILE  76  -6.598   1.415   1.220
  593   1HG2  ILE  76          1HG       ILE  76  -8.165   3.440   4.121
  594   2HG2  ILE  76          2HG       ILE  76  -6.613   2.842   3.501
  595   3HG2  ILE  76          3HG       ILE  76  -7.387   4.240   2.734
  596   1HD1  ILE  76          1HD       ILE  76  -7.663   2.001  -1.043
  597   2HD1  ILE  76          2HD       ILE  76  -8.490   0.716  -0.140
  598   3HD1  ILE  76          3HD       ILE  76  -9.088   2.418  -0.146
  599    H    GLY  77           H        GLY  77  -8.379  -1.441   2.191
  600   1HA   GLY  77          2HA       GLY  77 -10.789  -2.475   1.830
  601   2HA   GLY  77          3HA       GLY  77 -10.660  -1.479   0.358
  602    H    GLU  78           H        GLU  78 -10.785  -3.806  -0.626
  603    HA   GLU  78           HA       GLU  78  -8.021  -4.773  -0.937
  604   1HB   GLU  78          2HB       GLU  78  -9.210  -6.408   0.406
  605   2HB   GLU  78          3HB       GLU  78 -10.581  -6.395  -0.697
  606   1HG   GLU  78          2HG       GLU  78  -8.060  -7.045  -2.074
  607   2HG   GLU  78          3HG       GLU  78  -8.374  -8.105  -0.690
  608    H    LEU  79           H        LEU  79  -7.385  -4.733  -3.052
  609    HA   LEU  79           HA       LEU  79  -9.129  -3.516  -4.937
  610   1HB   LEU  79          2HB       LEU  79  -7.471  -3.630  -6.449
  611   2HB   LEU  79          3HB       LEU  79  -6.561  -3.610  -4.936
  612    HG   LEU  79           HG       LEU  79  -7.024  -6.005  -6.754
  613   1HD1  LEU  79          1HD       LEU  79  -4.450  -4.651  -6.056
  614   2HD1  LEU  79          2HD       LEU  79  -4.806  -5.728  -7.413
  615   3HD1  LEU  79          3HD       LEU  79  -5.449  -4.072  -7.368
  616   1HD2  LEU  79          1HD       LEU  79  -6.660  -7.115  -4.697
  617   2HD2  LEU  79          2HD       LEU  79  -4.970  -6.713  -5.071
  618   3HD2  LEU  79          3HD       LEU  79  -5.882  -5.707  -3.947
  619    H    HIS  80           H        HIS  80 -10.255  -4.457  -6.710
  620    HA   HIS  80           HA       HIS  80 -11.650  -6.771  -6.176
  621   1HB   HIS  80          2HB       HIS  80 -11.002  -5.292  -8.736
  622   2HB   HIS  80          3HB       HIS  80 -11.836  -6.834  -8.834
  623    HD1  HIS  80           HD1      HIS  80 -14.324  -6.370  -9.201
  624    HD2  HIS  80           HD2      HIS  80 -12.478  -3.813  -6.416
  625    HE1  HIS  80           HE1      HIS  80 -16.151  -4.830  -8.284
  626    HA   PRO  81           HA       PRO  81  -8.877 -10.000  -6.949
  627   1HB   PRO  81          2HB       PRO  81 -10.531 -12.069  -7.738
  628   2HB   PRO  81          3HB       PRO  81 -10.293 -11.496  -6.074
  629   1HG   PRO  81          2HG       PRO  81 -12.618 -11.019  -7.881
  630   2HG   PRO  81          3HG       PRO  81 -12.548 -11.060  -6.093
  631   1HD   PRO  81          2HD       PRO  81 -12.580  -8.755  -7.764
  632   2HD   PRO  81          3HD       PRO  81 -12.258  -8.792  -6.006
  633    H    ASP  82           H        ASP  82 -10.657  -8.542  -9.477
  634    HA   ASP  82           HA       ASP  82 -10.198  -9.960 -11.769
  635   1HB   ASP  82          2HB       ASP  82 -11.361  -7.723 -11.505
  636   2HB   ASP  82          3HB       ASP  82  -9.763  -6.963 -11.479
  637    H    ASP  83           H        ASP  83  -7.866  -7.732 -10.189
  638    HA   ASP  83           HA       ASP  83  -5.715  -9.095 -11.724
  639   1HB   ASP  83          2HB       ASP  83  -6.395  -6.581 -12.259
  640   2HB   ASP  83          3HB       ASP  83  -5.441  -6.237 -10.831
  641    H    ARG  84           H        ARG  84  -6.429 -10.219  -9.645
  642    HA   ARG  84           HA       ARG  84  -4.088  -9.908  -7.866
  643   1HB   ARG  84          2HB       ARG  84  -5.590  -8.385  -6.803
  644   2HB   ARG  84          3HB       ARG  84  -6.920  -9.526  -6.832
  645   1HG   ARG  84          2HG       ARG  84  -4.349 -10.146  -5.379
  646   2HG   ARG  84          3HG       ARG  84  -5.622  -9.158  -4.647
  647   1HD   ARG  84          2HD       ARG  84  -6.843 -10.938  -4.070
  648   2HD   ARG  84          3HD       ARG  84  -6.888 -11.493  -5.714
  649    HE   ARG  84           HE       ARG  84  -4.436 -12.322  -5.095
  650   1HH1  ARG  84          2HH       ARG  84  -7.497 -12.754  -3.423
  651   2HH1  ARG  84          1HH       ARG  84  -7.083 -14.266  -2.689
  652   1HH2  ARG  84          2HH       ARG  84  -3.772 -14.257  -4.014
  653   2HH2  ARG  84          1HH       ARG  84  -4.872 -15.119  -3.000
  654    H    SER  85           H        SER  85  -7.020 -11.727  -8.600
  655    HA   SER  85           HA       SER  85  -5.619 -14.243  -7.921
  656   1HB   SER  85          2HB       SER  85  -6.936 -13.523  -5.892
  657   2HB   SER  85          3HB       SER  85  -8.405 -13.637  -6.846
  658    HG   SER  85           HG       SER  85  -6.558 -15.716  -6.232
  659    H    LYS  86           H        LYS  86  -8.561 -12.799  -9.148
  660    HA   LYS  86           HA       LYS  86  -9.417 -15.003 -10.745
  661   1HB   LYS  86          2HB       LYS  86 -10.692 -12.826  -9.756
  662   2HB   LYS  86          3HB       LYS  86 -10.325 -12.179 -11.345
  663   1HG   LYS  86          2HG       LYS  86 -11.236 -14.568 -12.142
  664   2HG   LYS  86          3HG       LYS  86 -11.940 -14.596 -10.528
  665   1HD   LYS  86          2HD       LYS  86 -13.694 -13.545 -11.454
  666   2HD   LYS  86          3HD       LYS  86 -12.718 -12.072 -11.420
  667   1HE   LYS  86          2HE       LYS  86 -12.323 -13.980 -13.721
  668   2HE   LYS  86          3HE       LYS  86 -13.858 -13.123 -13.675
  669   1HZ   LYS  86          1HZ       LYS  86 -12.712 -11.045 -13.801
  670   2HZ   LYS  86          2HZ       LYS  86 -11.240 -11.729 -13.557
  671   3HZ   LYS  86          3HZ       LYS  86 -12.054 -12.010 -14.945
  672    H    LEU  87           H        LEU  87  -6.962 -15.046 -11.588
  673    HA   LEU  87           HA       LEU  87  -6.769 -13.526 -14.133
  674   1HB   LEU  87          2HB       LEU  87  -4.543 -14.387 -12.247
  675   2HB   LEU  87          3HB       LEU  87  -4.305 -13.577 -13.779
  676    HG   LEU  87           HG       LEU  87  -6.102 -12.161 -11.827
  677   1HD1  LEU  87          1HD       LEU  87  -4.028 -13.189 -10.544
  678   2HD1  LEU  87          2HD       LEU  87  -3.181 -11.815 -11.301
  679   3HD1  LEU  87          3HD       LEU  87  -4.592 -11.552 -10.288
  680   1HD2  LEU  87          1HD       LEU  87  -4.280 -10.351 -12.674
  681   2HD2  LEU  87          2HD       LEU  87  -4.204 -11.446 -14.037
  682   3HD2  LEU  87          3HD       LEU  87  -5.756 -10.730 -13.569
  683    H    SER  88           H        SER  88  -5.138 -14.830 -15.560
  684    HA   SER  88           HA       SER  88  -6.255 -17.458 -15.971
  685   1HB   SER  88          2HB       SER  88  -3.695 -16.167 -17.010
  686   2HB   SER  88          3HB       SER  88  -4.425 -17.657 -17.648
  687    HG   SER  88           HG       SER  88  -5.978 -15.306 -17.463
  688    H    LYS  89           H        LYS  89  -5.573 -19.397 -15.266
  689    HA   LYS  89           HA       LYS  89  -3.377 -20.625 -14.511
  690   1HB   LYS  89          2HB       LYS  89  -2.406 -19.065 -13.103
  691   2HB   LYS  89          3HB       LYS  89  -3.915 -18.599 -12.320
  692   1HG   LYS  89          2HG       LYS  89  -2.831 -21.406 -12.011
  693   2HG   LYS  89          3HG       LYS  89  -2.144 -20.085 -11.075
  694   1HD   LYS  89          2HD       LYS  89  -5.103 -20.113 -10.981
  695   2HD   LYS  89          3HD       LYS  89  -4.375 -21.573 -10.343
  696   1HE   LYS  89          2HE       LYS  89  -3.016 -19.119  -9.424
  697   2HE   LYS  89          3HE       LYS  89  -4.759 -19.041  -9.142
  698   1HZ   LYS  89          1HZ       LYS  89  -2.872 -21.046  -8.128
  699   2HZ   LYS  89          2HZ       LYS  89  -3.904 -20.082  -7.276
  700   3HZ   LYS  89          3HZ       LYS  89  -4.492 -21.333  -8.164
  701    HA   PRO  90           HA       PRO  90  -6.858 -22.445 -11.930
  702   1HB   PRO  90          2HB       PRO  90  -9.317 -21.135 -11.709
  703   2HB   PRO  90          3HB       PRO  90  -7.958 -20.968 -10.569
  704   1HG   PRO  90          2HG       PRO  90  -8.921 -19.053 -12.634
  705   2HG   PRO  90          3HG       PRO  90  -7.981 -18.749 -11.141
  706   1HD   PRO  90          2HD       PRO  90  -7.039 -18.943 -13.834
  707   2HD   PRO  90          3HD       PRO  90  -6.060 -18.736 -12.352
  708    H    MET  91           H        MET  91  -9.432 -23.140 -12.459
  709    HA   MET  91           HA       MET  91  -9.860 -23.118 -15.351
  710   1HB   MET  91          2HB       MET  91  -8.218 -25.029 -14.732
  711   2HB   MET  91          3HB       MET  91  -9.574 -25.774 -13.877
  712   1HG   MET  91          2HG       MET  91  -9.674 -26.698 -16.050
  713   2HG   MET  91          3HG       MET  91 -10.892 -25.416 -16.091
  714   1HE   MET  91          1HE       MET  91 -10.802 -26.014 -18.492
  715   2HE   MET  91          2HE       MET  91 -10.870 -24.252 -18.743
  716   3HE   MET  91          3HE       MET  91  -9.723 -25.239 -19.679
  717    H    GLU  92           H        GLU  92 -11.753 -21.927 -14.711
  718    HA   GLU  92           HA       GLU  92 -13.576 -22.628 -12.705
  719   1HB   GLU  92          2HB       GLU  92 -15.190 -21.314 -13.967
  720   2HB   GLU  92          3HB       GLU  92 -13.602 -20.535 -14.014
  721   1HG   GLU  92          2HG       GLU  92 -13.354 -21.921 -16.292
  722   2HG   GLU  92          3HG       GLU  92 -15.118 -21.947 -16.223
  723    H    THR  93           H        THR  93 -15.465 -23.971 -12.622
  724    HA   THR  93           HA       THR  93 -16.185 -25.500 -14.939
  725    HB   THR  93           HB       THR  93 -14.173 -26.729 -14.244
  726    HG1  THR  93          1HG       THR  93 -16.509 -28.167 -13.578
  727   1HG2  THR  93          1HG       THR  93 -14.991 -26.286 -11.548
  728   2HG2  THR  93          2HG       THR  93 -15.104 -28.031 -11.838
  729   3HG2  THR  93          3HG       THR  93 -13.587 -27.169 -12.144
  730    H    LEU  94           H        LEU  94 -18.202 -26.345 -14.680
  731    HA   LEU  94           HA       LEU  94 -20.249 -26.744 -13.866
  732   1HB   LEU  94          2HB       LEU  94 -18.550 -27.781 -11.952
  733   2HB   LEU  94          3HB       LEU  94 -19.527 -26.701 -10.982
  734    HG   LEU  94           HG       LEU  94 -20.981 -28.513 -12.915
  735   1HD1  LEU  94          1HD       LEU  94 -19.375 -29.526 -10.557
  736   2HD1  LEU  94          2HD       LEU  94 -20.806 -30.382 -11.174
  737   3HD1  LEU  94          3HD       LEU  94 -19.419 -30.113 -12.236
  738   1HD2  LEU  94          1HD       LEU  94 -22.454 -28.788 -10.864
  739   2HD2  LEU  94          2HD       LEU  94 -21.425 -27.585 -10.051
  740   3HD2  LEU  94          3HD       LEU  94 -22.336 -27.141 -11.507
  741    HHA  HEM  95          MHG       HEM  95  11.966  -0.934   8.210
  742    HHB  HEM  95          MHD       HEM  95   5.708  -0.199   9.432
  743    HHC  HEM  95          MHA       HEM  95   4.598  -0.607   3.103
  744    HHD  HEM  95          MHB       HEM  95  10.858  -0.319   1.934
  745   1HMA  HEM  95          1HM       HEM  95   7.052   0.278  11.395
  746   2HMA  HEM  95          2HM       HEM  95   7.080  -1.488  11.455
  747   3HMA  HEM  95          3HM       HEM  95   8.417  -0.565  12.132
  748   1HAA  HEM  95          1HP       HEM  95  11.209  -2.064  10.426
  749   2HAA  HEM  95          2HP       HEM  95  10.456  -1.119  11.687
  750   1HBA  HEM  95          3HP       HEM  95  11.935   0.557  11.549
  751   2HBA  HEM  95          4HP       HEM  95  11.784   0.667   9.810
  752   1HMB  HEM  95          1HM       HEM  95   3.453   0.580   8.859
  753   2HMB  HEM  95          2HM       HEM  95   2.257  -0.331   7.862
  754   3HMB  HEM  95          3HM       HEM  95   3.491  -1.172   8.807
  755    HAB  HEM  95          AHT       HEM  95   2.711  -0.388   3.989
  756   1HBB  HEM  95          CHV       HEM  95   2.257  -2.451   5.665
  757   2HBB  HEM  95          THV       HEM  95   0.900  -1.474   4.898
  758   1HMC  HEM  95          1HM       HEM  95   5.465  -1.975   0.812
  759   2HMC  HEM  95          2HM       HEM  95   4.844  -0.316   0.949
  760   3HMC  HEM  95          3HM       HEM  95   5.953  -0.738  -0.345
  761    HAC  HEM  95          AHT       HEM  95   9.927  -0.502   0.001
  762   1HBC  HEM  95          THV       HEM  95   8.952   0.420  -1.879
  763   2HBC  HEM  95          CHV       HEM  95   7.355   0.683  -0.992
  764   1HMD  HEM  95          1HM       HEM  95  12.879   0.667   2.436
  765   2HMD  HEM  95          2HM       HEM  95  14.225   0.123   3.408
  766   3HMD  HEM  95          3HM       HEM  95  13.292  -1.058   2.464
  767   1HAD  HEM  95          1HP       HEM  95  13.815  -0.771   7.258
  768   2HAD  HEM  95          2HP       HEM  95  14.063   0.703   6.361
  769   1HBD  HEM  95          3HP       HEM  95  14.763  -1.663   4.748
  770   2HBD  HEM  95          4HP       HEM  95  15.534  -1.737   6.323