*HEADER   GUANINE NUCLEOTIDE EXCHANGE FACTOR      20-JAN-99   1B64    
*TITLE    SOLUTION STRUCTURE OF THE GUANINE NUCLEOTIDE EXCHANGE       
*TITLE   2 FACTOR DOMAIN FROM HUMAN ELONGATION FACTOR-ONE BETA,       
*TITLE   3 NMR, 20 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: ELONGATION FACTOR 1-BETA;                        
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: GUANINE EXCHANGE FACTOR DOMAIN;                  
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 BIOLOGICAL_UNIT: MONOMER                                   
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                    
*SOURCE  7 EXPRESSION_SYSTEM_PLASMID: PET11A                          
*KEYWDS   GUANINE NUCLEOTIDE EXCHANGE FACTOR, G-PROTEIN, TRANSLATION  
*KEYWDS  2 ELONGATION                                                 
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   J.M.J.PEREZ,G.SIEGAL,J.KRIEK,K.HARD,J.DIJK,G.W.CANTERS,     
*AUTHOR  2 W.MOLLER                                                   
*REVDAT  1   18-MAY-99 1B64    0                                      
 
  3 VAL  
         HN      3 VAL  HB      3.45                
         HA      4 ALA  HN      2.65                
         HA      4 ALA  QB      6.31                
         HB      4 ALA  HN      4.20                
         QQG     4 ALA  HN      7.62                
         QQG     4 ALA  HA      7.44                
         QQG     5 LYS  HG2     7.37                
         QQG     5 LYS  HG3     7.37                
         QQG     5 LYS  QG      7.20                
         QQG    60 GLU  QG      8.31                
  4 ALA  
         HN      4 ALA  HA      2.62                
         HA      5 LYS  HN      2.80                
         QB     61 ASP  HB2     4.67                
         QB     61 ASP  HB3     4.67                
         QB     61 ASP  QB      4.49                
         QB     62 ASP  HN      6.37                
  5 LYS  
         HN      5 LYS  HB2     3.61                
         HN      5 LYS  HB3     3.61                
         HN      5 LYS  QG      4.61                
         HN      5 LYS  QD      6.38                
         HN      6 SER  HN      4.54                
         HA      5 LYS  HG2     3.61                
         HA      5 LYS  HG3     3.61                
         HA      5 LYS  QD      6.38                
         HA      5 LYS  QE      6.38                
         HA      6 SER  HN      2.52                
         HA     60 GLU  HA      2.80                
         HA     61 ASP  HN      3.05                
         HB2     5 LYS  QE      6.38                
         HB2     6 SER  HN      3.61                
         HB3     5 LYS  QE      6.38                
         HB3     6 SER  HN      3.61                
         QB      5 LYS  QE      5.86                
         QB      6 SER  HN      3.39                
         HG2     6 SER  HN      5.50                
         HG2    60 GLU  HA      4.54                
         HG3     6 SER  HN      5.50                
         HG3    60 GLU  HA      4.54                
         QG     58 VAL  QQG     8.47                
         QG     60 GLU  HA      4.18                
         QG     60 GLU  QB      6.38                
         QD     64 VAL  HN      6.38                
         QE     37 VAL  QQG     6.95                
         QE     60 GLU  HA      4.27                
  6 SER  
         HN      6 SER  HB2     3.86                
         HN      6 SER  HB3     3.86                
         HN      6 SER  QB      3.60                
         HA      7 SER  HN      2.65                
         HA      8 ILE  QD1     6.53                
         HA     90 LYS  HA      2.62                
         HA     91 ILE  HN      3.11                
         HA     91 ILE  HG12    5.34                
         HA     91 ILE  HG13    5.34                
         HB2     7 SER  HN      3.80                
         HB2     8 ILE  HG12    7.25                
         HB2     8 ILE  HG13    7.25                
         HB2     8 ILE  QD1     6.53                
         HB2    59 VAL  QG1     8.25                
         HB2    59 VAL  QG2     8.25                
         HB2    60 GLU  HA      5.50                
         HB3     7 SER  HN      3.80                
         HB3     8 ILE  HG12    7.25                
         HB3     8 ILE  HG13    7.25                
         HB3     8 ILE  QD1     6.53                
         HB3    59 VAL  QG1     8.25                
         HB3    59 VAL  QG2     8.25                
         HB3    60 GLU  HA      5.50                
         QB      7 SER  HN      3.54                
         QB      8 ILE  QG1     6.32                
         QB     59 VAL  QQG     6.36                
         QB     60 GLU  HA      5.18                
         QB     90 LYS  HA      6.38                
  7 SER  
         HN      7 SER  HB2     3.39                
         HN      7 SER  HB3     3.39                
         HN      7 SER  QB      3.15                
         HN     89 ASN  HN      4.26                
         HN     90 LYS  HA      4.41                
         HN     91 ILE  HN      4.57                
         HN     91 ILE  QG2     5.19                
         HN     91 ILE  HG12    5.50                
         HN     91 ILE  HG13    5.50                
         HN     91 ILE  QD1     6.22                
         HA      8 ILE  HN      2.99                
         HA      8 ILE  QG1     5.63                
         HA     58 VAL  HA      2.77                
         HA     58 VAL  QG1     4.85                
         HA     58 VAL  QG2     4.85                
         HA     58 VAL  QQG     4.43                
         HA     59 VAL  HN      3.55                
         HB2     8 ILE  HN      5.50                
         HB2    91 ILE  QG2     4.48                
         HB2    91 ILE  QD1     5.72                
         HB3     8 ILE  HN      5.50                
         HB3    91 ILE  QG2     4.48                
         HB3    91 ILE  QD1     5.72                
         QB     91 ILE  QG2     4.27                
         QB     91 ILE  QD1     5.31                
  8 ILE  
         HN      8 ILE  HB      2.99                
         HN      8 ILE  HG12    5.10                
         HN      8 ILE  HG13    5.10                
         HN      8 ILE  QG1     4.57                
         HN      8 ILE  QD1     6.53                
         HN     57 CYS  HN      4.07                
         HN     58 VAL  HA      3.80                
         HB      8 ILE  HG12    3.02                
         HB      8 ILE  HG13    3.02                
         HB      9 LEU  HN      4.35                
         HB     57 CYS  HN      4.66                
         QG2     9 LEU  HN      4.33                
         QG2    57 CYS  HN      6.53                
         QG2    66 THR  HB      4.79                
         QG2    85 VAL  HA      5.88                
         QG2    87 ALA  HN      6.53                
         QG1    88 PHE  HA      5.69                
         QD1    88 PHE  QD      8.65                
         QD1    88 PHE  HZ      5.75                
  9 LEU  
         HN      9 LEU  HB2     3.36                
         HN      9 LEU  HB3     3.36                
         HN      9 LEU  QB      3.10                
         HN      9 LEU  HG      5.22                
         HN      9 LEU  QD1     6.53                
         HN      9 LEU  QD2     6.53                
         HN      9 LEU  QQD     5.64                
         HN     10 LEU  HN      5.19                
         HN     87 ALA  HN      4.04                
         HN     87 ALA  QB      5.38                
         HA      9 LEU  HG      4.01                
         HA      9 LEU  QD1     5.81                
         HA      9 LEU  QD2     5.81                
         HA     10 LEU  HN      2.49                
         HA     56 GLN  HA      2.83                
         HA     57 CYS  HN      4.07                
         HB2    86 ALA  QB      4.98                
         HB3    86 ALA  QB      4.98                
         QB      9 LEU  HG      2.59                
         QB     10 LEU  HN      5.73                
         QB     86 ALA  HN      6.38                
         QB     86 ALA  QB      4.51                
         QB     87 ALA  HN      4.80                
         QB     87 ALA  QB      5.45                
         HG     54 GLN  HA      4.69                
         HG     54 GLN  QG      4.76                
         QD1    54 GLN  HB2     7.50                
         QD1    54 GLN  HB3     7.50                
         QD1    54 GLN  HE21    6.53                
         QD1    54 GLN  HE22    6.53                
         QD1    56 GLN  HA      6.12                
         QD1    56 GLN  HB2     9.26                
         QD1    56 GLN  HB3     9.26                
         QD1    56 GLN  HG2     8.28                
         QD1    56 GLN  HG3     8.28                
         QD2    54 GLN  HB2     7.50                
         QD2    54 GLN  HB3     7.50                
         QD2    54 GLN  HE21    6.53                
         QD2    54 GLN  HE22    6.53                
         QD2    56 GLN  HA      6.12                
         QD2    56 GLN  HB2     9.26                
         QD2    56 GLN  HB3     9.26                
         QD2    56 GLN  HG2     8.28                
         QD2    56 GLN  HG3     8.28                
         QQD    10 LEU  HN      7.48                
         QQD    42 LYS  QG      8.14                
         QQD    54 GLN  QB      5.80                
         QQD    54 GLN  QG      6.71                
         QQD    54 GLN  QE2     5.94                
         QQD    56 GLN  HA      5.47                
         QQD    56 GLN  QB      7.63                
         QQD    56 GLN  QG      6.99                
         QQD    86 ALA  QB      7.82                
         QQD    87 ALA  HN      8.10                
         QQD    87 ALA  QB      7.95                
 10 LEU  
         HN     10 LEU  HB2     3.61                
         HN     10 LEU  HB3     3.61                
         HN     10 LEU  QB      3.30                
         HN     10 LEU  HG      4.63                
         HN     10 LEU  QD1     5.72                
         HN     10 LEU  QD2     5.72                
         HN     10 LEU  QQD     5.44                
         HN     54 GLN  QG      6.38                
         HN     55 ILE  HN      3.55                
         HN     56 GLN  HA      4.14                
         HA     10 LEU  HG      2.80                
         HA     10 LEU  QD1     5.44                
         HA     10 LEU  QD2     5.44                
         HA     11 ASP  HN      3.14                
         HA     85 VAL  HA      3.21                
         HA     86 ALA  HN      2.87                
         HA     86 ALA  QB      5.94                
         HA     87 ALA  HN      4.60                
         HB2    11 ASP  HN      4.11                
         HB3    11 ASP  HN      4.11                
         QB     10 LEU  HG      2.60                
         QB     11 ASP  HN      3.73                
         QB     55 ILE  QD1     5.67                
         QB     86 ALA  HN      6.38                
         HG     85 VAL  HA      3.48                
         HG     86 ALA  HN      4.88                
         QQD    11 ASP  HN      8.10                
         QQD    38 TRP  HH2     6.30                
         QQD    69 LEU  QQD     9.27                
         QQD    73 ILE  QD1     9.13                
 11 ASP  
         HN     11 ASP  HB2     3.36                
         HN     11 ASP  HB3     3.36                
         HN     11 ASP  QB      3.07                
         HN     83 MET  QE      6.53                
         HN     84 ASP  HN      3.80                
         HN     84 ASP  QB      6.38                
         HN     85 VAL  HA      4.04                
         HN     85 VAL  QQG     6.97                
         HA     12 VAL  HN      2.49                
         HA     53 LEU  HN      5.10                
         HA     54 GLN  HA      2.90                
         HA     54 GLN  QB      5.85                
         HA     54 GLN  QG      6.38                
         HA     55 ILE  HN      3.73                
         HB2    52 LYS  HG2     7.25                
         HB2    52 LYS  HG3     7.25                
         HB2    84 ASP  HB2     5.80                
         HB2    84 ASP  HB3     5.80                
         HB2    86 ALA  QB      5.54                
         HB3    52 LYS  HG2     7.25                
         HB3    52 LYS  HG3     7.25                
         HB3    84 ASP  HB2     5.80                
         HB3    84 ASP  HB3     5.80                
         HB3    86 ALA  QB      5.54                
         QB     52 LYS  QG      5.95                
         QB     52 LYS  QD      7.25                
         QB     84 ASP  HN      5.01                
         QB     84 ASP  QB      4.69                
         QB     86 ALA  QB      5.25                
 12 VAL  
         HN     12 VAL  HB      3.24                
         HN     53 LEU  HN      4.07                
         HN     53 LEU  QQD     8.10                
         HN     54 GLN  HA      3.64                
         HA     13 LYS  HN      2.65                
         HA     83 MET  HA      2.46                
         HA     83 MET  QG      5.38                
         HA     84 ASP  HN      4.69                
         HB     13 LYS  HN      3.89                
         HB     53 LEU  HN      5.31                
         QQG    13 LYS  HN      6.63                
         QQG    19 THR  QG2     8.65                
         QQG    80 VAL  HA      6.85                
         QQG    80 VAL  QQG     9.00                
         QQG    83 MET  HA      6.60                
         QQG    83 MET  HB2     5.98                
         QQG    83 MET  HB3     5.98                
         QQG    83 MET  HG2     6.10                
         QQG    83 MET  HG3     6.10                
         QQG    83 MET  QG      5.84                
 13 LYS  
         HN     13 LYS  HA      2.90                
         HN     13 LYS  HB2     3.02                
         HN     13 LYS  HB3     3.02                
         HN     13 LYS  HG2     5.50                
         HN     13 LYS  HG3     5.50                
         HN     13 LYS  QD      4.83                
         HN     14 PRO  QD      5.79                
         HN     80 VAL  QQG     7.81                
         HN     82 SER  HN      3.98                
         HN     83 MET  HA      3.48                
         HA     13 LYS  QG      3.86                
         HA     13 LYS  QD      6.38                
         HA     13 LYS  QE      6.38                
         HA     14 PRO  QG      5.52                
         HA     14 PRO  HD2     2.65                
         HA     14 PRO  HD3     2.65                
         HB2    13 LYS  QD      3.46                
         HB2    13 LYS  QE      6.38                
         HB2    14 PRO  HD2     4.94                
         HB2    14 PRO  HD3     4.94                
         HB3    13 LYS  QD      3.46                
         HB3    13 LYS  QE      6.38                
         HB3    14 PRO  HD2     4.94                
         HB3    14 PRO  HD3     4.94                
         QB     14 PRO  QD      4.46                
 14 PRO  
         HA     15 TRP  HN      2.96                
         HA     16 ASP  HN      4.91                
         HA     19 THR  QG2     5.66                
         HA     24 LEU  QQD     6.33                
         HA     80 VAL  HA      3.24                
         HA     81 GLN  HN      3.45                
         HA     82 SER  HN      5.50                
         HB2    15 TRP  HN      3.98                
         HB2    16 ASP  HN      4.11                
         HB2    19 THR  HA      5.50                
         HB2    19 THR  QG2     4.85                
         HB2    24 LEU  QD1     7.74                
         HB2    24 LEU  QD2     7.74                
         HB3    15 TRP  HN      3.98                
         HB3    16 ASP  HN      4.11                
         HB3    19 THR  HA      5.50                
         HB3    19 THR  QG2     4.85                
         HB3    24 LEU  QD1     7.74                
         HB3    24 LEU  QD2     7.74                
         QB     15 TRP  HN      3.62                
         QB     16 ASP  HN      3.89                
         QB     19 THR  HA      5.21                
         QB     19 THR  QG2     4.65                
         QB     24 LEU  QQD     5.90                
         HG2    50 ILE  QG2     5.23                
         HG3    50 ILE  QG2     5.23                
         QG     16 ASP  HN      6.38                
         QG     19 THR  QG2     6.35                
         QG     50 ILE  QG2     4.86                
         HD2    21 MET  QE      6.03                
         HD2    50 ILE  QG2     5.54                
         HD3    21 MET  QE      6.03                
         HD3    50 ILE  QG2     5.54                
         QD     21 MET  QE      5.50                
         QD     50 ILE  QG2     5.03                
         QD     50 ILE  QG1     6.38                
         QD     53 LEU  HN      6.38                
 15 TRP  
         HN     15 TRP  HB2     3.73                
         HN     15 TRP  HB3     3.73                
         HN     15 TRP  QB      3.46                
         HN     16 ASP  HN      3.67                
         HN     19 THR  QG2     5.75                
         HN     24 LEU  QQD     8.10                
         HN     81 GLN  HN      4.91                
         HN     81 GLN  QB      6.38                
         HN     81 GLN  QG      6.38                
         HA     15 TRP  HE3     3.70                
         HA     81 GLN  HN      5.22                
         HA     81 GLN  HA      3.55                
         HA     81 GLN  HB2     4.17                
         HA     81 GLN  HB3     4.17                
         HA     81 GLN  QB      3.73                
         HA     81 GLN  HG2     5.34                
         HA     81 GLN  HG3     5.34                
         HA     81 GLN  QG      5.01                
         HB2    16 ASP  HN      4.23                
         HB3    16 ASP  HN      4.23                
         QB     16 ASP  HN      3.89                
         HD1    79 TYR  HA      3.80                
         HE3    81 GLN  HA      4.17                
         HE3    81 GLN  HG2     5.41                
         HE3    81 GLN  HG3     5.41                
         HE1    77 GLU  HA      5.50                
         HE1    78 ASP  HA      5.50                
         HE1    79 TYR  HN      5.50                
         HE1    80 VAL  HN      5.50                
         HZ3    81 GLN  HA      4.69                
         HZ3    81 GLN  HG2     5.13                
         HZ3    81 GLN  HG3     5.13                
         HZ3    81 GLN  QG      4.75                
         HH2    81 GLN  HG2     3.98                
         HH2    81 GLN  HG3     3.98                
         HH2    81 GLN  QG      3.74                
 16 ASP  
         HN     19 THR  HN      4.41                
         HA     50 ILE  QD1     4.51                
         QB     17 ASP  HN      3.71                
         QB     18 GLU  HN      6.07                
         QB     19 THR  HN      6.38                
         QB     50 ILE  QD1     7.28                
 17 ASP  
         HN     17 ASP  HB2     3.36                
         HN     17 ASP  HB3     3.36                
         HN     19 THR  HN      5.47                
         HA     17 ASP  HB2     2.90                
         HA     17 ASP  HB3     2.90                
         HA     17 ASP  QB      2.66                
         HA     50 ILE  HA      3.24                
         HA     50 ILE  QG2     6.31                
         HA     50 ILE  HG12    4.35                
         HA     50 ILE  HG13    4.35                
         HA     50 ILE  QG1     4.17                
         HA     50 ILE  QD1     5.19                
         HB2    50 ILE  QD1     6.00                
         HB3    50 ILE  QD1     6.00                
         QB     50 ILE  HA      5.38                
         QB     50 ILE  QD1     5.68                
 18 GLU  
         HN     18 GLU  HB2     3.67                
         HN     18 GLU  HB3     3.67                
         HN     18 GLU  QB      3.32                
         HN     18 GLU  HG2     4.41                
         HN     18 GLU  HG3     4.41                
         HN     18 GLU  QG      4.20                
         HN     19 THR  HN      3.11                
         HA     18 GLU  HB2     2.80                
         HA     18 GLU  HB3     2.80                
         HA     18 GLU  QB      2.58                
         HA     18 GLU  HG2     3.80                
         HA     18 GLU  HG3     3.80                
         HB2    19 THR  HN      4.48                
         HB3    19 THR  HN      4.48                
         QB     19 THR  HN      4.31                
         QG     19 THR  HN      6.38                
 19 THR  
         HN     20 ASP  HN      4.41                
         HA     19 THR  QG2     3.68                
         HA     20 ASP  HN      2.80                
         QG2    20 ASP  HN      4.82                
         QG2    24 LEU  QQD     9.12                
         QG2    53 LEU  HG      4.76                
         QG2    79 TYR  HA      4.54                
         QG2    79 TYR  HB2     4.79                
         QG2    79 TYR  HB3     4.79                
         QG2    79 TYR  QB      4.57                
         QG2    79 TYR  QD      7.30                
         QG2    79 TYR  QE      8.66                
 20 ASP  
         HN     20 ASP  HB2     3.30                
         HN     20 ASP  HB3     3.30                
         HN     20 ASP  QB      2.99                
         HN     21 MET  HN      4.88                
         HN     79 TYR  QD      7.64                
         HA     21 MET  HN      2.46                
         HB2    23 LYS  HN      5.22                
         HB2    23 LYS  HB2     4.85                
         HB2    23 LYS  HB3     4.85                
         HB3    23 LYS  HN      5.22                
         HB3    23 LYS  HB2     4.85                
         HB3    23 LYS  HB3     4.85                
         QB     23 LYS  HN      5.08                
         QB     23 LYS  QB      4.11                
 21 MET  
         HN     21 MET  HB2     3.55                
         HN     21 MET  HB3     3.55                
         HN     21 MET  QB      3.27                
         HN     21 MET  HG2     3.58                
         HN     21 MET  HG3     3.58                
         HN     21 MET  QG      3.39                
         HN     21 MET  QE      6.53                
         HN     22 ALA  HN      3.67                
         HN     22 ALA  QB      6.53                
         HN     23 LYS  HN      4.20                
         HA     21 MET  HG2     3.95                
         HA     21 MET  HG3     3.95                
         HA     21 MET  QG      3.77                
         HA     21 MET  QE      5.16                
         HA     24 LEU  HN      4.38                
         HA     24 LEU  HB2     3.14                
         HA     24 LEU  HB3     3.14                
         HA     24 LEU  QB      2.88                
         QB     21 MET  QE      4.86                
         QB     43 LEU  QQD     8.97                
         HG2    51 LYS  QD      6.38                
         HG3    51 LYS  QD      6.38                
         QG     43 LEU  QQD     8.82                
         QE     24 LEU  QQD     8.16                
         QE     51 LYS  QB      6.47                
         QE     52 LYS  HA      4.42                
         QE     53 LEU  HN      5.04                
         QE     54 GLN  HN      6.53                
 22 ALA  
         HN     23 LYS  HN      3.17                
         HN     24 LEU  HN      4.35                
         HN     25 GLU  HN      5.03                
         HA     23 LYS  HN      3.61                
         HA     25 GLU  HN      3.70                
         HA     25 GLU  QB      4.49                
         HA     26 GLU  HN      5.03                
 23 LYS  
         HN     23 LYS  HB2     3.52                
         HN     23 LYS  HB3     3.52                
         HN     23 LYS  QB      3.14                
         HN     23 LYS  QG      6.38                
         HN     23 LYS  HD2     4.91                
         HN     23 LYS  HD3     4.91                
         HN     23 LYS  QD      4.77                
         HN     24 LEU  HN      3.52                
         HA     23 LYS  HD2     4.17                
         HA     23 LYS  HD3     4.17                
         HA     23 LYS  QD      3.68                
         HA     23 LYS  QE      6.38                
         HA     26 GLU  HN      3.89                
         HA     26 GLU  QB      3.83                
         HA     26 GLU  HG2     4.97                
         HA     26 GLU  HG3     4.97                
         HA     26 GLU  QG      4.83                
         HA     27 CYS  HN      3.17                
         HB2    23 LYS  HD2     3.39                
         HB2    23 LYS  HD3     3.39                
         HB2    23 LYS  QE      6.38                
         HB2    24 LEU  HN      3.92                
         HB3    23 LYS  HD2     3.39                
         HB3    23 LYS  HD3     3.39                
         HB3    23 LYS  QE      6.38                
         HB3    24 LEU  HN      3.92                
         QB     23 LYS  QD      2.83                
 24 LEU  
         HN     24 LEU  HB2     3.05                
         HN     24 LEU  HB3     3.05                
         HN     24 LEU  HG      4.57                
         HN     24 LEU  QD1     6.53                
         HN     24 LEU  QD2     6.53                
         HN     24 LEU  QQD     6.24                
         HN     25 GLU  HN      4.04                
         HA     24 LEU  HG      3.58                
         HA     24 LEU  QD1     5.60                
         HA     24 LEU  QD2     5.60                
         HA     27 CYS  HN      4.04                
         HA     27 CYS  HB2     4.07                
         HA     27 CYS  HB3     4.07                
         HA     27 CYS  QB      3.82                
         HB2    25 GLU  HN      3.55                
         HB3    25 GLU  HN      3.55                
         QB     24 LEU  HG      2.63                
         QB     25 GLU  HN      3.28                
         HG     25 GLU  HN      5.50                
         HG     79 TYR  HB2     3.80                
         HG     79 TYR  HB3     3.80                
         HG     79 TYR  QB      3.46                
         QD1    79 TYR  HB2     9.67                
         QD1    79 TYR  HB3     9.67                
         QD2    79 TYR  HB2     9.67                
         QD2    79 TYR  HB3     9.67                
         QQD    25 GLU  HN      7.35                
         QQD    79 TYR  QB      7.55                
         QQD    80 VAL  HA      7.54                
 25 GLU  
         HN     25 GLU  HB2     3.05                
         HN     25 GLU  HB3     3.05                
         HN     25 GLU  HG2     4.48                
         HN     25 GLU  HG3     4.48                
         HN     53 LEU  QQD     7.94                
         HA     25 GLU  QB      2.73                
         HA     28 VAL  HN      4.32                
         HA     28 VAL  HB      3.17                
         HA     28 VAL  QQG     6.94                
         HA     29 ARG  HN      5.25                
         HA     53 LEU  QD1     5.10                
         HA     53 LEU  QD2     5.10                
         HA     53 LEU  QQD     4.65                
         HB2    53 LEU  QD1     8.03                
         HB2    53 LEU  QD2     8.03                
         HB3    53 LEU  QD1     8.03                
         HB3    53 LEU  QD2     8.03                
         QB     53 LEU  QQD     6.42                
         QG     53 LEU  QQD     8.45                
         QG     55 ILE  QG2     6.63                
 26 GLU  
         HN     26 GLU  QB      3.90                
         HN     26 GLU  HG2     4.26                
         HN     26 GLU  HG3     4.26                
         HN     26 GLU  QG      4.03                
         HA     26 GLU  QG      4.00                
         HA     29 ARG  HN      4.04                
         HA     29 ARG  QB      4.73                
         HA     30 SER  HN      5.10                
         QB     27 CYS  HN      4.52                
         QG     27 CYS  HN      6.38                
 27 CYS  
         HN     27 CYS  HB2     3.64                
         HN     27 CYS  HB3     3.64                
         HN     27 CYS  QB      3.32                
         HN     28 VAL  HN      3.30                
         HN     28 VAL  QQG     8.09                
         HA     30 SER  HN      3.70                
         HA     30 SER  QB      4.55                
         HB2    28 VAL  HN      3.98                
         HB3    28 VAL  HN      3.98                
         QB     28 VAL  HN      3.56                
         QB     76 PHE  QD      8.50                
 28 VAL  
         HN     28 VAL  HB      3.24                
         HN     29 ARG  HN      4.79                
         HA     30 SER  HN      5.00                
         HA     31 ILE  HN      4.91                
         HA     31 ILE  QG2     5.57                
         HA     31 ILE  QG1     5.85                
         HA     31 ILE  QD1     4.67                
         HB     29 ARG  HN      3.45                
         HB     53 LEU  QQD     7.69                
         HB     73 ILE  QG2     5.47                
         QG1    29 ARG  HN      5.38                
         QG1    31 ILE  QD1     7.56                
         QG1    55 ILE  QD1     6.84                
         QG1    73 ILE  QG1     7.40                
         QG2    29 ARG  HN      5.38                
         QG2    31 ILE  QD1     7.56                
         QG2    55 ILE  QD1     6.84                
         QG2    73 ILE  QG1     7.40                
         QQG    29 ARG  HN      4.76                
         QQG    29 ARG  HA      8.09                
         QQG    30 SER  HN      8.09                
         QQG    38 TRP  HE1     8.09                
         QQG    38 TRP  HZ2     7.28                
         QQG    38 TRP  HH2     6.63                
         QQG    53 LEU  QQD    10.59                
         QQG    55 ILE  HA      6.45                
         QQG    55 ILE  HB      6.38                
         QQG    55 ILE  QG2     7.66                
         QQG    55 ILE  QD1     6.26                
         QQG    73 ILE  QG2     9.12                
         QQG    80 VAL  QQG     8.66                
 29 ARG  
         HN     29 ARG  HB2     3.73                
         HN     29 ARG  HB3     3.73                
         HN     29 ARG  QB      3.41                
         HN     29 ARG  HG2     5.50                
         HN     29 ARG  HG3     5.50                
         HN     29 ARG  QG      5.01                
         HN     30 SER  HN      3.80                
         HA     29 ARG  HB2     3.02                
         HA     29 ARG  HB3     3.02                
         HA     29 ARG  HG2     4.29                
         HA     29 ARG  HG3     4.29                
         HA     29 ARG  QG      3.73                
         HA     31 ILE  HN      5.07                
         HA     38 TRP  HD1     3.73                
         HA     38 TRP  HE1     4.07                
         QG     30 SER  HN      6.38                
 30 SER  
         HN     30 SER  HB2     3.55                
         HN     30 SER  HB3     3.55                
         HN     30 SER  QB      3.28                
         HN     31 ILE  HN      3.48                
         HN     31 ILE  QG1     6.38                
         HN     31 ILE  QD1     6.53                
         HA     30 SER  HB2     2.87                
         HA     30 SER  HB3     2.87                
         HA     30 SER  QB      2.52                
 31 ILE  
         HN     31 ILE  HB      2.87                
         HN     31 ILE  HG12    4.54                
         HN     31 ILE  HG13    4.54                
         HN     31 ILE  QG1     4.02                
         HN     31 ILE  QD1     5.16                
         HN     32 GLN  HN      4.54                
         HN     36 LEU  QQD     8.10                
         HN     38 TRP  HE1     5.07                
         HN     38 TRP  HZ2     5.50                
         HA     31 ILE  HG12    3.89                
         HA     31 ILE  HG13    3.89                
         HA     31 ILE  QG1     3.47                
         HA     32 GLN  HN      2.77                
         HA     32 GLN  QB      5.17                
         HA     38 TRP  HE1     5.50                
         HB     36 LEU  QQD     7.73                
         HB     38 TRP  HD1     5.41                
         HB     38 TRP  HE1     3.55                
         HB     38 TRP  HZ2     3.02                
         QG2    32 GLN  HN      6.53                
         QG2    36 LEU  QQD     7.67                
         QG2    38 TRP  HE1     6.53                
         QG2    38 TRP  HZ2     4.92                
         QG2    38 TRP  HH2     6.16                
         QG2    68 MET  QE      7.06                
         QG2    69 LEU  HN      6.53                
         QG2    69 LEU  QQD     7.26                
         QG2    72 GLN  HB2     5.57                
         QG2    72 GLN  HB3     5.57                
         QG2    72 GLN  QB      5.33                
         QG2    72 GLN  QG      6.54                
         HG12   38 TRP  HE1     5.50                
         HG13   38 TRP  HE1     5.50                
         QG1    32 GLN  HN      6.38                
         QG1    38 TRP  HE1     4.95                
         QD1    38 TRP  HE1     6.53                
         QD1    68 MET  QE      6.69                
         QD1    69 LEU  QQD     8.66                
         QD1    72 GLN  HB2     5.19                
         QD1    72 GLN  HB3     5.19                
         QD1    72 GLN  QB      5.03                
         QD1    72 GLN  QG      7.28                
         QD1    73 ILE  HA      4.88                
         QD1    73 ILE  QG1     6.29                
 32 GLN  
         HN     32 GLN  HB2     3.45                
         HN     32 GLN  HB3     3.45                
         HN     32 GLN  HG2     5.50                
         HN     32 GLN  HG3     5.50                
         HN     36 LEU  QQD     7.20                
         HA     33 ALA  HN      2.90                
         HA     38 TRP  HE1     5.50                
         QB     33 ALA  HN      4.45                
 33 ALA  
         HN     36 LEU  HN      4.88                
         HN     36 LEU  HB2     4.01                
         HN     36 LEU  HB3     4.01                
         HN     36 LEU  QB      3.65                
         HN     36 LEU  HG      5.50                
         HN     36 LEU  QQD     7.48                
         HA     34 ASP  HN      2.52                
         QB     34 ASP  QB      7.40                
         QB     36 LEU  HN      6.53                
         QB     36 LEU  HB2     4.61                
         QB     36 LEU  HB3     4.61                
         QB     36 LEU  QB      4.10                
         QB     36 LEU  HG      5.01                
         QB     36 LEU  QQD     8.10                
         QB     64 VAL  QQG     7.69                
         QB     68 MET  QE      7.21                
 34 ASP  
         HN     34 ASP  HB2     3.11                
         HN     34 ASP  HB3     3.11                
         HA     35 GLY  HN      3.58                
         HA     36 LEU  HN      3.64                
         HB2    35 GLY  HN      4.60                
         HB3    35 GLY  HN      4.60                
         QB     35 GLY  HN      4.38                
 35 GLY  
         HN     36 LEU  HN      3.21                
         HA1    60 GLU  HB2     7.25                
         HA1    60 GLU  HB3     7.25                
         HA1    60 GLU  HG2     5.50                
         HA1    60 GLU  HG3     5.50                
         HA2    60 GLU  HB2     7.25                
         HA2    60 GLU  HB3     7.25                
         HA2    60 GLU  HG2     5.50                
         HA2    60 GLU  HG3     5.50                
         QA     60 GLU  QB      6.07                
         QA     60 GLU  QG      5.17                
         QA     63 LYS  QB      7.25                
 36 LEU  
         HN     36 LEU  HB2     3.08                
         HN     36 LEU  HB3     3.08                
         HN     36 LEU  QB      2.80                
         HN     36 LEU  HG      5.50                
         HN     36 LEU  QQD     7.82                
         HA     36 LEU  HG      4.20                
         HA     37 VAL  HN      3.11                
         HA     59 VAL  HA      3.17                
         HA     59 VAL  QQG     6.60                
         HB2    64 VAL  QQG     6.44                
         HB3    64 VAL  QQG     6.44                
         QB     37 VAL  HN      5.01                
         QB     64 VAL  QQG     6.29                
         HG     37 VAL  HN      4.32                
         HG     37 VAL  HB      5.28                
         HG     38 TRP  HN      5.50                
         HG     38 TRP  HE1     5.50                
         QQD    37 VAL  HN      8.10                
         QQD    38 TRP  HN      8.10                
         QQD    38 TRP  HD1     8.10                
         QQD    38 TRP  HE1     6.70                
         QQD    38 TRP  HZ2     6.67                
         QQD    68 MET  QE      9.12                
         QQD    69 LEU  QQD     8.74                
 37 VAL  
         HN     37 VAL  HB      3.17                
         HN     38 TRP  HN      4.91                
         HN     58 VAL  HB      5.50                
         HN     59 VAL  HA      3.45                
         HN     59 VAL  HB      5.50                
         HA     38 TRP  HN      2.56                
         HA     38 TRP  QB      5.01                
         HB     58 VAL  HN      5.50                
         HB     58 VAL  HB      3.24                
         QQG    38 TRP  HN      6.63                
         QQG    39 GLY  HN      7.62                
 38 TRP  
         HN     38 TRP  HB2     3.48                
         HN     38 TRP  HB3     3.48                
         HN     38 TRP  HD1     5.28                
         HA     57 CYS  HA      3.17                
         HA     57 CYS  HB2     4.94                
         HA     57 CYS  HB3     4.94                
         HA     57 CYS  QB      4.80                
         HB2    39 GLY  HN      5.07                
         HB3    39 GLY  HN      5.07                
         QB     39 GLY  HN      4.73                
         HE3    39 GLY  HN      5.50                
         HE3    55 ILE  HG12    5.50                
         HE3    55 ILE  HG13    5.50                
         HE3    55 ILE  QG1     4.91                
         HE3    55 ILE  QD1     6.47                
         HE3    57 CYS  HB2     5.07                
         HE3    57 CYS  HB3     5.07                
         HE3    57 CYS  QB      4.54                
         HZ3    55 ILE  QG2     5.57                
         HZ3    57 CYS  HB2     5.50                
         HZ3    57 CYS  HB3     5.50                
         HZ2    69 LEU  QQD     6.89                
         HZ2    73 ILE  QD1     6.06                
         HH2    69 LEU  QQD     6.39                
         HH2    73 ILE  QD1     4.48                
 39 GLY  
         HN     40 SER  HN      4.51                
         HN     57 CYS  HA      3.98                
         HN     57 CYS  QB      6.38                
         HN     58 VAL  HN      5.50                
         QA     40 SER  HN      3.12                
         QA     56 GLN  QB      7.00                
         QA     57 CYS  HA      4.92                
 40 SER  
         HN     56 GLN  HB2     5.50                
         HN     56 GLN  HB3     5.50                
         HN     56 GLN  QB      5.08                
         HA     41 SER  HN      2.77                
         QB     41 SER  HN      4.36                
 41 SER  
         HA     41 SER  HB2     2.96                
         HA     41 SER  HB3     2.96                
         HA     42 LYS  HN      2.59                
         HA     43 LEU  QQD     7.32                
         HA     55 ILE  HA      2.80                
         HA     55 ILE  HB      4.29                
         HA     55 ILE  HG12    5.50                
         HA     55 ILE  HG13    5.50                
         HA     55 ILE  QG1     4.97                
         HA     56 GLN  HN      3.39                
         HB2    42 LYS  HN      3.86                
         HB2    55 ILE  HA      4.57                
         HB2    55 ILE  HB      4.23                
         HB2    55 ILE  QG2     6.03                
         HB2    55 ILE  HG12    5.50                
         HB2    55 ILE  HG13    5.50                
         HB3    42 LYS  HN      3.86                
         HB3    55 ILE  HA      4.57                
         HB3    55 ILE  HB      4.23                
         HB3    55 ILE  QG2     6.03                
         HB3    55 ILE  HG12    5.50                
         HB3    55 ILE  HG13    5.50                
         QB     42 LYS  HN      3.48                
         QB     43 LEU  QQD     7.11                
         QB     53 LEU  QQD     8.38                
         QB     55 ILE  HA      4.31                
         QB     55 ILE  QG2     5.75                
         QB     55 ILE  QG1     4.69                
         QB     56 GLN  HN      6.38                
 42 LYS  
         HN     42 LYS  HG2     5.34                
         HN     42 LYS  HG3     5.34                
         HN     42 LYS  QG      5.18                
         HN     42 LYS  QD      6.38                
         HN     43 LEU  HN      4.66                
         HN     54 GLN  HN      4.32                
         HN     54 GLN  QB      6.38                
         HN     55 ILE  HA      4.32                
         HA     42 LYS  QD      6.38                
         HA     42 LYS  QE      6.38                
         HA     43 LEU  HN      2.59                
         HB2    42 LYS  QE      6.38                
         HB2    43 LEU  HN      3.48                
         HB3    42 LYS  QE      6.38                
         HB3    43 LEU  HN      3.48                
         QB     43 LEU  HN      3.31                
         HG2    54 GLN  HB2     7.25                
         HG2    54 GLN  HB3     7.25                
         HG2    54 GLN  HG2     6.82                
         HG2    54 GLN  HG3     6.82                
         HG3    54 GLN  HB2     7.25                
         HG3    54 GLN  HB3     7.25                
         HG3    54 GLN  HG2     6.82                
         HG3    54 GLN  HG3     6.82                
         QG     54 GLN  QB      5.74                
         QG     54 GLN  QG      5.27                
         QE     44 VAL  QQG     7.41                
 43 LEU  
         HN     43 LEU  HB2     3.33                
         HN     43 LEU  HB3     3.33                
         HN     43 LEU  QB      2.99                
         HN     43 LEU  HG      4.63                
         HN     43 LEU  QD1     6.53                
         HN     43 LEU  QD2     6.53                
         HN     43 LEU  QQD     6.16                
         HN     44 VAL  HN      5.07                
         HA     43 LEU  QD1     4.36                
         HA     43 LEU  QD2     4.36                
         HA     43 LEU  QQD     3.76                
         HA     44 VAL  HN      2.59                
         HA     44 VAL  QQG     7.78                
         HA     51 LYS  QB      6.38                
         HA     54 GLN  HN      3.48                
         HB2    43 LEU  HG      2.56                
         HB2    44 VAL  HN      4.20                
         HB3    43 LEU  HG      2.56                
         HB3    44 VAL  HN      4.20                
         QB     43 LEU  HG      2.32                
         QB     44 VAL  HN      3.86                
         QQD    51 LYS  QB      7.14                
         QQD    52 LYS  HN      7.07                
         QQD    53 LEU  HA      6.05                
         QQD    54 GLN  HN      6.73                
 44 VAL  
         HN     44 VAL  HB      3.02                
         HN     51 LYS  QB      5.94                
         HN     52 LYS  HN      3.86                
         HN     52 LYS  HB2     5.00                
         HN     52 LYS  HB3     5.00                
         HN     52 LYS  QB      4.73                
         HA     45 PRO  QD      3.52                
         HB     52 LYS  HN      4.48                
         HB     52 LYS  QD      4.80                
         HB     54 GLN  QB      6.04                
         QG1    45 PRO  HD2     5.29                
         QG1    45 PRO  HD3     5.29                
         QG1    52 LYS  HB2     7.94                
         QG1    52 LYS  HB3     7.94                
         QG1    54 GLN  HB2     9.09                
         QG1    54 GLN  HB3     9.09                
         QG2    45 PRO  HD2     5.29                
         QG2    45 PRO  HD3     5.29                
         QG2    52 LYS  HB2     7.94                
         QG2    52 LYS  HB3     7.94                
         QG2    54 GLN  HB2     9.09                
         QG2    54 GLN  HB3     9.09                
         QQG    45 PRO  QD      4.47                
         QQG    52 LYS  HN      7.13                
         QQG    52 LYS  QB      6.20                
         QQG    52 LYS  QE      8.96                
         QQG    54 GLN  HN      8.09                
         QQG    54 GLN  QB      7.08                
         QQG    54 GLN  QG      8.25                
 45 PRO  
         HA     46 VAL  HN      3.27                
         HA     50 ILE  QG2     6.34                
         HA     51 LYS  HA      2.40                
         HA     51 LYS  QB      6.31                
         HA     51 LYS  HG2     4.51                
         HA     51 LYS  HG3     4.51                
         HA     51 LYS  QG      3.99                
         HA     51 LYS  QD      6.38                
         HA     51 LYS  QE      6.38                
         HB2    46 VAL  HN      3.86                
         HB2    51 LYS  HG2     7.25                
         HB2    51 LYS  HG3     7.25                
         HB3    46 VAL  HN      3.86                
         HB3    51 LYS  HG2     7.25                
         HB3    51 LYS  HG3     7.25                
         QB     46 VAL  HN      3.62                
         QB     51 LYS  QG      5.98                
 46 VAL  
         HN     46 VAL  HB      3.39                
         HN     47 GLY  HN      4.38                
         HN     51 LYS  HA      3.05                
         HN     51 LYS  QB      6.38                
         HA     46 VAL  HB      2.90                
         HB     47 GLY  HN      4.76                
         QQG    50 ILE  HB      6.17                
         QQG    51 LYS  HA      6.76                
         QQG    52 LYS  HN      6.85                
         QQG    52 LYS  HA      7.90                
         QQG    52 LYS  QG      7.91                
         QQG    52 LYS  QD      8.19                
 47 GLY  
         HN     50 ILE  QG2     6.43                
 50 ILE  
         HN     50 ILE  HB      2.83                
         HN     50 ILE  HG12    4.41                
         HN     50 ILE  HG13    4.41                
         HN     50 ILE  QD1     4.76                
         HN     51 LYS  HN      5.00                
         HA     50 ILE  HB      3.02                
         HA     50 ILE  HG12    4.04                
         HA     50 ILE  HG13    4.04                
         HA     50 ILE  QG1     3.81                
         HA     50 ILE  QD1     4.88                
         HA     51 LYS  HN      2.52                
         HB     51 LYS  HN      3.86                
         QG2    50 ILE  QD1     4.46                
         QG2    51 LYS  HN      4.57                
         QG2    51 LYS  HA      6.53                
         QG2    52 LYS  HA      6.43                
         QG1    51 LYS  HN      6.38                
         QD1    51 LYS  HN      6.16                
 51 LYS  
         HN     51 LYS  HG2     5.50                
         HN     51 LYS  HG3     5.50                
         HN     51 LYS  QG      5.29                
         HA     51 LYS  HG2     3.80                
         HA     51 LYS  HG3     3.80                
         HA     51 LYS  QG      3.52                
         HA     51 LYS  QD      6.38                
         HA     52 LYS  HN      2.52                
         QB     51 LYS  QE      7.25                
         QB     52 LYS  HN      5.29                
 52 LYS  
         HN     52 LYS  HB2     3.21                
         HN     52 LYS  HB3     3.21                
         HN     52 LYS  QB      2.94                
         HN     52 LYS  HG2     4.48                
         HN     52 LYS  HG3     4.48                
         HN     52 LYS  QG      4.14                
         HN     52 LYS  QD      6.38                
         HA     52 LYS  QD      6.38                
         HA     53 LEU  HN      3.61                
         HB2    52 LYS  HE2     5.50                
         HB2    52 LYS  HE3     5.50                
         HB3    52 LYS  HE2     5.50                
         HB3    52 LYS  HE3     5.50                
         QG     52 LYS  QE      3.70                
 53 LEU  
         HN     53 LEU  HB2     3.42                
         HN     53 LEU  HB3     3.42                
         HN     53 LEU  QB      3.20                
         HN     53 LEU  HG      5.50                
         HN     53 LEU  QD1     6.53                
         HN     53 LEU  QD2     6.53                
         HN     53 LEU  QQD     5.82                
         HA     55 ILE  QG2     5.85                
         QQD    54 GLN  HN      6.52                
 54 GLN  
         HN     54 GLN  HB2     3.27                
         HN     54 GLN  HB3     3.27                
         HN     54 GLN  QB      3.08                
         HN     54 GLN  HG2     4.60                
         HN     54 GLN  HG3     4.60                
         HN     54 GLN  QG      4.11                
         HA     54 GLN  QG      3.86                
         HA     55 ILE  HN      2.46                
         HA     55 ILE  QD1     5.26                
         HB2    54 GLN  HE21    7.25                
         HB2    54 GLN  HE22    7.25                
         HB2    55 ILE  HN      4.11                
         HB3    54 GLN  HE21    7.25                
         HB3    54 GLN  HE22    7.25                
         HB3    55 ILE  HN      4.11                
         QB     54 GLN  QG      2.45                
         HG2    55 ILE  HN      5.50                
         HG3    55 ILE  HN      5.50                
         HE21   86 ALA  QB      5.97                
         HE22   86 ALA  QB      5.97                
         QE2    86 ALA  QB      5.74                
 55 ILE  
         HN     55 ILE  HB      3.86                
         HN     55 ILE  QG1     6.13                
         HN     55 ILE  QD1     4.23                
         HA     55 ILE  QG1     3.97                
         HA     56 GLN  HN      2.80                
         HB     55 ILE  HG12    3.02                
         HB     55 ILE  HG13    3.02                
         HB     55 ILE  QG1     2.58                
         HB     55 ILE  QD1     3.64                
         HB     56 GLN  HN      3.98                
         QG2    56 GLN  HN      6.53                
         HG12   56 GLN  HN      4.88                
         HG13   56 GLN  HN      4.88                
         QG1    56 GLN  HN      4.42                
         QG1    73 ILE  QD1     7.40                
         QD1    56 GLN  HN      6.53                
 56 GLN  
         HN     56 GLN  HB2     3.39                
         HN     56 GLN  HB3     3.39                
         HN     56 GLN  QB      3.20                
         HN     56 GLN  HG2     5.00                
         HN     56 GLN  HG3     5.00                
         HN     56 GLN  QG      4.70                
         HN     57 CYS  HN      5.19                
         HA     57 CYS  HN      2.62                
         HB2    57 CYS  HN      4.11                
         HB3    57 CYS  HN      4.11                
         QB     57 CYS  HN      3.92                
         HG2    57 CYS  HN      4.85                
         HG2    91 ILE  QD1     4.82                
         HG3    57 CYS  HN      4.85                
         HG3    91 ILE  QD1     4.82                
         QG     58 VAL  QQG     8.96                
 57 CYS  
         HN     57 CYS  HB2     4.07                
         HN     57 CYS  HB3     4.07                
         HN     57 CYS  QB      3.88                
         HN     58 VAL  HN      5.50                
         HA     58 VAL  HN      3.17                
         HB2    58 VAL  HN      3.55                
         HB3    58 VAL  HN      3.55                
         QB     58 VAL  HN      3.13                
 58 VAL  
         HN     58 VAL  HB      2.77                
         HN     59 VAL  HN      4.38                
         HA     59 VAL  HN      2.62                
         HA     59 VAL  QQG     8.09                
         HA     91 ILE  QD1     6.31                
         HB     59 VAL  HN      5.50                
 59 VAL  
         HN     59 VAL  HB      3.92                
         HN     59 VAL  QQG     4.29                
         HA     59 VAL  HB      2.77                
         HA     60 GLU  HN      2.52                
         HB     60 GLU  HN      3.05                
         QG1    60 GLU  HN      6.53                
         QG2    60 GLU  HN      6.53                
         QQG    60 GLU  HN      5.88                
         QQG    61 ASP  HA      6.85                
 60 GLU  
         HN     60 GLU  HB2     3.33                
         HN     60 GLU  HB3     3.33                
         HN     60 GLU  QB      3.12                
         HN     60 GLU  HG2     4.38                
         HN     60 GLU  HG3     4.38                
         HN     60 GLU  QG      3.98                
         HA     60 GLU  HG2     4.23                
         HA     60 GLU  HG3     4.23                
         HA     60 GLU  QG      3.86                
         QB     62 ASP  HN      6.38                
         QG     61 ASP  HN      6.38                
 61 ASP  
         HN     61 ASP  HB2     3.92                
         HN     61 ASP  HB3     3.92                
         HN     61 ASP  QB      3.47                
         HN     62 ASP  HN      4.11                
         HA     61 ASP  HB2     2.99                
         HA     61 ASP  HB3     2.99                
         HA     61 ASP  QB      2.70                
         HA     62 ASP  HN      3.52                
 62 ASP  
         HN     62 ASP  HA      2.77                
         HN     62 ASP  HB2     3.36                
         HN     62 ASP  HB3     3.36                
         HN     62 ASP  QB      3.18                
         HN     63 LYS  HN      3.61                
         HN     63 LYS  QB      6.38                
         HN     64 VAL  HN      4.57                
         HA     63 LYS  HN      3.61                
 63 LYS  
         HN     63 LYS  HB2     3.67                
         HN     63 LYS  HB3     3.67                
         HN     63 LYS  QB      3.32                
         HN     63 LYS  QE      6.38                
         HN     64 VAL  HN      3.17                
         HA     63 LYS  QE      6.38                
         HA     64 VAL  HN      3.52                
         HB2    63 LYS  QE      6.38                
         HB2    64 VAL  HN      3.70                
         HB3    63 LYS  QE      6.38                
         HB3    64 VAL  HN      3.70                
         QB     64 VAL  QQG     6.51                
 64 VAL  
         HN     64 VAL  HB      3.08                
         HA     65 GLY  HN      2.65                
         HB     65 GLY  HN      4.82                
         QQG    68 MET  QB      8.50                
 65 GLY  
         HN     67 ASP  HN      5.00                
         HN     68 MET  HN      4.41                
         HA1    66 THR  HN      3.30                
         HA2    66 THR  HN      3.30                
         QA     66 THR  HN      3.12                
         QA     66 THR  QG2     6.85                
         QA     67 ASP  HN      6.28                
 66 THR  
         HN     66 THR  HB      4.20                
         HN     66 THR  QG2     4.57                
         HA     66 THR  HB      3.02                
         HA     69 LEU  HN      3.64                
         HA     69 LEU  QB      3.90                
         HA     69 LEU  HG      4.35                
         HA     69 LEU  QQD     6.14                
         HA     70 GLU  HN      4.41                
         HA     83 MET  QE      5.94                
         HB     67 ASP  HN      5.50                
         HB     69 LEU  QB      6.10                
         HB     83 MET  QE      5.35                
         QG2    69 LEU  QQD     7.89                
         QG2    83 MET  HG2     6.12                
         QG2    83 MET  HG3     6.12                
         QG2    83 MET  QG      5.83                
         QG2    83 MET  QE      7.56                
         QG2    88 PHE  HZ      5.75                
 67 ASP  
         HN     67 ASP  HB2     3.83                
         HN     67 ASP  HB3     3.83                
         HN     67 ASP  QB      3.65                
         HN     68 MET  HN      3.89                
         HN     70 GLU  QB      6.19                
         HA     67 ASP  HB2     2.77                
         HA     67 ASP  HB3     2.77                
         HA     70 GLU  HN      3.89                
         HA     70 GLU  HB2     3.92                
         HA     70 GLU  HB3     3.92                
         HA     71 GLU  HN      4.41                
         HB2    68 MET  HN      4.63                
         HB3    68 MET  HN      4.63                
         QB     68 MET  HN      4.35                
 68 MET  
         HN     68 MET  HB2     3.11                
         HN     68 MET  HB3     3.11                
         HN     68 MET  HG2     5.16                
         HN     68 MET  HG3     5.16                
         HN     68 MET  QG      4.99                
         HN     69 LEU  HN      3.45                
         HN     69 LEU  HG      5.50                
         HN     70 GLU  HN      4.85                
         HA     68 MET  QG      4.03                
         HA     68 MET  QE      6.09                
         HA     71 GLU  HN      4.14                
         HA     71 GLU  HA      5.50                
         HA     71 GLU  QB      3.99                
         HA     72 GLN  HN      4.51                
         HB2    69 LEU  HN      3.42                
         HB3    69 LEU  HN      3.42                
         QB     69 LEU  HN      3.20                
         HG2    69 LEU  HN      5.50                
         HG3    69 LEU  HN      5.50                
         QE     69 LEU  HA      4.02                
         QE     69 LEU  QQD     9.12                
 69 LEU  
         HN     69 LEU  HB2     3.39                
         HN     69 LEU  HB3     3.39                
         HN     69 LEU  QB      3.09                
         HN     69 LEU  HG      3.86                
         HN     69 LEU  QD1     5.81                
         HN     69 LEU  QD2     5.81                
         HN     69 LEU  QQD     4.88                
         HN     70 GLU  HN      3.58                
         HN     71 GLU  HN      4.72                
         HN     72 GLN  HN      5.50                
         HA     69 LEU  HG      3.70                
         HA     69 LEU  QD1     6.40                
         HA     69 LEU  QD2     6.40                
         HA     71 GLU  HN      5.47                
         HA     72 GLN  HN      3.55                
         HA     72 GLN  QG      6.19                
         HA     73 ILE  HN      4.32                
         HA     73 ILE  QG1     6.38                
         HA     73 ILE  QD1     5.35                
         HB2    69 LEU  HG      2.90                
         HB2    70 GLU  HN      3.92                
         HB3    69 LEU  HG      2.90                
         HB3    70 GLU  HN      3.92                
         QB     69 LEU  HG      2.57                
         QB     70 GLU  HN      3.73                
         HG     70 GLU  HN      4.63                
         QQD    70 GLU  HN      7.85                
 70 GLU  
         HN     70 GLU  HB2     3.11                
         HN     70 GLU  HB3     3.11                
         HN     70 GLU  HG2     4.88                
         HN     70 GLU  HG3     4.88                
         HN     70 GLU  QG      4.24                
         HN     71 GLU  HN      3.48                
         HN     72 GLN  HN      5.44                
         HN     83 MET  QE      5.54                
         HA     70 GLU  HG2     2.96                
         HA     70 GLU  HG3     2.96                
         HA     71 GLU  HN      3.61                
         HA     73 ILE  HB      3.33                
         HA     73 ILE  QD1     6.53                
         HA     74 THR  HN      4.35                
         HA     74 THR  QG2     5.13                
         HA     83 MET  QE      4.23                
         QB     71 GLU  HN      4.55                
         QB     83 MET  QE      7.40                
         QG     71 GLU  HN      5.26                
         QG     74 THR  QG2     5.39                
 71 GLU  
         HN     71 GLU  QB      3.77                
         HN     71 GLU  HG2     3.95                
         HN     71 GLU  HG3     3.95                
         HN     71 GLU  QG      3.76                
         HN     73 ILE  HN      5.50                
         HN     75 ALA  QB      6.53                
         HN     83 MET  QE      6.53                
         HA     71 GLU  HG2     3.92                
         HA     71 GLU  HG3     3.92                
         HA     71 GLU  QG      3.74                
 72 GLN  
         HN     72 GLN  HB2     3.64                
         HN     72 GLN  HB3     3.64                
         HN     72 GLN  QB      3.33                
         HN     72 GLN  QG      4.45                
         HN     73 ILE  HN      3.33                
         HA     75 ALA  HN      3.95                
         HA     75 ALA  QB      4.39                
         HB2    73 ILE  HN      4.63                
         HB3    73 ILE  HN      4.63                
         QB     73 ILE  HN      3.90                
         QG     73 ILE  HN      6.38                
         QG     74 THR  HN      6.38                
 73 ILE  
         HN     73 ILE  HB      2.74                
         HN     73 ILE  QG1     5.57                
         HN     73 ILE  QD1     5.60                
         HN     74 THR  HN      3.73                
         HN     74 THR  QG2     5.60                
         HN     75 ALA  HN      4.54                
         HA     73 ILE  QD1     4.82                
         HA     76 PHE  HN      4.72                
         HA     76 PHE  QD      6.38                
         HA     76 PHE  QE      7.62                
         HB     74 THR  HN      3.24                
         HB     75 ALA  HN      5.31                
         HB     83 MET  QE      6.53                
         QG2    74 THR  HA      5.44                
         QG2    74 THR  QG2     7.56                
         QG2    80 VAL  QQG     6.82                
         QG1    74 THR  HN      6.38                
         QG1    75 ALA  HN      6.38                
 74 THR  
         HN     74 THR  QG2     4.51                
         HN     75 ALA  HN      3.58                
         HN     76 PHE  HN      5.25                
         HN     80 VAL  QQG     8.09                
         HA     74 THR  HB      2.87                
         HA     76 PHE  HN      4.26                
         HA     80 VAL  HB      3.73                
         HA     80 VAL  QG1     5.07                
         HA     80 VAL  QG2     5.07                
         HA     80 VAL  QQG     4.51                
         HB     80 VAL  QQG     8.09                
         HB     83 MET  QE      6.53                
         QG2    80 VAL  QG1     6.47                
         QG2    80 VAL  QG2     6.47                
         QG2    80 VAL  QQG     6.20                
         QG2    83 MET  HB2     5.94                
         QG2    83 MET  HB3     5.94                
         QG2    83 MET  QB      5.52                
 75 ALA  
         HN     76 PHE  HN      3.52                
         HN     76 PHE  QD      7.62                
         HA     77 GLU  QG      6.38                
         QB     77 GLU  HN      6.53                
         QB     80 VAL  QQG     8.68                
 76 PHE  
         HN     76 PHE  HB2     3.24                
         HN     76 PHE  HB3     3.24                
         HN     77 GLU  HN      4.14                
         HN     80 VAL  HB      4.45                
         HN     80 VAL  QG1     6.53                
         HN     80 VAL  QG2     6.53                
         HN     80 VAL  QQG     6.01                
         HA     77 GLU  HN      2.62                
         HA     78 ASP  HN      4.45                
         HB2    77 GLU  HN      5.22                
         HB2    80 VAL  QG1     8.13                
         HB2    80 VAL  QG2     8.13                
         HB3    77 GLU  HN      5.22                
         HB3    80 VAL  QG1     8.13                
         HB3    80 VAL  QG2     8.13                
         QB     79 TYR  QB      7.19                
         QB     79 TYR  QD      7.59                
         QB     80 VAL  QQG     6.34                
         QD     77 GLU  HN      7.62                
         QD     80 VAL  QQG    10.21                
 77 GLU  
         HN     77 GLU  HB2     3.30                
         HN     77 GLU  HB3     3.30                
         HN     77 GLU  QB      3.09                
         HN     77 GLU  QG      4.80                
         HN     78 ASP  HN      3.67                
         HA     79 TYR  HN      5.34                
         HA     80 VAL  HN      4.63                
         HA     80 VAL  QQG     7.75                
         HB2    78 ASP  HN      4.60                
         HB3    78 ASP  HN      4.60                
         QB     78 ASP  HN      4.21                
 78 ASP  
         HN     78 ASP  HB2     3.55                
         HN     78 ASP  HB3     3.55                
         HN     78 ASP  QB      3.27                
         HN     79 TYR  HN      3.73                
         HA     79 TYR  HN      3.21                
         QB     79 TYR  QD      8.52                
 79 TYR  
         HN     79 TYR  HB2     3.67                
         HN     79 TYR  HB3     3.67                
         HN     79 TYR  QB      3.42                
         HN     80 VAL  HN      3.14                
         HN     80 VAL  HB      3.98                
         HB2    80 VAL  HN      4.07                
         HB3    80 VAL  HN      4.07                
         QB     80 VAL  HN      3.79                
         QB     80 VAL  QQG     6.83                
 80 VAL  
         HN     80 VAL  HB      2.71                
         HA     81 GLN  HN      2.68                
         HA     82 SER  HN      3.86                
         QG1    81 GLN  HN      5.32                
         QG1    83 MET  HB2     9.43                
         QG1    83 MET  HB3     9.43                
         QG2    81 GLN  HN      5.32                
         QG2    83 MET  HB2     9.43                
         QG2    83 MET  HB3     9.43                
         QQG    81 GLN  HN      4.89                
         QQG    82 SER  HN      6.20                
         QQG    82 SER  HA      7.07                
         QQG    83 MET  HN      8.09                
         QQG    83 MET  QB      7.52                
 81 GLN  
         HN     81 GLN  HB2     3.45                
         HN     81 GLN  HB3     3.45                
         HN     81 GLN  QB      3.20                
         HN     81 GLN  HG2     4.51                
         HN     81 GLN  HG3     4.51                
         HN     81 GLN  QG      4.31                
         HN     82 SER  HN      3.21                
         HA     81 GLN  HG2     3.58                
         HA     81 GLN  HG3     3.58                
         HA     81 GLN  QG      3.36                
         HB2    81 GLN  HE21    6.80                
         HB2    81 GLN  HE22    6.80                
         HB2    82 SER  HN      4.11                
         HB3    81 GLN  HE21    6.80                
         HB3    81 GLN  HE22    6.80                
         HB3    82 SER  HN      4.11                
         QB     82 SER  HN      3.75                
         HG2    82 SER  HN      5.50                
         HG2    82 SER  QB      6.38                
         HG3    82 SER  HN      5.50                
         HG3    82 SER  QB      6.38                
         QG     82 SER  HN      5.01                
 82 SER  
         HN     83 MET  HN      4.72                
         HA     83 MET  HN      2.56                
         QB     83 MET  HN      4.05                
 83 MET  
         HN     83 MET  HB2     3.36                
         HN     83 MET  HB3     3.36                
         HN     83 MET  HG2     5.50                
         HN     83 MET  HG3     5.50                
         HN     83 MET  QE      6.53                
         HA     83 MET  HB2     3.05                
         HA     83 MET  HB3     3.05                
         HA     83 MET  HG2     3.98                
         HA     83 MET  HG3     3.98                
         HA     83 MET  QG      3.76                
         HA     83 MET  QE      6.25                
         HA     84 ASP  HN      2.52                
         HB2    84 ASP  HN      4.01                
         HB3    84 ASP  HN      4.01                
         QB     84 ASP  HN      3.81                
         HG2    84 ASP  HN      5.50                
         HG3    84 ASP  HN      5.50                
         QG     84 ASP  HN      4.91                
         QE     84 ASP  HN      5.88                
         QE     85 VAL  HN      6.25                
 84 ASP  
         HN     84 ASP  HB2     3.61                
         HN     84 ASP  HB3     3.61                
         HN     84 ASP  QB      3.42                
         HN     85 VAL  QQG     7.59                
         HA     84 ASP  HB2     3.05                
         HA     84 ASP  HB3     3.05                
         HA     85 VAL  HN      2.99                
         HB2    85 VAL  HN      3.33                
         HB3    85 VAL  HN      3.33                
         QB     85 VAL  HN      3.10                
         QB     86 ALA  QB      7.40                
 85 VAL  
         HN     85 VAL  HB      2.80                
         HN     86 ALA  HN      4.63                
         HA     86 ALA  HN      2.71                
         HA     86 ALA  QB      5.91                
         HA     87 ALA  HN      3.86                
         HB     86 ALA  HN      4.97                
         QQG    86 ALA  HN      6.60                
         QQG    86 ALA  QB      8.65                
         QQG    87 ALA  HN      6.48                
         QQG    87 ALA  QB      8.53                
         QQG    88 PHE  HN      7.62                
         QQG    88 PHE  HA      7.13                
         QQG    88 PHE  QB      7.51                
 86 ALA  
         HN     87 ALA  HN      3.17                
         HA     87 ALA  HN      3.45                
 87 ALA  
         HA     88 PHE  HN      2.77                
 88 PHE  
         HN     88 PHE  HB2     3.98                
         HN     88 PHE  HB3     3.98                
         HN     88 PHE  QB      3.73                
         HA     88 PHE  HB2     2.93                
         HA     88 PHE  HB3     2.93                
         HA     89 ASN  HN      2.62                
         HB2    89 ASN  HN      5.50                
         HB3    89 ASN  HN      5.50                
 89 ASN  
         HN     89 ASN  HB2     3.86                
         HN     89 ASN  HB3     3.86                
         HN     89 ASN  QB      3.55                
         HA     89 ASN  HB2     3.05                
         HA     89 ASN  HB3     3.05                
         HA     90 LYS  HN      2.71                
         HB2    90 LYS  HN      3.92                
         HB3    90 LYS  HN      3.92                
         QB     90 LYS  HN      3.71                
 90 LYS  
         HN     90 LYS  HB2     3.36                
         HN     90 LYS  HB3     3.36                
         HN     90 LYS  QB      3.17                
         HA     90 LYS  QD      6.38                
         HA     90 LYS  QE      6.38                
         HA     91 ILE  HN      2.62                
         HB2    90 LYS  QE      6.38                
         HB2    91 ILE  HN      3.83                
         HB3    90 LYS  QE      6.38                
         HB3    91 ILE  HN      3.83                
         QB     91 ILE  HN      3.60                
         QG     91 ILE  HN      6.38                
 91 ILE  
         HN     91 ILE  HB      3.17                
         HN     91 ILE  HG12    4.51                
         HN     91 ILE  HG13    4.51                
         HN     91 ILE  QD1     6.53                
         HA     91 ILE  HB      3.02                
         HA     91 ILE  QG1     3.65                
         HA     91 ILE  QD1     4.48                
         QG2    91 ILE  HG12    3.61                
         QG2    91 ILE  HG13    3.61                
         QG2    91 ILE  QG1     3.41                


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          2HN       MET   1   6.531   5.483  -4.412
    2   2H    MET   1          3HN       MET   1   6.866   4.095  -5.249
    3   3H    MET   1           H        MET   1   5.319   4.408  -4.750
    4    HA   MET   1           HA       MET   1   5.666   3.268  -2.965
    5   1HB   MET   1          1HB       MET   1   8.558   3.329  -3.905
    6   2HB   MET   1          2HB       MET   1   7.988   2.395  -2.501
    7   1HG   MET   1          1HG       MET   1   7.932   0.859  -4.290
    8   2HG   MET   1          2HG       MET   1   6.250   1.375  -4.083
    9   1HE   MET   1          2HE       MET   1   9.477   1.497  -6.020
   10   2HE   MET   1          3HE       MET   1   9.118   2.349  -7.541
   11   3HE   MET   1          1HE       MET   1   9.310   3.269  -6.029
   12    H    LEU   2           H        LEU   2   5.116   4.551  -1.209
   13    HA   LEU   2           HA       LEU   2   6.234   6.961  -0.588
   14   1HB   LEU   2          1HB       LEU   2   4.436   5.071   0.595
   15   2HB   LEU   2          2HB       LEU   2   5.507   5.688   1.838
   16    HG   LEU   2           HG       LEU   2   4.779   7.995   0.518
   17   1HD1  LEU   2          3HD1      LEU   2   3.139   6.594  -0.801
   18   2HD1  LEU   2          1HD1      LEU   2   2.251   6.352   0.723
   19   3HD1  LEU   2          2HD1      LEU   2   2.456   7.993   0.063
   20   1HD2  LEU   2          3HD2      LEU   2   4.157   6.662   3.058
   21   2HD2  LEU   2          1HD2      LEU   2   4.653   8.338   2.724
   22   3HD2  LEU   2          2HD2      LEU   2   2.947   7.864   2.551
   23    H    VAL   3           H        VAL   3   6.841   4.193   1.639
   24    HA   VAL   3           HA       VAL   3   9.703   4.727   1.410
   25    HB   VAL   3           HB       VAL   3   9.362   6.063   3.226
   26   1HG1  VAL   3          2HG1      VAL   3   6.902   4.471   3.571
   27   2HG1  VAL   3          3HG1      VAL   3   7.652   5.011   5.092
   28   3HG1  VAL   3          1HG1      VAL   3   7.201   6.203   3.850
   29   1HG2  VAL   3          2HG2      VAL   3  10.769   3.937   3.746
   30   2HG2  VAL   3          3HG2      VAL   3  10.291   5.007   5.085
   31   3HG2  VAL   3          1HG2      VAL   3   9.403   3.492   4.797
   32    H    ALA   4           H        ALA   4  10.309   2.775   0.561
   33    HA   ALA   4           HA       ALA   4  10.322   0.556   0.231
   34   1HB   ALA   4          1HB       ALA   4  11.366   1.326   2.795
   35   2HB   ALA   4          2HB       ALA   4  10.633  -0.289   2.947
   36   3HB   ALA   4          3HB       ALA   4  11.899   0.003   1.731
   37    H    LYS   5           H        LYS   5   7.816   0.975  -0.199
   38    HA   LYS   5           HA       LYS   5   6.435  -1.003   1.461
   39   1HB   LYS   5          1HB       LYS   5   5.510   1.780   0.761
   40   2HB   LYS   5          2HB       LYS   5   4.356   0.500   1.072
   41   1HG   LYS   5          1HG       LYS   5   6.607   0.856   3.045
   42   2HG   LYS   5          2HG       LYS   5   5.329   2.055   3.048
   43   1HD   LYS   5          1HD       LYS   5   3.937  -0.387   2.908
   44   2HD   LYS   5          2HD       LYS   5   5.272  -0.740   3.987
   45   1HE   LYS   5          1HE       LYS   5   3.444   0.086   5.351
   46   2HE   LYS   5          2HE       LYS   5   4.675   1.333   5.324
   47   1HZ   LYS   5          3HZ       LYS   5   3.296   2.116   3.280
   48   2HZ   LYS   5          1HZ       LYS   5   2.089   1.304   4.021
   49   3HZ   LYS   5          2HZ       LYS   5   2.848   2.524   4.796
   50    H    SER   6           H        SER   6   4.262  -1.628   0.228
   51    HA   SER   6           HA       SER   6   4.542  -1.435  -2.607
   52   1HB   SER   6          1HB       SER   6   6.043  -3.306  -2.250
   53   2HB   SER   6          2HB       SER   6   4.920  -4.084  -1.153
   54    HG   SER   6           HG       SER   6   3.612  -4.701  -2.829
   55    H    SER   7           H        SER   7   2.639  -2.723  -3.689
   56    HA   SER   7           HA       SER   7   0.406  -2.754  -1.813
   57   1HB   SER   7          1HB       SER   7  -0.212  -0.895  -3.025
   58   2HB   SER   7          2HB       SER   7   0.737  -1.352  -4.425
   59    HG   SER   7           HG       SER   7  -1.872  -1.546  -4.219
   60    H    ILE   8           H        ILE   8  -0.796  -4.642  -1.823
   61    HA   ILE   8           HA       ILE   8  -0.539  -6.367  -4.173
   62    HB   ILE   8           HB       ILE   8  -0.115  -7.178  -1.297
   63   1HG1  ILE   8          1HG1      ILE   8   1.831  -7.915  -3.396
   64   2HG1  ILE   8          2HG1      ILE   8   1.713  -6.196  -3.080
   65   1HG2  ILE   8          1HG2      ILE   8  -1.540  -8.810  -2.455
   66   2HG2  ILE   8          2HG2      ILE   8  -0.324  -8.950  -3.748
   67   3HG2  ILE   8          3HG2      ILE   8   0.074  -9.470  -2.092
   68   1HD1  ILE   8          1HD1      ILE   8   1.761  -7.028  -0.518
   69   2HD1  ILE   8          2HD1      ILE   8   2.606  -8.411  -1.257
   70   3HD1  ILE   8          3HD1      ILE   8   3.257  -6.764  -1.447
   71    H    LEU   9           H        LEU   9  -2.534  -6.672  -4.988
   72    HA   LEU   9           HA       LEU   9  -4.791  -6.340  -3.177
   73   1HB   LEU   9          1HB       LEU   9  -4.526  -5.102  -5.383
   74   2HB   LEU   9          2HB       LEU   9  -4.842  -6.632  -6.176
   75    HG   LEU   9           HG       LEU   9  -7.039  -6.744  -4.978
   76   1HD1  LEU   9          2HD1      LEU   9  -5.957  -4.692  -3.418
   77   2HD1  LEU   9          3HD1      LEU   9  -7.231  -3.914  -4.387
   78   3HD1  LEU   9          1HD1      LEU   9  -7.620  -5.323  -3.372
   79   1HD2  LEU   9          3HD2      LEU   9  -6.695  -5.860  -7.322
   80   2HD2  LEU   9          1HD2      LEU   9  -8.175  -5.320  -6.492
   81   3HD2  LEU   9          2HD2      LEU   9  -6.780  -4.224  -6.627
   82    H    LEU  10           H        LEU  10  -6.063  -8.009  -2.501
   83    HA   LEU  10           HA       LEU  10  -5.449 -10.626  -3.686
   84   1HB   LEU  10          1HB       LEU  10  -5.580  -9.679  -0.927
   85   2HB   LEU  10          2HB       LEU  10  -6.585 -11.089  -1.206
   86    HG   LEU  10           HG       LEU  10  -4.527 -12.183  -2.255
   87   1HD1  LEU  10          3HD1      LEU  10  -3.224  -9.759  -1.002
   88   2HD1  LEU  10          1HD1      LEU  10  -2.344 -11.261  -1.378
   89   3HD1  LEU  10          2HD1      LEU  10  -3.114 -10.329  -2.685
   90   1HD2  LEU  10          1HD2      LEU  10  -5.527 -12.465   0.132
   91   2HD2  LEU  10          2HD2      LEU  10  -3.913 -13.119  -0.232
   92   3HD2  LEU  10          3HD2      LEU  10  -4.071 -11.582   0.653
   93    H    ASP  11           H        ASP  11  -7.282 -12.173  -3.760
   94    HA   ASP  11           HA       ASP  11  -9.857 -10.857  -3.664
   95   1HB   ASP  11          1HB       ASP  11  -8.516 -11.235  -6.078
   96   2HB   ASP  11          2HB       ASP  11  -9.506 -12.678  -5.985
   97    H    VAL  12           H        VAL  12 -11.265 -12.246  -2.573
   98    HA   VAL  12           HA       VAL  12 -10.702 -15.121  -2.753
   99    HB   VAL  12           HB       VAL  12 -11.547 -13.605  -0.277
  100   1HG1  VAL  12          2HG1      VAL  12 -11.136 -16.507  -0.923
  101   2HG1  VAL  12          3HG1      VAL  12 -10.743 -15.919   0.711
  102   3HG1  VAL  12          1HG1      VAL  12 -12.392 -15.723   0.066
  103   1HG2  VAL  12          2HG2      VAL  12  -8.840 -14.658  -1.139
  104   2HG2  VAL  12          3HG2      VAL  12  -9.283 -12.995  -0.685
  105   3HG2  VAL  12          1HG2      VAL  12  -9.243 -14.276   0.552
  106    H    LYS  13           H        LYS  13 -12.572 -16.494  -2.668
  107    HA   LYS  13           HA       LYS  13 -15.035 -15.016  -3.265
  108   1HB   LYS  13          1HB       LYS  13 -13.719 -16.785  -4.868
  109   2HB   LYS  13          2HB       LYS  13 -14.825 -17.864  -4.043
  110   1HG   LYS  13          1HG       LYS  13 -16.612 -17.063  -5.200
  111   2HG   LYS  13          2HG       LYS  13 -16.203 -15.402  -4.817
  112   1HD   LYS  13          1HD       LYS  13 -14.520 -15.382  -6.662
  113   2HD   LYS  13          2HD       LYS  13 -14.899 -17.051  -7.036
  114   1HE   LYS  13          1HE       LYS  13 -17.311 -16.344  -7.450
  115   2HE   LYS  13          2HE       LYS  13 -16.813 -14.678  -7.231
  116   1HZ   LYS  13          1HZ       LYS  13 -15.182 -16.129  -9.068
  117   2HZ   LYS  13          2HZ       LYS  13 -16.738 -15.999  -9.546
  118   3HZ   LYS  13          3HZ       LYS  13 -15.867 -14.656  -9.224
  119    HA   PRO  14           HA       PRO  14 -16.546 -16.715   0.429
  120   1HB   PRO  14          1HB       PRO  14 -19.127 -15.835   0.249
  121   2HB   PRO  14          2HB       PRO  14 -17.815 -14.840   0.850
  122   1HG   PRO  14          1HG       PRO  14 -19.185 -14.719  -1.767
  123   2HG   PRO  14          2HG       PRO  14 -18.194 -13.501  -0.990
  124   1HD   PRO  14          1HD       PRO  14 -17.420 -15.220  -3.151
  125   2HD   PRO  14          2HD       PRO  14 -16.395 -14.085  -2.296
  126    H    TRP  15           H        TRP  15 -17.651 -18.482   1.294
  127    HA   TRP  15           HA       TRP  15 -17.972 -20.577  -0.471
  128   1HB   TRP  15          1HB       TRP  15 -18.493 -20.036   2.353
  129   2HB   TRP  15          2HB       TRP  15 -19.622 -21.186   1.664
  130    HD1  TRP  15           HD       TRP  15 -16.769 -21.544   3.627
  131    HE1  TRP  15          1HE       TRP  15 -15.208 -23.610   3.116
  132    HE3  TRP  15          3HE       TRP  15 -18.570 -22.417  -1.047
  133    HZ2  TRP  15          2HZ       TRP  15 -14.909 -25.339   0.865
  134    HZ3  TRP  15          3HZ       TRP  15 -17.591 -24.314  -2.334
  135    HH2  TRP  15           HH       TRP  15 -15.822 -25.750  -1.449
  136    H    ASP  16           H        ASP  16 -20.211 -18.013   0.633
  137    HA   ASP  16           HA       ASP  16 -21.815 -18.285  -1.592
  138   1HB   ASP  16          1HB       ASP  16 -22.403 -20.313   0.182
  139   2HB   ASP  16          2HB       ASP  16 -23.498 -19.067   0.751
  140    H    ASP  17           H        ASP  17 -24.152 -17.092  -0.932
  141    HA   ASP  17           HA       ASP  17 -23.470 -14.571  -0.161
  142   1HB   ASP  17          1HB       ASP  17 -25.706 -14.086  -0.494
  143   2HB   ASP  17          2HB       ASP  17 -25.668 -15.668  -1.244
  144    H    GLU  18           H        GLU  18 -24.260 -17.454   1.725
  145    HA   GLU  18           HA       GLU  18 -25.175 -16.271   4.040
  146   1HB   GLU  18          1HB       GLU  18 -24.794 -18.391   5.077
  147   2HB   GLU  18          2HB       GLU  18 -25.176 -18.749   3.404
  148   1HG   GLU  18          1HG       GLU  18 -22.761 -18.968   2.871
  149   2HG   GLU  18          2HG       GLU  18 -22.337 -18.527   4.513
  150    H    THR  19           H        THR  19 -21.857 -16.840   2.802
  151    HA   THR  19           HA       THR  19 -20.414 -16.375   5.111
  152    HB   THR  19           HB       THR  19 -19.915 -15.854   2.143
  153    HG1  THR  19          1HG       THR  19 -19.243 -17.961   2.389
  154   1HG2  THR  19          1HG2      THR  19 -18.400 -14.391   3.609
  155   2HG2  THR  19          2HG2      THR  19 -17.843 -15.887   4.397
  156   3HG2  THR  19          3HG2      THR  19 -17.537 -15.627   2.662
  157    H    ASP  20           H        ASP  20 -20.910 -14.801   6.541
  158    HA   ASP  20           HA       ASP  20 -22.016 -12.404   5.947
  159   1HB   ASP  20          1HB       ASP  20 -21.003 -13.692   8.220
  160   2HB   ASP  20          2HB       ASP  20 -20.007 -12.254   8.115
  161    H    MET  21           H        MET  21 -21.140 -11.064   4.324
  162    HA   MET  21           HA       MET  21 -18.419 -10.916   3.790
  163   1HB   MET  21          1HB       MET  21 -20.860  -9.211   3.126
  164   2HB   MET  21          2HB       MET  21 -19.270  -8.689   2.603
  165   1HG   MET  21          1HG       MET  21 -19.172 -11.288   1.766
  166   2HG   MET  21          2HG       MET  21 -20.903 -11.030   1.675
  167   1HE   MET  21          2HE       MET  21 -18.421 -11.567  -0.226
  168   2HE   MET  21          3HE       MET  21 -19.766 -11.428  -1.384
  169   3HE   MET  21          1HE       MET  21 -18.312 -10.420  -1.582
  170    H    ALA  22           H        ALA  22 -20.564  -9.069   5.967
  171    HA   ALA  22           HA       ALA  22 -18.908  -6.868   6.387
  172   1HB   ALA  22          1HB       ALA  22 -21.336  -7.171   7.043
  173   2HB   ALA  22          2HB       ALA  22 -20.776  -8.187   8.392
  174   3HB   ALA  22          3HB       ALA  22 -20.302  -6.474   8.313
  175    H    LYS  23           H        LYS  23 -18.946 -10.177   7.770
  176    HA   LYS  23           HA       LYS  23 -16.954  -9.520   9.725
  177   1HB   LYS  23          1HB       LYS  23 -18.881 -11.382   9.656
  178   2HB   LYS  23          2HB       LYS  23 -17.579 -12.344   8.986
  179   1HG   LYS  23          1HG       LYS  23 -16.787 -12.658  11.086
  180   2HG   LYS  23          2HG       LYS  23 -16.405 -10.949  11.162
  181   1HD   LYS  23          1HD       LYS  23 -18.994 -10.695  11.749
  182   2HD   LYS  23          2HD       LYS  23 -18.864 -12.387  12.186
  183   1HE   LYS  23          1HE       LYS  23 -17.829 -11.866  14.139
  184   2HE   LYS  23          2HE       LYS  23 -16.592 -10.956  13.296
  185   1HZ   LYS  23          1HZ       LYS  23 -19.012  -9.535  13.305
  186   2HZ   LYS  23          2HZ       LYS  23 -18.609  -9.946  14.833
  187   3HZ   LYS  23          3HZ       LYS  23 -17.562  -9.094  13.913
  188    H    LEU  24           H        LEU  24 -17.104 -11.211   6.539
  189    HA   LEU  24           HA       LEU  24 -14.427 -12.003   6.516
  190   1HB   LEU  24          1HB       LEU  24 -16.660 -12.307   4.918
  191   2HB   LEU  24          2HB       LEU  24 -15.581 -11.363   3.910
  192    HG   LEU  24           HG       LEU  24 -14.837 -13.986   5.231
  193   1HD1  LEU  24          1HD1      LEU  24 -16.503 -13.537   2.987
  194   2HD1  LEU  24          2HD1      LEU  24 -14.944 -14.138   2.371
  195   3HD1  LEU  24          3HD1      LEU  24 -15.843 -15.078   3.586
  196   1HD2  LEU  24          1HD2      LEU  24 -13.198 -11.966   4.203
  197   2HD2  LEU  24          2HD2      LEU  24 -12.741 -13.644   4.582
  198   3HD2  LEU  24          3HD2      LEU  24 -13.255 -13.211   2.934
  199    H    GLU  25           H        GLU  25 -16.078  -9.002   5.376
  200    HA   GLU  25           HA       GLU  25 -13.732  -7.916   4.302
  201   1HB   GLU  25          1HB       GLU  25 -16.306  -7.309   3.983
  202   2HB   GLU  25          2HB       GLU  25 -16.002  -6.190   5.298
  203   1HG   GLU  25          1HG       GLU  25 -15.575  -4.949   3.292
  204   2HG   GLU  25          2HG       GLU  25 -13.996  -5.316   3.955
  205    H    GLU  26           H        GLU  26 -15.251  -7.906   7.531
  206    HA   GLU  26           HA       GLU  26 -13.599  -5.826   8.504
  207   1HB   GLU  26          1HB       GLU  26 -15.582  -5.981   9.714
  208   2HB   GLU  26          2HB       GLU  26 -15.616  -7.732   9.656
  209   1HG   GLU  26          1HG       GLU  26 -14.265  -7.968  11.521
  210   2HG   GLU  26          2HG       GLU  26 -13.307  -6.550  11.144
  211    H    CYS  27           H        CYS  27 -13.782  -9.391   9.239
  212    HA   CYS  27           HA       CYS  27 -11.658  -9.679  10.816
  213   1HB   CYS  27          1HB       CYS  27 -13.159 -11.510  10.053
  214   2HB   CYS  27          2HB       CYS  27 -12.324 -11.542   8.512
  215    HG   CYS  27           HG       CYS  27 -10.085 -11.410  10.642
  216    H    VAL  28           H        VAL  28 -11.580  -9.670   7.176
  217    HA   VAL  28           HA       VAL  28  -8.923  -9.985   6.764
  218    HB   VAL  28           HB       VAL  28 -10.965  -8.269   5.353
  219   1HG1  VAL  28          3HG1      VAL  28  -8.076  -8.396   4.938
  220   2HG1  VAL  28          1HG1      VAL  28  -8.991  -8.881   3.490
  221   3HG1  VAL  28          2HG1      VAL  28  -9.286  -7.293   4.238
  222   1HG2  VAL  28          2HG2      VAL  28 -10.991 -10.914   5.550
  223   2HG2  VAL  28          3HG2      VAL  28 -11.413 -10.092   4.028
  224   3HG2  VAL  28          1HG2      VAL  28  -9.789 -10.790   4.242
  225    H    ARG  29           H        ARG  29 -10.670  -6.935   7.614
  226    HA   ARG  29           HA       ARG  29  -8.339  -5.392   7.490
  227   1HB   ARG  29          1HB       ARG  29 -11.128  -4.959   7.880
  228   2HB   ARG  29          2HB       ARG  29 -10.362  -4.315   9.319
  229   1HG   ARG  29          1HG       ARG  29  -9.402  -2.574   8.182
  230   2HG   ARG  29          2HG       ARG  29  -8.923  -3.589   6.837
  231   1HD   ARG  29          1HD       ARG  29 -10.748  -2.988   5.605
  232   2HD   ARG  29          2HD       ARG  29 -11.844  -3.292   6.938
  233    HE   ARG  29           HE       ARG  29 -10.362  -0.878   7.449
  234   1HH1  ARG  29          2HH2      ARG  29 -12.957  -2.127   5.428
  235   2HH1  ARG  29          1HH2      ARG  29 -13.725  -0.587   5.240
  236   1HH2  ARG  29          2HH1      ARG  29 -11.376   1.155   7.202
  237   2HH2  ARG  29          1HH1      ARG  29 -12.820   1.294   6.256
  238    H    SER  30           H        SER  30 -10.304  -6.742  10.240
  239    HA   SER  30           HA       SER  30  -9.034  -5.815  12.351
  240   1HB   SER  30          1HB       SER  30  -9.894  -7.628  13.548
  241   2HB   SER  30          2HB       SER  30 -10.877  -7.673  12.098
  242    HG   SER  30           HG       SER  30  -8.536  -9.288  12.649
  243    H    ILE  31           H        ILE  31  -7.879  -8.562  10.291
  244    HA   ILE  31           HA       ILE  31  -5.743  -9.429  11.669
  245    HB   ILE  31           HB       ILE  31  -6.050  -8.941   8.710
  246   1HG1  ILE  31          1HG1      ILE  31  -6.237 -11.543  10.240
  247   2HG1  ILE  31          2HG1      ILE  31  -7.626 -10.507   9.978
  248   1HG2  ILE  31          3HG2      ILE  31  -3.651  -9.055   9.348
  249   2HG2  ILE  31          1HG2      ILE  31  -3.952 -10.657  10.063
  250   3HG2  ILE  31          2HG2      ILE  31  -4.181 -10.404   8.315
  251   1HD1  ILE  31          3HD1      ILE  31  -6.764 -10.572   7.433
  252   2HD1  ILE  31          1HD1      ILE  31  -6.039 -12.103   7.983
  253   3HD1  ILE  31          2HD1      ILE  31  -7.799 -11.860   8.099
  254    H    GLN  32           H        GLN  32  -3.784  -8.687  12.362
  255    HA   GLN  32           HA       GLN  32  -2.869  -6.193  11.191
  256   1HB   GLN  32          1HB       GLN  32  -4.033  -6.374  13.760
  257   2HB   GLN  32          2HB       GLN  32  -2.308  -6.298  14.062
  258   1HG   GLN  32          1HG       GLN  32  -2.145  -4.265  12.607
  259   2HG   GLN  32          2HG       GLN  32  -3.869  -4.340  12.308
  260   1HE2  GLN  32          2HE2      GLN  32  -4.834  -2.697  15.193
  261   2HE2  GLN  32          1HE2      GLN  32  -5.220  -3.373  13.645
  262    H    ALA  33           H        ALA  33  -0.527  -5.845  11.409
  263    HA   ALA  33           HA       ALA  33   1.058  -7.898  12.614
  264   1HB   ALA  33          1HB       ALA  33   0.139  -8.485  10.075
  265   2HB   ALA  33          2HB       ALA  33   1.710  -7.719   9.740
  266   3HB   ALA  33          3HB       ALA  33   1.623  -9.142  10.807
  267    H    ASP  34           H        ASP  34   3.473  -7.411  12.146
  268    HA   ASP  34           HA       ASP  34   3.813  -4.664  12.621
  269   1HB   ASP  34          1HB       ASP  34   5.254  -6.945  13.159
  270   2HB   ASP  34          2HB       ASP  34   6.175  -6.311  11.809
  271    H    GLY  35           H        GLY  35   4.212  -3.044  11.089
  272   1HA   GLY  35          1HA       GLY  35   4.839  -2.051   9.162
  273   2HA   GLY  35          2HA       GLY  35   5.674  -3.518   8.693
  274    H    LEU  36           H        LEU  36   2.415  -4.173   9.603
  275    HA   LEU  36           HA       LEU  36   1.730  -4.481   6.788
  276   1HB   LEU  36          1HB       LEU  36   1.541  -6.451   8.138
  277   2HB   LEU  36          2HB       LEU  36   0.571  -5.612   9.333
  278    HG   LEU  36           HG       LEU  36  -0.476  -5.724   6.537
  279   1HD1  LEU  36          3HD1      LEU  36   0.336  -8.086   7.907
  280   2HD1  LEU  36          1HD1      LEU  36  -1.443  -8.029   7.907
  281   3HD1  LEU  36          2HD1      LEU  36  -0.549  -7.932   6.370
  282   1HD2  LEU  36          3HD2      LEU  36  -1.578  -4.518   8.479
  283   2HD2  LEU  36          1HD2      LEU  36  -2.596  -5.667   7.576
  284   3HD2  LEU  36          2HD2      LEU  36  -1.924  -6.128   9.158
  285    H    VAL  37           H        VAL  37   0.453  -3.038   5.767
  286    HA   VAL  37           HA       VAL  37  -1.158  -1.279   7.483
  287    HB   VAL  37           HB       VAL  37   0.346  -0.816   4.917
  288   1HG1  VAL  37          2HG1      VAL  37  -1.942   0.051   4.595
  289   2HG1  VAL  37          3HG1      VAL  37  -1.787   1.001   6.092
  290   3HG1  VAL  37          1HG1      VAL  37  -0.742   1.362   4.697
  291   1HG2  VAL  37          1HG2      VAL  37   0.312   0.525   7.638
  292   2HG2  VAL  37          2HG2      VAL  37   1.637  -0.402   6.894
  293   3HG2  VAL  37          3HG2      VAL  37   1.167   1.178   6.220
  294    H    TRP  38           H        TRP  38  -3.349  -1.187   7.135
  295    HA   TRP  38           HA       TRP  38  -4.343  -2.939   5.005
  296   1HB   TRP  38          1HB       TRP  38  -5.259  -2.255   7.745
  297   2HB   TRP  38          2HB       TRP  38  -6.506  -2.473   6.532
  298    HD1  TRP  38           HD       TRP  38  -5.089  -4.499   9.064
  299    HE1  TRP  38          1HE       TRP  38  -4.994  -7.088   8.566
  300    HE3  TRP  38          3HE       TRP  38  -5.733  -4.089   4.037
  301    HZ2  TRP  38          2HZ       TRP  38  -5.195  -8.641   6.179
  302    HZ3  TRP  38          3HZ       TRP  38  -5.771  -6.190   2.696
  303    HH2  TRP  38           HH       TRP  38  -5.514  -8.408   3.689
  304    H    GLY  39           H        GLY  39  -5.071  -1.910   3.196
  305   1HA   GLY  39          1HA       GLY  39  -5.649   0.954   3.356
  306   2HA   GLY  39          2HA       GLY  39  -5.389  -0.003   1.910
  307    H    SER  40           H        SER  40  -7.314   0.677   0.855
  308    HA   SER  40           HA       SER  40  -9.780   0.119   2.258
  309   1HB   SER  40          1HB       SER  40 -10.840   1.560   0.735
  310   2HB   SER  40          2HB       SER  40  -9.257   2.292   0.908
  311    HG   SER  40           HG       SER  40  -8.707   0.833  -1.053
  312    H    SER  41           H        SER  41 -11.335  -1.405   1.490
  313    HA   SER  41           HA       SER  41 -10.179  -3.343  -0.319
  314   1HB   SER  41          1HB       SER  41 -11.976  -4.849   0.518
  315   2HB   SER  41          2HB       SER  41 -10.997  -4.205   1.821
  316    HG   SER  41           HG       SER  41 -13.595  -4.131   1.746
  317    H    LYS  42           H        LYS  42 -11.791  -4.434  -1.903
  318    HA   LYS  42           HA       LYS  42 -13.728  -2.457  -2.873
  319   1HB   LYS  42          1HB       LYS  42 -12.040  -4.115  -4.742
  320   2HB   LYS  42          2HB       LYS  42 -13.017  -2.707  -5.105
  321   1HG   LYS  42          1HG       LYS  42 -11.477  -1.329  -3.624
  322   2HG   LYS  42          2HG       LYS  42 -10.460  -2.744  -3.433
  323   1HD   LYS  42          1HD       LYS  42  -9.563  -1.322  -5.227
  324   2HD   LYS  42          2HD       LYS  42 -10.115  -2.840  -5.905
  325   1HE   LYS  42          1HE       LYS  42 -11.537  -1.736  -7.284
  326   2HE   LYS  42          2HE       LYS  42 -12.361  -1.032  -5.907
  327   1HZ   LYS  42          2HZ       LYS  42  -9.893   0.239  -6.321
  328   2HZ   LYS  42          3HZ       LYS  42 -10.767   0.267  -7.701
  329   3HZ   LYS  42          1HZ       LYS  42 -11.394   0.885  -6.325
  330    H    LEU  43           H        LEU  43 -15.458  -3.449  -4.249
  331    HA   LEU  43           HA       LEU  43 -15.852  -6.268  -3.529
  332   1HB   LEU  43          1HB       LEU  43 -17.550  -3.908  -3.017
  333   2HB   LEU  43          2HB       LEU  43 -18.384  -5.304  -3.671
  334    HG   LEU  43           HG       LEU  43 -18.506  -5.291  -1.250
  335   1HD1  LEU  43          1HD1      LEU  43 -17.488  -7.451  -2.823
  336   2HD1  LEU  43          2HD1      LEU  43 -16.768  -7.537  -1.198
  337   3HD1  LEU  43          3HD1      LEU  43 -18.538  -7.502  -1.386
  338   1HD2  LEU  43          3HD2      LEU  43 -15.973  -4.220  -1.303
  339   2HD2  LEU  43          1HD2      LEU  43 -16.828  -4.808   0.144
  340   3HD2  LEU  43          2HD2      LEU  43 -15.684  -5.872  -0.709
  341    H    VAL  44           H        VAL  44 -16.952  -7.559  -5.097
  342    HA   VAL  44           HA       VAL  44 -17.542  -6.259  -7.630
  343    HB   VAL  44           HB       VAL  44 -15.353  -8.239  -7.130
  344   1HG1  VAL  44          3HG1      VAL  44 -17.251  -8.250  -9.426
  345   2HG1  VAL  44          1HG1      VAL  44 -15.519  -8.407  -9.810
  346   3HG1  VAL  44          2HG1      VAL  44 -16.297  -9.575  -8.714
  347   1HG2  VAL  44          3HG2      VAL  44 -15.538  -5.527  -7.968
  348   2HG2  VAL  44          1HG2      VAL  44 -14.081  -6.534  -7.795
  349   3HG2  VAL  44          2HG2      VAL  44 -14.939  -6.472  -9.353
  350    HA   PRO  45           HA       PRO  45 -20.705  -9.214  -6.764
  351   1HB   PRO  45          1HB       PRO  45 -22.675  -7.984  -8.203
  352   2HB   PRO  45          2HB       PRO  45 -22.351  -7.623  -6.519
  353   1HG   PRO  45          1HG       PRO  45 -21.691  -6.026  -8.919
  354   2HG   PRO  45          2HG       PRO  45 -21.765  -5.513  -7.245
  355   1HD   PRO  45          1HD       PRO  45 -19.397  -6.041  -8.772
  356   2HD   PRO  45          2HD       PRO  45 -19.477  -5.641  -7.069
  357    H    VAL  46           H        VAL  46 -21.287 -11.106  -7.709
  358    HA   VAL  46           HA       VAL  46 -20.393 -11.281 -10.484
  359    HB   VAL  46           HB       VAL  46 -19.507 -12.797  -8.687
  360   1HG1  VAL  46          3HG1      VAL  46 -22.392 -13.680  -8.672
  361   2HG1  VAL  46          1HG1      VAL  46 -21.082 -14.800  -8.227
  362   3HG1  VAL  46          2HG1      VAL  46 -21.324 -13.300  -7.301
  363   1HG2  VAL  46          1HG2      VAL  46 -20.673 -13.613 -11.290
  364   2HG2  VAL  46          2HG2      VAL  46 -19.004 -13.744 -10.684
  365   3HG2  VAL  46          3HG2      VAL  46 -20.227 -14.938 -10.188
  366    H    GLY  47           H        GLY  47 -23.223 -10.961  -8.525
  367   1HA   GLY  47          1HA       GLY  47 -25.052 -10.590 -10.433
  368   2HA   GLY  47          2HA       GLY  47 -24.980 -12.341 -10.384
  369    H    TYR  48           H        TYR  48 -24.849  -9.698  -7.879
  370    HA   TYR  48           HA       TYR  48 -25.946  -9.426  -5.972
  371   1HB   TYR  48          1HB       TYR  48 -27.791 -10.111  -8.054
  372   2HB   TYR  48          2HB       TYR  48 -28.285 -11.107  -6.700
  373    HD1  TYR  48          1HD       TYR  48 -27.748  -7.605  -7.805
  374    HD2  TYR  48          2HD       TYR  48 -29.416 -10.166  -4.811
  375    HE1  TYR  48          1HE       TYR  48 -28.996  -5.630  -6.799
  376    HE2  TYR  48          2HE       TYR  48 -30.657  -8.183  -3.816
  377    HH   TYR  48           HH       TYR  48 -30.433  -4.975  -5.325
  378    H    GLY  49           H        GLY  49 -26.953 -10.543  -4.019
  379   1HA   GLY  49          1HA       GLY  49 -27.082 -12.256  -2.553
  380   2HA   GLY  49          2HA       GLY  49 -26.888 -13.390  -3.874
  381    H    ILE  50           H        ILE  50 -24.472 -13.095  -4.954
  382    HA   ILE  50           HA       ILE  50 -22.663 -13.357  -2.659
  383    HB   ILE  50           HB       ILE  50 -22.671 -14.645  -5.385
  384   1HG1  ILE  50          1HG1      ILE  50 -22.396 -16.581  -3.417
  385   2HG1  ILE  50          2HG1      ILE  50 -23.514 -15.443  -2.695
  386   1HG2  ILE  50          2HG2      ILE  50 -20.511 -14.733  -3.260
  387   2HG2  ILE  50          3HG2      ILE  50 -20.589 -15.780  -4.698
  388   3HG2  ILE  50          1HG2      ILE  50 -20.384 -14.021  -4.887
  389   1HD1  ILE  50          3HD1      ILE  50 -23.846 -16.514  -5.531
  390   2HD1  ILE  50          1HD1      ILE  50 -24.601 -17.263  -4.104
  391   3HD1  ILE  50          2HD1      ILE  50 -25.038 -15.602  -4.574
  392    H    LYS  51           H        LYS  51 -20.395 -12.613  -3.011
  393    HA   LYS  51           HA       LYS  51 -20.024 -10.718  -5.151
  394   1HB   LYS  51          1HB       LYS  51 -20.688  -9.878  -2.389
  395   2HB   LYS  51          2HB       LYS  51 -19.289  -9.091  -3.091
  396   1HG   LYS  51          1HG       LYS  51 -20.541  -7.943  -4.636
  397   2HG   LYS  51          2HG       LYS  51 -21.578  -9.317  -4.967
  398   1HD   LYS  51          1HD       LYS  51 -23.143  -8.688  -3.405
  399   2HD   LYS  51          2HD       LYS  51 -21.934  -8.176  -2.245
  400   1HE   LYS  51          1HE       LYS  51 -21.747  -6.014  -3.178
  401   2HE   LYS  51          2HE       LYS  51 -22.323  -6.527  -4.751
  402   1HZ   LYS  51          2HZ       LYS  51 -24.308  -7.014  -2.858
  403   2HZ   LYS  51          3HZ       LYS  51 -23.805  -5.470  -2.686
  404   3HZ   LYS  51          1HZ       LYS  51 -24.349  -5.995  -4.134
  405    H    LYS  52           H        LYS  52 -17.721  -9.810  -5.050
  406    HA   LYS  52           HA       LYS  52 -16.000 -12.019  -4.330
  407   1HB   LYS  52          1HB       LYS  52 -16.071 -10.083  -6.393
  408   2HB   LYS  52          2HB       LYS  52 -14.631  -9.738  -5.457
  409   1HG   LYS  52          1HG       LYS  52 -13.899 -12.101  -5.653
  410   2HG   LYS  52          2HG       LYS  52 -15.371 -12.509  -6.512
  411   1HD   LYS  52          1HD       LYS  52 -14.761 -11.091  -8.399
  412   2HD   LYS  52          2HD       LYS  52 -13.421 -10.388  -7.516
  413   1HE   LYS  52          1HE       LYS  52 -12.032 -12.119  -8.041
  414   2HE   LYS  52          2HE       LYS  52 -13.222 -13.320  -7.582
  415   1HZ   LYS  52          1HZ       LYS  52 -14.326 -12.616  -9.771
  416   2HZ   LYS  52          2HZ       LYS  52 -12.853 -12.031 -10.165
  417   3HZ   LYS  52          3HZ       LYS  52 -13.037 -13.618  -9.821
  418    H    LEU  53           H        LEU  53 -14.211 -11.881  -2.896
  419    HA   LEU  53           HA       LEU  53 -14.542  -9.737  -0.931
  420   1HB   LEU  53          1HB       LEU  53 -14.269 -12.552  -0.734
  421   2HB   LEU  53          2HB       LEU  53 -12.812 -11.846  -0.061
  422    HG   LEU  53           HG       LEU  53 -14.810 -12.327   1.497
  423   1HD1  LEU  53          1HD1      LEU  53 -13.296  -9.713   1.464
  424   2HD1  LEU  53          2HD1      LEU  53 -14.328 -10.221   2.821
  425   3HD1  LEU  53          3HD1      LEU  53 -12.918 -11.204   2.360
  426   1HD2  LEU  53          2HD2      LEU  53 -16.362 -11.056  -0.174
  427   2HD2  LEU  53          3HD2      LEU  53 -16.624 -10.906   1.580
  428   3HD2  LEU  53          1HD2      LEU  53 -15.791  -9.608   0.690
  429    H    GLN  54           H        GLN  54 -13.425  -8.394  -2.722
  430    HA   GLN  54           HA       GLN  54 -10.601  -8.943  -2.858
  431   1HB   GLN  54          1HB       GLN  54 -11.626  -8.305  -4.946
  432   2HB   GLN  54          2HB       GLN  54 -12.413  -6.917  -4.222
  433   1HG   GLN  54          1HG       GLN  54 -10.593  -5.611  -4.588
  434   2HG   GLN  54          2HG       GLN  54  -9.552  -6.737  -3.740
  435   1HE2  GLN  54          2HE2      GLN  54  -9.887  -6.728  -7.846
  436   2HE2  GLN  54          1HE2      GLN  54 -10.978  -5.865  -6.815
  437    H    ILE  55           H        ILE  55  -8.981  -7.673  -1.897
  438    HA   ILE  55           HA       ILE  55  -9.771  -5.241  -0.545
  439    HB   ILE  55           HB       ILE  55  -9.529  -5.891   1.584
  440   1HG1  ILE  55          1HG1      ILE  55  -7.147  -6.492   1.295
  441   2HG1  ILE  55          2HG1      ILE  55  -7.981  -7.518   2.444
  442   1HG2  ILE  55          2HG2      ILE  55 -10.196  -8.527   0.248
  443   2HG2  ILE  55          3HG2      ILE  55 -10.385  -8.191   1.986
  444   3HG2  ILE  55          1HG2      ILE  55 -11.334  -7.271   0.793
  445   1HD1  ILE  55          3HD1      ILE  55  -7.771  -8.339  -0.471
  446   2HD1  ILE  55          1HD1      ILE  55  -6.439  -8.652   0.666
  447   3HD1  ILE  55          2HD1      ILE  55  -8.043  -9.366   0.957
  448    H    GLN  56           H        GLN  56  -7.908  -3.925   0.057
  449    HA   GLN  56           HA       GLN  56  -5.533  -4.805  -1.392
  450   1HB   GLN  56          1HB       GLN  56  -6.640  -2.890  -2.484
  451   2HB   GLN  56          2HB       GLN  56  -6.612  -1.982  -0.986
  452   1HG   GLN  56          1HG       GLN  56  -4.718  -1.149  -2.116
  453   2HG   GLN  56          2HG       GLN  56  -4.018  -2.345  -1.044
  454   1HE2  GLN  56          1HE2      GLN  56  -2.604  -3.634  -1.921
  455   2HE2  GLN  56          2HE2      GLN  56  -2.529  -4.157  -3.569
  456    H    CYS  57           H        CYS  57  -3.464  -4.431  -0.421
  457    HA   CYS  57           HA       CYS  57  -3.551  -3.371   2.293
  458   1HB   CYS  57          1HB       CYS  57  -1.827  -5.306   2.794
  459   2HB   CYS  57          2HB       CYS  57  -3.552  -5.567   2.953
  460    HG   CYS  57           HG       CYS  57  -1.516  -7.169   1.371
  461    H    VAL  58           H        VAL  58  -1.260  -2.802   3.040
  462    HA   VAL  58           HA       VAL  58   0.492  -2.310   0.736
  463    HB   VAL  58           HB       VAL  58  -0.135  -0.402   2.998
  464   1HG1  VAL  58          3HG1      VAL  58   1.856  -0.362   0.748
  465   2HG1  VAL  58          1HG1      VAL  58   1.146   1.166   1.320
  466   3HG1  VAL  58          2HG1      VAL  58   2.049   0.128   2.449
  467   1HG2  VAL  58          1HG2      VAL  58  -1.129  -0.613   0.169
  468   2HG2  VAL  58          2HG2      VAL  58  -2.021  -0.242   1.663
  469   3HG2  VAL  58          3HG2      VAL  58  -0.960   0.986   0.932
  470    H    VAL  59           H        VAL  59   1.935  -3.979   1.164
  471    HA   VAL  59           HA       VAL  59   2.879  -4.332   3.869
  472    HB   VAL  59           HB       VAL  59   4.065  -6.221   2.970
  473   1HG1  VAL  59          3HG1      VAL  59   1.215  -5.891   2.016
  474   2HG1  VAL  59          1HG1      VAL  59   2.105  -7.418   1.815
  475   3HG1  VAL  59          2HG1      VAL  59   1.822  -6.761   3.444
  476   1HG2  VAL  59          1HG2      VAL  59   4.618  -4.938   0.775
  477   2HG2  VAL  59          2HG2      VAL  59   4.394  -6.703   0.713
  478   3HG2  VAL  59          3HG2      VAL  59   3.083  -5.621   0.184
  479    H    GLU  60           H        GLU  60   5.388  -4.576   4.115
  480    HA   GLU  60           HA       GLU  60   6.458  -2.088   3.128
  481   1HB   GLU  60          1HB       GLU  60   6.717  -3.628   5.538
  482   2HB   GLU  60          2HB       GLU  60   8.311  -3.517   4.820
  483   1HG   GLU  60          1HG       GLU  60   7.207  -0.921   4.526
  484   2HG   GLU  60          2HG       GLU  60   6.724  -1.430   6.131
  485    H    ASP  61           H        ASP  61   6.684  -2.843   0.868
  486    HA   ASP  61           HA       ASP  61   7.878  -3.527  -0.806
  487   1HB   ASP  61          1HB       ASP  61   9.925  -2.674  -0.110
  488   2HB   ASP  61          2HB       ASP  61   9.903  -3.559   1.401
  489    H    ASP  62           H        ASP  62   9.424  -5.695   1.665
  490    HA   ASP  62           HA       ASP  62   7.869  -7.900   0.616
  491   1HB   ASP  62          1HB       ASP  62  10.411  -7.502  -0.306
  492   2HB   ASP  62          2HB       ASP  62  10.779  -8.420   1.140
  493    H    LYS  63           H        LYS  63   7.988  -6.225   3.143
  494    HA   LYS  63           HA       LYS  63   9.226  -7.957   5.090
  495   1HB   LYS  63          1HB       LYS  63   9.093  -5.352   5.079
  496   2HB   LYS  63          2HB       LYS  63   7.478  -5.587   5.718
  497   1HG   LYS  63          1HG       LYS  63   8.269  -6.665   7.688
  498   2HG   LYS  63          2HG       LYS  63   9.820  -7.054   6.969
  499   1HD   LYS  63          1HD       LYS  63   9.152  -4.136   7.137
  500   2HD   LYS  63          2HD       LYS  63   9.432  -4.946   8.666
  501   1HE   LYS  63          1HE       LYS  63  11.557  -4.043   7.837
  502   2HE   LYS  63          2HE       LYS  63  11.631  -5.794   7.813
  503   1HZ   LYS  63          2HZ       LYS  63  10.989  -5.672   5.459
  504   2HZ   LYS  63          3HZ       LYS  63  11.098  -4.043   5.516
  505   3HZ   LYS  63          1HZ       LYS  63  12.426  -4.960   5.764
  506    H    VAL  64           H        VAL  64   5.872  -6.748   4.377
  507    HA   VAL  64           HA       VAL  64   4.860  -9.022   5.907
  508    HB   VAL  64           HB       VAL  64   3.452  -6.573   4.826
  509   1HG1  VAL  64          2HG1      VAL  64   2.255  -8.897   5.456
  510   2HG1  VAL  64          3HG1      VAL  64   2.342  -8.174   7.079
  511   3HG1  VAL  64          1HG1      VAL  64   1.511  -7.310   5.764
  512   1HG2  VAL  64          2HG2      VAL  64   5.310  -6.569   6.826
  513   2HG2  VAL  64          3HG2      VAL  64   3.946  -5.432   6.711
  514   3HG2  VAL  64          1HG2      VAL  64   3.816  -6.875   7.744
  515    H    GLY  65           H        GLY  65   4.506 -10.851   4.764
  516   1HA   GLY  65          1HA       GLY  65   3.946 -10.629   1.896
  517   2HA   GLY  65          2HA       GLY  65   4.428 -12.065   2.777
  518    H    THR  66           H        THR  66   2.230 -12.054   0.968
  519    HA   THR  66           HA       THR  66  -0.205 -11.723   2.444
  520    HB   THR  66           HB       THR  66   0.673 -12.615  -0.309
  521    HG1  THR  66          1HG       THR  66   0.142 -10.374   0.332
  522   1HG2  THR  66          2HG2      THR  66  -2.165 -12.904   0.808
  523   2HG2  THR  66          3HG2      THR  66  -1.675 -13.142  -0.887
  524   3HG2  THR  66          1HG2      THR  66  -1.113 -14.271   0.369
  525    H    ASP  67           H        ASP  67   2.212 -14.215   2.138
  526    HA   ASP  67           HA       ASP  67   0.859 -16.496   2.325
  527   1HB   ASP  67          1HB       ASP  67   2.730 -17.175   4.037
  528   2HB   ASP  67          2HB       ASP  67   3.195 -16.709   2.413
  529    H    MET  68           H        MET  68   1.755 -14.300   5.097
  530    HA   MET  68           HA       MET  68   0.416 -15.803   7.019
  531   1HB   MET  68          1HB       MET  68   2.101 -13.558   6.927
  532   2HB   MET  68          2HB       MET  68   0.593 -12.864   7.486
  533   1HG   MET  68          1HG       MET  68   1.795 -15.361   8.759
  534   2HG   MET  68          2HG       MET  68   2.205 -13.749   9.305
  535   1HE   MET  68          2HE       MET  68   0.466 -11.977   9.571
  536   2HE   MET  68          3HE       MET  68  -1.092 -12.376   8.807
  537   3HE   MET  68          1HE       MET  68  -0.980 -12.230  10.577
  538    H    LEU  69           H        LEU  69  -0.509 -12.711   5.341
  539    HA   LEU  69           HA       LEU  69  -2.946 -12.341   6.516
  540   1HB   LEU  69          1HB       LEU  69  -2.506 -11.814   3.595
  541   2HB   LEU  69          2HB       LEU  69  -3.437 -10.890   4.758
  542    HG   LEU  69           HG       LEU  69  -0.441 -11.007   4.428
  543   1HD1  LEU  69          1HD1      LEU  69  -2.381  -9.307   3.407
  544   2HD1  LEU  69          2HD1      LEU  69  -1.704  -8.406   4.785
  545   3HD1  LEU  69          3HD1      LEU  69  -0.630  -8.996   3.493
  546   1HD2  LEU  69          3HD2      LEU  69  -1.154 -11.238   6.863
  547   2HD2  LEU  69          1HD2      LEU  69  -0.070  -9.885   6.462
  548   3HD2  LEU  69          2HD2      LEU  69  -1.805  -9.588   6.717
  549    H    GLU  70           H        GLU  70  -2.083 -14.455   3.723
  550    HA   GLU  70           HA       GLU  70  -4.690 -15.192   3.147
  551   1HB   GLU  70          1HB       GLU  70  -2.874 -15.575   1.568
  552   2HB   GLU  70          2HB       GLU  70  -2.038 -16.624   2.696
  553   1HG   GLU  70          1HG       GLU  70  -4.323 -18.007   2.631
  554   2HG   GLU  70          2HG       GLU  70  -4.556 -17.168   1.111
  555    H    GLU  71           H        GLU  71  -2.138 -16.866   5.125
  556    HA   GLU  71           HA       GLU  71  -3.729 -18.993   5.855
  557   1HB   GLU  71          1HB       GLU  71  -1.318 -17.675   7.148
  558   2HB   GLU  71          2HB       GLU  71  -2.074 -19.081   7.868
  559   1HG   GLU  71          1HG       GLU  71  -1.846 -20.167   5.491
  560   2HG   GLU  71          2HG       GLU  71  -0.726 -18.864   5.151
  561    H    GLN  72           H        GLN  72  -4.017 -15.676   6.670
  562    HA   GLN  72           HA       GLN  72  -5.328 -16.305   9.180
  563   1HB   GLN  72          1HB       GLN  72  -4.635 -13.590   7.974
  564   2HB   GLN  72          2HB       GLN  72  -5.277 -13.860   9.582
  565   1HG   GLN  72          1HG       GLN  72  -2.877 -15.498   9.040
  566   2HG   GLN  72          2HG       GLN  72  -2.563 -13.782   8.882
  567   1HE2  GLN  72          2HE2      GLN  72  -3.745 -15.419  12.503
  568   2HE2  GLN  72          1HE2      GLN  72  -4.104 -16.183  10.990
  569    H    ILE  73           H        ILE  73  -5.859 -14.645   6.007
  570    HA   ILE  73           HA       ILE  73  -8.605 -14.144   6.560
  571    HB   ILE  73           HB       ILE  73  -7.060 -14.086   3.965
  572   1HG1  ILE  73          1HG1      ILE  73  -7.785 -11.633   5.518
  573   2HG1  ILE  73          2HG1      ILE  73  -6.421 -12.585   6.065
  574   1HG2  ILE  73          1HG2      ILE  73  -9.819 -13.128   4.723
  575   2HG2  ILE  73          2HG2      ILE  73  -8.919 -12.447   3.348
  576   3HG2  ILE  73          3HG2      ILE  73  -9.330 -14.178   3.372
  577   1HD1  ILE  73          1HD1      ILE  73  -5.445 -12.475   3.746
  578   2HD1  ILE  73          2HD1      ILE  73  -6.798 -11.421   3.267
  579   3HD1  ILE  73          3HD1      ILE  73  -5.635 -10.873   4.498
  580    H    THR  74           H        THR  74  -6.828 -16.486   4.429
  581    HA   THR  74           HA       THR  74  -9.250 -17.898   3.835
  582    HB   THR  74           HB       THR  74  -7.827 -19.143   2.380
  583    HG1  THR  74          1HG       THR  74  -5.880 -18.335   4.410
  584   1HG2  THR  74          1HG2      THR  74  -7.590 -16.457   2.193
  585   2HG2  THR  74          2HG2      THR  74  -5.922 -16.823   2.695
  586   3HG2  THR  74          3HG2      THR  74  -6.583 -17.543   1.207
  587    H    ALA  75           H        ALA  75  -7.555 -17.633   6.665
  588    HA   ALA  75           HA       ALA  75  -7.231 -20.307   7.435
  589   1HB   ALA  75          1HB       ALA  75  -6.773 -17.741   8.487
  590   2HB   ALA  75          2HB       ALA  75  -7.921 -18.499   9.617
  591   3HB   ALA  75          3HB       ALA  75  -6.372 -19.297   9.253
  592    H    PHE  76           H        PHE  76 -10.047 -18.431   6.774
  593    HA   PHE  76           HA       PHE  76 -11.675 -20.130   8.510
  594   1HB   PHE  76          1HB       PHE  76 -11.741 -17.385   7.341
  595   2HB   PHE  76          2HB       PHE  76 -13.269 -18.220   7.149
  596    HD1  PHE  76          2HD       PHE  76 -13.604 -19.727   9.580
  597    HD2  PHE  76          1HD       PHE  76 -11.937 -15.859   9.057
  598    HE1  PHE  76          2HE       PHE  76 -14.221 -19.141  11.941
  599    HE2  PHE  76          1HE       PHE  76 -12.553 -15.275  11.419
  600    HZ   PHE  76           HZ       PHE  76 -13.688 -16.922  12.832
  601    H    GLU  77           H        GLU  77 -11.722 -22.082   7.308
  602    HA   GLU  77           HA       GLU  77 -12.287 -22.011   4.539
  603   1HB   GLU  77          1HB       GLU  77 -11.479 -23.963   6.514
  604   2HB   GLU  77          2HB       GLU  77 -12.852 -24.603   5.633
  605   1HG   GLU  77          1HG       GLU  77 -11.046 -23.309   3.759
  606   2HG   GLU  77          2HG       GLU  77 -10.131 -24.424   4.754
  607    H    ASP  78           H        ASP  78 -14.190 -21.353   7.214
  608    HA   ASP  78           HA       ASP  78 -16.533 -22.650   6.120
  609   1HB   ASP  78          1HB       ASP  78 -15.778 -22.430   8.683
  610   2HB   ASP  78          2HB       ASP  78 -16.565 -20.869   8.563
  611    H    TYR  79           H        TYR  79 -14.931 -20.165   5.064
  612    HA   TYR  79           HA       TYR  79 -17.282 -18.550   4.555
  613   1HB   TYR  79          1HB       TYR  79 -14.652 -17.611   5.860
  614   2HB   TYR  79          2HB       TYR  79 -15.844 -16.497   5.221
  615    HD1  TYR  79          1HD       TYR  79 -15.270 -19.090   7.824
  616    HD2  TYR  79          2HD       TYR  79 -17.759 -15.874   6.494
  617    HE1  TYR  79          1HE       TYR  79 -16.482 -19.094  10.059
  618    HE2  TYR  79          2HE       TYR  79 -18.962 -15.889   8.734
  619    HH   TYR  79           HH       TYR  79 -17.747 -17.471  11.421
  620    H    VAL  80           H        VAL  80 -13.711 -18.996   4.158
  621    HA   VAL  80           HA       VAL  80 -13.808 -17.676   1.593
  622    HB   VAL  80           HB       VAL  80 -11.657 -18.938   3.283
  623   1HG1  VAL  80          1HG1      VAL  80 -11.594 -18.215   0.386
  624   2HG1  VAL  80          2HG1      VAL  80 -10.184 -17.776   1.380
  625   3HG1  VAL  80          3HG1      VAL  80 -10.704 -19.474   1.275
  626   1HG2  VAL  80          1HG2      VAL  80 -12.481 -16.143   2.545
  627   2HG2  VAL  80          2HG2      VAL  80 -12.065 -16.825   4.135
  628   3HG2  VAL  80          3HG2      VAL  80 -10.783 -16.485   2.950
  629    H    GLN  81           H        GLN  81 -14.238 -18.673  -0.305
  630    HA   GLN  81           HA       GLN  81 -14.557 -21.516  -0.244
  631   1HB   GLN  81          1HB       GLN  81 -16.208 -20.020  -1.373
  632   2HB   GLN  81          2HB       GLN  81 -14.975 -19.518  -2.511
  633   1HG   GLN  81          1HG       GLN  81 -14.748 -22.212  -2.818
  634   2HG   GLN  81          2HG       GLN  81 -16.425 -22.141  -2.312
  635   1HE2  GLN  81          2HE2      GLN  81 -15.317 -21.198  -6.067
  636   2HE2  GLN  81          1HE2      GLN  81 -14.298 -21.917  -4.866
  637    H    SER  82           H        SER  82 -12.401 -19.054  -1.730
  638    HA   SER  82           HA       SER  82 -10.278 -20.802  -1.870
  639   1HB   SER  82          1HB       SER  82 -11.926 -20.588  -4.398
  640   2HB   SER  82          2HB       SER  82 -10.188 -20.770  -4.520
  641    HG   SER  82           HG       SER  82 -11.868 -22.739  -4.288
  642    H    MET  83           H        MET  83  -8.703 -19.293  -1.474
  643    HA   MET  83           HA       MET  83  -9.105 -16.617  -2.387
  644   1HB   MET  83          1HB       MET  83  -8.176 -16.970  -0.150
  645   2HB   MET  83          2HB       MET  83  -6.942 -18.052  -0.763
  646   1HG   MET  83          1HG       MET  83  -7.037 -15.217  -1.821
  647   2HG   MET  83          2HG       MET  83  -6.372 -15.496  -0.223
  648   1HE   MET  83          1HE       MET  83  -4.335 -15.170  -0.086
  649   2HE   MET  83          2HE       MET  83  -2.982 -16.079  -0.801
  650   3HE   MET  83          3HE       MET  83  -3.616 -14.633  -1.623
  651    H    ASP  84           H        ASP  84  -7.537 -15.393  -3.686
  652    HA   ASP  84           HA       ASP  84  -5.660 -17.021  -5.150
  653   1HB   ASP  84          1HB       ASP  84  -8.060 -15.601  -6.310
  654   2HB   ASP  84          2HB       ASP  84  -6.581 -15.614  -7.251
  655    H    VAL  85           H        VAL  85  -4.740 -15.159  -6.997
  656    HA   VAL  85           HA       VAL  85  -4.152 -12.804  -5.338
  657    HB   VAL  85           HB       VAL  85  -2.326 -14.545  -5.764
  658   1HG1  VAL  85          1HG1      VAL  85  -2.961 -14.755  -8.230
  659   2HG1  VAL  85          2HG1      VAL  85  -2.130 -13.199  -8.467
  660   3HG1  VAL  85          3HG1      VAL  85  -1.228 -14.607  -7.858
  661   1HG2  VAL  85          2HG2      VAL  85  -2.250 -11.618  -5.892
  662   2HG2  VAL  85          3HG2      VAL  85  -1.251 -12.752  -4.951
  663   3HG2  VAL  85          1HG2      VAL  85  -0.831 -12.387  -6.641
  664    H    ALA  86           H        ALA  86  -4.316 -10.771  -6.296
  665    HA   ALA  86           HA       ALA  86  -5.646 -10.796  -8.897
  666   1HB   ALA  86          1HB       ALA  86  -6.346  -9.594  -6.564
  667   2HB   ALA  86          2HB       ALA  86  -5.383  -8.292  -7.304
  668   3HB   ALA  86          3HB       ALA  86  -6.791  -8.958  -8.165
  669    H    ALA  87           H        ALA  87  -2.658  -9.949  -7.237
  670    HA   ALA  87           HA       ALA  87  -1.167  -9.677  -9.501
  671   1HB   ALA  87          1HB       ALA  87  -2.498  -7.097  -8.656
  672   2HB   ALA  87          2HB       ALA  87  -0.893  -7.082  -9.426
  673   3HB   ALA  87          3HB       ALA  87  -2.289  -7.771 -10.290
  674    H    PHE  88           H        PHE  88   0.969  -8.334  -8.961
  675    HA   PHE  88           HA       PHE  88   1.437  -8.113  -6.128
  676   1HB   PHE  88          1HB       PHE  88   1.913 -10.542  -7.574
  677   2HB   PHE  88          2HB       PHE  88   3.490  -9.791  -7.444
  678    HD1  PHE  88          1HD       PHE  88   0.563 -10.801  -5.379
  679    HD2  PHE  88          2HD       PHE  88   4.735 -10.033  -5.489
  680    HE1  PHE  88          1HE       PHE  88   0.786 -11.675  -3.037
  681    HE2  PHE  88          2HE       PHE  88   4.958 -10.908  -3.148
  682    HZ   PHE  88           HZ       PHE  88   2.981 -11.718  -1.949
  683    H    ASN  89           H        ASN  89   2.079  -5.967  -6.390
  684    HA   ASN  89           HA       ASN  89   4.646  -5.671  -7.630
  685   1HB   ASN  89          1HB       ASN  89   2.274  -4.880  -9.025
  686   2HB   ASN  89          2HB       ASN  89   2.983  -3.395  -8.424
  687   1HD2  ASN  89          2HD2      ASN  89   4.554  -3.719 -11.645
  688   2HD2  ASN  89          1HD2      ASN  89   3.076  -3.239 -10.880
  689    H    LYS  90           H        LYS  90   5.091  -2.987  -7.381
  690    HA   LYS  90           HA       LYS  90   4.895  -2.570  -4.566
  691   1HB   LYS  90          1HB       LYS  90   6.322  -1.374  -6.863
  692   2HB   LYS  90          2HB       LYS  90   5.922  -0.252  -5.580
  693   1HG   LYS  90          1HG       LYS  90   7.184  -1.433  -3.962
  694   2HG   LYS  90          2HG       LYS  90   7.122  -2.937  -4.861
  695   1HD   LYS  90          1HD       LYS  90   8.522  -0.555  -6.096
  696   2HD   LYS  90          2HD       LYS  90   9.341  -1.455  -4.835
  697   1HE   LYS  90          1HE       LYS  90   9.591  -3.354  -6.148
  698   2HE   LYS  90          2HE       LYS  90   8.081  -3.102  -6.999
  699   1HZ   LYS  90          2HZ       LYS  90   9.624  -0.991  -7.712
  700   2HZ   LYS  90          3HZ       LYS  90  10.675  -2.241  -7.700
  701   3HZ   LYS  90          1HZ       LYS  90   9.328  -2.315  -8.621
  702    H    ILE  91           H        ILE  91   4.262  -0.296  -3.809
  703    HA   ILE  91           HA       ILE  91   1.557   0.270  -4.909
  704    HB   ILE  91           HB       ILE  91   1.637  -0.471  -2.560
  705   1HG1  ILE  91          1HG1      ILE  91   1.133   2.476  -2.325
  706   2HG1  ILE  91          2HG1      ILE  91   0.204   1.580  -3.551
  707   1HG2  ILE  91          1HG2      ILE  91   4.035   0.608  -2.337
  708   2HG2  ILE  91          2HG2      ILE  91   3.127   2.061  -1.861
  709   3HG2  ILE  91          3HG2      ILE  91   2.956   0.559  -0.922
  710   1HD1  ILE  91          3HD1      ILE  91   0.303   0.063  -1.080
  711   2HD1  ILE  91          1HD1      ILE  91  -0.298   1.707  -0.760
  712   3HD1  ILE  91          2HD1      ILE  91  -1.116   0.678  -1.961
   
  No H/Q in entry =         712
  Start of MODEL    2
    1   1H    MET   1           H        MET   1  15.540   1.854   7.769
    2   2H    MET   1          2HN       MET   1  16.520   0.773   8.553
    3   3H    MET   1          3HN       MET   1  17.156   1.793   7.414
    4    HA   MET   1           HA       MET   1  16.429   0.644   5.685
    5   1HB   MET   1          1HB       MET   1  17.223  -0.977   7.983
    6   2HB   MET   1          2HB       MET   1  16.164  -1.879   6.871
    7   1HG   MET   1          1HG       MET   1  17.736  -1.958   5.262
    8   2HG   MET   1          2HG       MET   1  18.146  -0.246   5.462
    9   1HE   MET   1          3HE       MET   1  19.633   0.733   6.517
   10   2HE   MET   1          1HE       MET   1  20.431   0.209   8.020
   11   3HE   MET   1          2HE       MET   1  21.261   0.014   6.458
   12    H    LEU   2           H        LEU   2  14.107   1.865   7.258
   13    HA   LEU   2           HA       LEU   2  12.125  -0.219   6.674
   14   1HB   LEU   2          1HB       LEU   2  12.464   0.970   9.009
   15   2HB   LEU   2          2HB       LEU   2  11.502   2.231   8.263
   16    HG   LEU   2           HG       LEU   2  10.360  -0.459   7.933
   17   1HD1  LEU   2          1HD1      LEU   2  11.060   0.565  10.653
   18   2HD1  LEU   2          2HD1      LEU   2   9.500  -0.258  10.418
   19   3HD1  LEU   2          3HD1      LEU   2  11.018  -1.101  10.029
   20   1HD2  LEU   2          3HD2      LEU   2   9.512   2.268   8.056
   21   2HD2  LEU   2          1HD2      LEU   2   8.584   0.821   7.591
   22   3HD2  LEU   2          2HD2      LEU   2   8.633   1.339   9.294
   23    H    VAL   3           H        VAL   3  12.439   0.293   4.344
   24    HA   VAL   3           HA       VAL   3  10.562   2.347   3.592
   25    HB   VAL   3           HB       VAL   3  13.073   3.211   3.792
   26   1HG1  VAL   3          3HG1      VAL   3  13.808   1.376   2.171
   27   2HG1  VAL   3          1HG1      VAL   3  12.997   2.323   0.901
   28   3HG1  VAL   3          2HG1      VAL   3  14.352   3.033   1.811
   29   1HG2  VAL   3          2HG2      VAL   3  10.963   4.422   3.048
   30   2HG2  VAL   3          3HG2      VAL   3  12.491   5.000   2.343
   31   3HG2  VAL   3          1HG2      VAL   3  11.402   3.970   1.383
   32    H    ALA   4           H        ALA   4  10.452   2.290   1.000
   33    HA   ALA   4           HA       ALA   4  10.064   1.108  -0.834
   34   1HB   ALA   4          1HB       ALA   4  12.442  -0.020   0.207
   35   2HB   ALA   4          2HB       ALA   4  11.409  -1.396  -0.251
   36   3HB   ALA   4          3HB       ALA   4  11.819  -0.150  -1.456
   37    H    LYS   5           H        LYS   5   7.831   1.049  -0.110
   38    HA   LYS   5           HA       LYS   5   7.066  -1.534   1.050
   39   1HB   LYS   5          1HB       LYS   5   5.728   1.179   1.088
   40   2HB   LYS   5          2HB       LYS   5   4.899  -0.293   1.551
   41   1HG   LYS   5          1HG       LYS   5   7.496  -0.204   2.861
   42   2HG   LYS   5          2HG       LYS   5   6.653   1.305   3.151
   43   1HD   LYS   5          1HD       LYS   5   5.457  -1.469   3.622
   44   2HD   LYS   5          2HD       LYS   5   6.147  -0.457   4.877
   45   1HE   LYS   5          1HE       LYS   5   3.858   0.481   3.088
   46   2HE   LYS   5          2HE       LYS   5   3.587  -0.346   4.610
   47   1HZ   LYS   5          1HZ       LYS   5   4.907   1.390   5.680
   48   2HZ   LYS   5          2HZ       LYS   5   5.048   2.178   4.257
   49   3HZ   LYS   5          3HZ       LYS   5   3.579   1.994   4.946
   50    H    SER   6           H        SER   6   4.741  -2.215   0.249
   51    HA   SER   6           HA       SER   6   4.288  -1.479  -2.479
   52   1HB   SER   6          1HB       SER   6   5.937  -3.219  -2.843
   53   2HB   SER   6          2HB       SER   6   5.166  -4.285  -1.686
   54    HG   SER   6           HG       SER   6   4.710  -4.746  -4.002
   55    H    SER   7           H        SER   7   2.293  -2.894  -3.326
   56    HA   SER   7           HA       SER   7   0.589  -3.472  -1.038
   57   1HB   SER   7          1HB       SER   7  -0.131  -1.300  -1.784
   58   2HB   SER   7          2HB       SER   7  -0.044  -1.764  -3.472
   59    HG   SER   7           HG       SER   7  -2.214  -1.788  -2.043
   60    H    ILE   8           H        ILE   8  -1.122  -5.068  -1.486
   61    HA   ILE   8           HA       ILE   8  -0.851  -6.446  -4.045
   62    HB   ILE   8           HB       ILE   8  -0.596  -7.757  -1.335
   63   1HG1  ILE   8          1HG1      ILE   8   1.537  -8.535  -2.914
   64   2HG1  ILE   8          2HG1      ILE   8   1.337  -6.850  -3.353
   65   1HG2  ILE   8          1HG2      ILE   8  -1.919  -8.852  -3.426
   66   2HG2  ILE   8          2HG2      ILE   8  -0.254  -9.357  -3.800
   67   3HG2  ILE   8          3HG2      ILE   8  -0.983  -9.786  -2.234
   68   1HD1  ILE   8          1HD1      ILE   8   1.037  -6.727  -0.605
   69   2HD1  ILE   8          2HD1      ILE   8   2.228  -8.037  -0.787
   70   3HD1  ILE   8          3HD1      ILE   8   2.563  -6.430  -1.473
   71    H    LEU   9           H        LEU   9  -2.828  -6.642  -4.938
   72    HA   LEU   9           HA       LEU   9  -5.123  -6.279  -3.196
   73   1HB   LEU   9          1HB       LEU   9  -4.805  -4.959  -5.283
   74   2HB   LEU   9          2HB       LEU   9  -4.965  -6.438  -6.208
   75    HG   LEU   9           HG       LEU   9  -7.263  -6.687  -5.033
   76   1HD1  LEU   9          2HD1      LEU   9  -6.825  -4.906  -3.351
   77   2HD1  LEU   9          3HD1      LEU   9  -6.882  -3.705  -4.663
   78   3HD1  LEU   9          1HD1      LEU   9  -8.327  -4.669  -4.276
   79   1HD2  LEU   9          1HD2      LEU   9  -6.595  -4.711  -7.208
   80   2HD2  LEU   9          2HD2      LEU   9  -7.261  -6.357  -7.345
   81   3HD2  LEU   9          3HD2      LEU   9  -8.276  -5.035  -6.720
   82    H    LEU  10           H        LEU  10  -6.115  -8.000  -2.306
   83    HA   LEU  10           HA       LEU  10  -5.676 -10.595  -3.557
   84   1HB   LEU  10          1HB       LEU  10  -5.662  -9.688  -0.922
   85   2HB   LEU  10          2HB       LEU  10  -7.169 -10.572  -1.065
   86    HG   LEU  10           HG       LEU  10  -5.747 -12.474  -2.081
   87   1HD1  LEU  10          1HD1      LEU  10  -3.737 -10.829  -2.262
   88   2HD1  LEU  10          2HD1      LEU  10  -3.475 -11.244  -0.551
   89   3HD1  LEU  10          3HD1      LEU  10  -3.454 -12.521  -1.790
   90   1HD2  LEU  10          1HD2      LEU  10  -6.824 -12.332   0.227
   91   2HD2  LEU  10          2HD2      LEU  10  -5.468 -13.468   0.029
   92   3HD2  LEU  10          3HD2      LEU  10  -5.206 -11.901   0.832
   93    H    ASP  11           H        ASP  11  -7.609 -12.124  -3.604
   94    HA   ASP  11           HA       ASP  11 -10.115 -10.739  -3.862
   95   1HB   ASP  11          1HB       ASP  11  -8.625 -11.018  -6.136
   96   2HB   ASP  11          2HB       ASP  11  -9.431 -12.574  -6.136
   97    H    VAL  12           H        VAL  12 -10.783 -12.111  -2.072
   98    HA   VAL  12           HA       VAL  12 -10.546 -14.985  -2.471
   99    HB   VAL  12           HB       VAL  12 -11.401 -13.275  -0.130
  100   1HG1  VAL  12          1HG1      VAL  12 -11.199 -16.296  -0.362
  101   2HG1  VAL  12          2HG1      VAL  12 -11.352 -15.407   1.173
  102   3HG1  VAL  12          3HG1      VAL  12 -12.660 -15.333  -0.032
  103   1HG2  VAL  12          1HG2      VAL  12  -8.916 -13.471  -0.910
  104   2HG2  VAL  12          2HG2      VAL  12  -9.314 -13.674   0.813
  105   3HG2  VAL  12          3HG2      VAL  12  -9.009 -15.103  -0.204
  106    H    LYS  13           H        LYS  13 -12.457 -16.382  -2.228
  107    HA   LYS  13           HA       LYS  13 -14.885 -14.974  -3.099
  108   1HB   LYS  13          1HB       LYS  13 -13.463 -16.776  -4.569
  109   2HB   LYS  13          2HB       LYS  13 -14.587 -17.846  -3.756
  110   1HG   LYS  13          1HG       LYS  13 -16.368 -17.082  -4.963
  111   2HG   LYS  13          2HG       LYS  13 -15.915 -15.404  -4.736
  112   1HD   LYS  13          1HD       LYS  13 -14.330 -15.488  -6.577
  113   2HD   LYS  13          2HD       LYS  13 -14.449 -17.232  -6.687
  114   1HE   LYS  13          1HE       LYS  13 -17.122 -16.293  -6.937
  115   2HE   LYS  13          2HE       LYS  13 -16.159 -15.189  -7.899
  116   1HZ   LYS  13          2HZ       LYS  13 -15.378 -17.887  -8.269
  117   2HZ   LYS  13          3HZ       LYS  13 -16.951 -17.657  -8.645
  118   3HZ   LYS  13          1HZ       LYS  13 -15.796 -16.767  -9.382
  119    HA   PRO  14           HA       PRO  14 -16.615 -16.573   0.534
  120   1HB   PRO  14          1HB       PRO  14 -19.233 -15.933   0.082
  121   2HB   PRO  14          2HB       PRO  14 -18.062 -14.789   0.705
  122   1HG   PRO  14          1HG       PRO  14 -19.209 -14.974  -2.014
  123   2HG   PRO  14          2HG       PRO  14 -18.386 -13.622  -1.258
  124   1HD   PRO  14          1HD       PRO  14 -17.297 -15.420  -3.210
  125   2HD   PRO  14          2HD       PRO  14 -16.442 -14.143  -2.370
  126    H    TRP  15           H        TRP  15 -17.775 -18.315   1.456
  127    HA   TRP  15           HA       TRP  15 -17.771 -20.555  -0.217
  128   1HB   TRP  15          1HB       TRP  15 -18.381 -19.919   2.562
  129   2HB   TRP  15          2HB       TRP  15 -19.430 -21.169   1.921
  130    HD1  TRP  15           HD       TRP  15 -16.488 -21.161   3.864
  131    HE1  TRP  15          1HE       TRP  15 -14.836 -23.187   3.500
  132    HE3  TRP  15          3HE       TRP  15 -18.404 -22.598  -0.622
  133    HZ2  TRP  15          2HZ       TRP  15 -14.523 -25.119   1.423
  134    HZ3  TRP  15          3HZ       TRP  15 -17.367 -24.563  -1.751
  135    HH2  TRP  15           HH       TRP  15 -15.491 -25.810  -0.800
  136    H    ASP  16           H        ASP  16 -20.093 -17.983   0.412
  137    HA   ASP  16           HA       ASP  16 -21.638 -18.505  -1.725
  138   1HB   ASP  16          1HB       ASP  16 -22.187 -20.423   0.336
  139   2HB   ASP  16          2HB       ASP  16 -23.552 -19.325   0.307
  140    H    ASP  17           H        ASP  17 -24.185 -17.635  -1.016
  141    HA   ASP  17           HA       ASP  17 -23.751 -15.008  -0.316
  142   1HB   ASP  17          1HB       ASP  17 -26.013 -14.749  -0.726
  143   2HB   ASP  17          2HB       ASP  17 -25.791 -16.325  -1.461
  144    H    GLU  18           H        GLU  18 -23.944 -17.888   1.596
  145    HA   GLU  18           HA       GLU  18 -25.130 -16.732   3.886
  146   1HB   GLU  18          1HB       GLU  18 -24.618 -18.836   4.969
  147   2HB   GLU  18          2HB       GLU  18 -25.147 -19.191   3.338
  148   1HG   GLU  18          1HG       GLU  18 -22.749 -19.349   2.606
  149   2HG   GLU  18          2HG       GLU  18 -22.235 -19.025   4.250
  150    H    THR  19           H        THR  19 -21.825 -17.119   2.601
  151    HA   THR  19           HA       THR  19 -20.483 -16.504   5.019
  152    HB   THR  19           HB       THR  19 -19.788 -16.571   2.053
  153    HG1  THR  19          1HG       THR  19 -19.171 -17.968   4.555
  154   1HG2  THR  19          2HG2      THR  19 -18.399 -14.930   3.824
  155   2HG2  THR  19          3HG2      THR  19 -17.564 -16.489   4.026
  156   3HG2  THR  19          1HG2      THR  19 -17.670 -15.738   2.415
  157    H    ASP  20           H        ASP  20 -21.503 -14.716   5.991
  158    HA   ASP  20           HA       ASP  20 -22.284 -12.436   4.942
  159   1HB   ASP  20          1HB       ASP  20 -21.458 -13.321   7.495
  160   2HB   ASP  20          2HB       ASP  20 -20.512 -11.870   7.225
  161    H    MET  21           H        MET  21 -21.344 -10.859   3.630
  162    HA   MET  21           HA       MET  21 -18.568 -11.028   3.088
  163   1HB   MET  21          1HB       MET  21 -20.599  -8.881   2.263
  164   2HB   MET  21          2HB       MET  21 -19.077  -9.219   1.461
  165   1HG   MET  21          1HG       MET  21 -21.393 -11.202   1.693
  166   2HG   MET  21          2HG       MET  21 -21.049 -10.236   0.274
  167   1HE   MET  21          2HE       MET  21 -18.737 -10.141  -0.814
  168   2HE   MET  21          3HE       MET  21 -17.966 -11.675  -1.285
  169   3HE   MET  21          1HE       MET  21 -19.669 -11.367  -1.706
  170    H    ALA  22           H        ALA  22 -20.683  -9.027   5.121
  171    HA   ALA  22           HA       ALA  22 -18.957  -6.846   5.448
  172   1HB   ALA  22          2HB       ALA  22 -21.376  -7.990   6.751
  173   2HB   ALA  22          3HB       ALA  22 -20.377  -6.927   7.770
  174   3HB   ALA  22          1HB       ALA  22 -21.035  -6.322   6.232
  175    H    LYS  23           H        LYS  23 -19.396  -9.924   7.308
  176    HA   LYS  23           HA       LYS  23 -17.419  -9.286   9.212
  177   1HB   LYS  23          1HB       LYS  23 -18.938 -11.748   8.417
  178   2HB   LYS  23          2HB       LYS  23 -17.546 -11.911   9.469
  179   1HG   LYS  23          1HG       LYS  23 -19.102  -9.673  10.418
  180   2HG   LYS  23          2HG       LYS  23 -20.205 -11.006  10.142
  181   1HD   LYS  23          1HD       LYS  23 -18.988 -12.464  11.627
  182   2HD   LYS  23          2HD       LYS  23 -17.595 -11.401  11.658
  183   1HE   LYS  23          1HE       LYS  23 -20.223 -10.258  12.588
  184   2HE   LYS  23          2HE       LYS  23 -19.437 -11.420  13.638
  185   1HZ   LYS  23          2HZ       LYS  23 -17.401 -10.015  13.339
  186   2HZ   LYS  23          3HZ       LYS  23 -18.362  -8.872  12.678
  187   3HZ   LYS  23          1HZ       LYS  23 -18.601  -9.348  14.221
  188    H    LEU  24           H        LEU  24 -17.403 -11.339   6.223
  189    HA   LEU  24           HA       LEU  24 -14.782 -12.160   6.386
  190   1HB   LEU  24          1HB       LEU  24 -16.913 -12.341   4.588
  191   2HB   LEU  24          2HB       LEU  24 -15.617 -11.605   3.665
  192    HG   LEU  24           HG       LEU  24 -15.582 -14.273   5.089
  193   1HD1  LEU  24          1HD1      LEU  24 -16.503 -13.662   2.603
  194   2HD1  LEU  24          2HD1      LEU  24 -14.803 -14.058   2.254
  195   3HD1  LEU  24          3HD1      LEU  24 -15.840 -15.244   3.081
  196   1HD2  LEU  24          1HD2      LEU  24 -13.320 -12.568   4.149
  197   2HD2  LEU  24          2HD2      LEU  24 -13.420 -13.693   5.526
  198   3HD2  LEU  24          3HD2      LEU  24 -13.224 -14.324   3.873
  199    H    GLU  25           H        GLU  25 -16.183  -9.091   5.139
  200    HA   GLU  25           HA       GLU  25 -13.727  -8.172   4.136
  201   1HB   GLU  25          1HB       GLU  25 -15.901  -7.325   3.328
  202   2HB   GLU  25          2HB       GLU  25 -16.262  -6.665   4.911
  203   1HG   GLU  25          1HG       GLU  25 -14.005  -5.344   4.638
  204   2HG   GLU  25          2HG       GLU  25 -14.138  -5.755   2.939
  205    H    GLU  26           H        GLU  26 -15.671  -7.196   7.058
  206    HA   GLU  26           HA       GLU  26 -13.811  -5.506   8.109
  207   1HB   GLU  26          1HB       GLU  26 -15.846  -7.293   9.506
  208   2HB   GLU  26          2HB       GLU  26 -14.952  -6.033  10.330
  209   1HG   GLU  26          1HG       GLU  26 -16.550  -5.435   7.810
  210   2HG   GLU  26          2HG       GLU  26 -17.315  -5.446   9.387
  211    H    CYS  27           H        CYS  27 -14.296  -9.031   8.868
  212    HA   CYS  27           HA       CYS  27 -12.407  -9.422  10.711
  213   1HB   CYS  27          1HB       CYS  27 -13.944 -11.141   9.649
  214   2HB   CYS  27          2HB       CYS  27 -12.767 -11.303   8.360
  215    HG   CYS  27           HG       CYS  27 -11.680 -11.290  11.437
  216    H    VAL  28           H        VAL  28 -11.849  -9.609   7.112
  217    HA   VAL  28           HA       VAL  28  -9.184 -10.006   7.067
  218    HB   VAL  28           HB       VAL  28 -11.083  -8.466   5.343
  219   1HG1  VAL  28          3HG1      VAL  28  -8.073  -8.540   5.026
  220   2HG1  VAL  28          1HG1      VAL  28  -9.176  -8.276   3.654
  221   3HG1  VAL  28          2HG1      VAL  28  -9.157  -7.128   5.015
  222   1HG2  VAL  28          3HG2      VAL  28 -10.143 -11.151   5.532
  223   2HG2  VAL  28          1HG2      VAL  28 -11.302 -10.460   4.372
  224   3HG2  VAL  28          2HG2      VAL  28  -9.565 -10.481   3.988
  225    H    ARG  29           H        ARG  29 -10.842  -6.788   7.347
  226    HA   ARG  29           HA       ARG  29  -8.493  -5.353   7.517
  227   1HB   ARG  29          1HB       ARG  29 -11.302  -4.840   7.642
  228   2HB   ARG  29          2HB       ARG  29 -10.628  -4.132   9.097
  229   1HG   ARG  29          1HG       ARG  29  -8.995  -3.596   6.681
  230   2HG   ARG  29          2HG       ARG  29 -10.622  -2.956   6.566
  231   1HD   ARG  29          1HD       ARG  29  -9.976  -2.202   9.137
  232   2HD   ARG  29          2HD       ARG  29  -8.392  -2.154   8.388
  233    HE   ARG  29           HE       ARG  29  -9.056  -0.229   7.258
  234   1HH1  ARG  29          2HH2      ARG  29 -11.933  -2.080   8.085
  235   2HH1  ARG  29          1HH2      ARG  29 -13.031  -0.894   7.465
  236   1HH2  ARG  29          2HH1      ARG  29 -10.505   1.338   6.440
  237   2HH2  ARG  29          1HH1      ARG  29 -12.214   1.065   6.522
  238    H    SER  30           H        SER  30 -10.402  -7.160   9.922
  239    HA   SER  30           HA       SER  30  -9.329  -5.971  12.191
  240   1HB   SER  30          1HB       SER  30 -10.559  -7.542  13.347
  241   2HB   SER  30          2HB       SER  30 -11.336  -7.702  11.784
  242    HG   SER  30           HG       SER  30 -10.115  -9.566  11.337
  243    H    ILE  31           H        ILE  31  -8.068  -8.289   9.869
  244    HA   ILE  31           HA       ILE  31  -6.195  -9.554  11.544
  245    HB   ILE  31           HB       ILE  31  -6.216  -9.142   8.553
  246   1HG1  ILE  31          1HG1      ILE  31  -8.225 -10.286   9.628
  247   2HG1  ILE  31          2HG1      ILE  31  -7.399 -11.153   8.349
  248   1HG2  ILE  31          3HG2      ILE  31  -4.484 -10.796  10.368
  249   2HG2  ILE  31          1HG2      ILE  31  -4.833 -11.335   8.709
  250   3HG2  ILE  31          2HG2      ILE  31  -4.029  -9.771   8.987
  251   1HD1  ILE  31          2HD1      ILE  31  -6.150 -11.770  10.907
  252   2HD1  ILE  31          3HD1      ILE  31  -7.904 -12.063  10.990
  253   3HD1  ILE  31          1HD1      ILE  31  -6.924 -12.873   9.744
  254    H    GLN  32           H        GLN  32  -4.238  -8.910  12.315
  255    HA   GLN  32           HA       GLN  32  -3.186  -6.448  11.156
  256   1HB   GLN  32          1HB       GLN  32  -4.067  -6.925  13.851
  257   2HB   GLN  32          2HB       GLN  32  -2.325  -6.733  13.894
  258   1HG   GLN  32          1HG       GLN  32  -2.412  -4.554  12.915
  259   2HG   GLN  32          2HG       GLN  32  -4.040  -4.791  12.310
  260   1HE2  GLN  32          2HE2      GLN  32  -4.961  -2.729  15.006
  261   2HE2  GLN  32          1HE2      GLN  32  -4.619  -2.830  13.311
  262    H    ALA  33           H        ALA  33  -0.742  -6.181  11.655
  263    HA   ALA  33           HA       ALA  33   0.792  -8.392  12.403
  264   1HB   ALA  33          1HB       ALA  33  -0.343  -8.799   9.912
  265   2HB   ALA  33          2HB       ALA  33   1.244  -8.105   9.505
  266   3HB   ALA  33          3HB       ALA  33   1.145  -9.574  10.505
  267    H    ASP  34           H        ASP  34   3.140  -7.942  12.091
  268    HA   ASP  34           HA       ASP  34   3.637  -5.249  12.538
  269   1HB   ASP  34          1HB       ASP  34   5.039  -7.176  13.350
  270   2HB   ASP  34          2HB       ASP  34   5.574  -7.462  11.706
  271    H    GLY  35           H        GLY  35   4.808  -3.698  11.159
  272   1HA   GLY  35          1HA       GLY  35   5.158  -2.624   9.213
  273   2HA   GLY  35          2HA       GLY  35   5.870  -4.130   8.668
  274    H    LEU  36           H        LEU  36   2.487  -4.189   9.656
  275    HA   LEU  36           HA       LEU  36   1.764  -4.466   6.829
  276   1HB   LEU  36          1HB       LEU  36   1.479  -6.403   8.419
  277   2HB   LEU  36          2HB       LEU  36   0.255  -5.461   9.245
  278    HG   LEU  36           HG       LEU  36  -0.539  -5.371   6.573
  279   1HD1  LEU  36          3HD1      LEU  36   1.223  -7.557   6.810
  280   2HD1  LEU  36          1HD1      LEU  36  -0.421  -8.239   6.789
  281   3HD1  LEU  36          2HD1      LEU  36   0.118  -7.177   5.467
  282   1HD2  LEU  36          1HD2      LEU  36  -1.729  -5.799   8.908
  283   2HD2  LEU  36          2HD2      LEU  36  -2.482  -6.259   7.363
  284   3HD2  LEU  36          3HD2      LEU  36  -1.658  -7.489   8.351
  285    H    VAL  37           H        VAL  37   0.470  -2.967   5.887
  286    HA   VAL  37           HA       VAL  37  -1.042  -1.216   7.689
  287    HB   VAL  37           HB       VAL  37   0.777  -0.470   5.404
  288   1HG1  VAL  37          1HG1      VAL  37  -1.667   0.891   6.391
  289   2HG1  VAL  37          2HG1      VAL  37  -0.228   1.921   6.198
  290   3HG1  VAL  37          3HG1      VAL  37  -0.851   0.992   4.813
  291   1HG2  VAL  37          3HG2      VAL  37   1.374  -0.663   8.019
  292   2HG2  VAL  37          1HG2      VAL  37   2.099   0.559   6.948
  293   3HG2  VAL  37          2HG2      VAL  37   0.728   0.996   7.996
  294    H    TRP  38           H        TRP  38  -3.165  -1.533   7.286
  295    HA   TRP  38           HA       TRP  38  -4.013  -2.785   4.878
  296   1HB   TRP  38          1HB       TRP  38  -5.307  -1.758   7.362
  297   2HB   TRP  38          2HB       TRP  38  -6.312  -2.010   5.948
  298    HD1  TRP  38           HD       TRP  38  -5.323  -3.861   8.896
  299    HE1  TRP  38          1HE       TRP  38  -5.507  -6.484   8.672
  300    HE3  TRP  38          3HE       TRP  38  -5.654  -3.931   3.822
  301    HZ2  TRP  38          2HZ       TRP  38  -5.764  -8.254   6.449
  302    HZ3  TRP  38          3HZ       TRP  38  -5.869  -6.148   2.703
  303    HH2  TRP  38           HH       TRP  38  -5.926  -8.261   3.932
  304    H    GLY  39           H        GLY  39  -6.217  -1.516   3.944
  305   1HA   GLY  39          1HA       GLY  39  -5.607   1.310   3.531
  306   2HA   GLY  39          2HA       GLY  39  -5.522   0.266   2.125
  307    H    SER  40           H        SER  40  -7.420  -0.532   1.154
  308    HA   SER  40           HA       SER  40  -9.891  -0.222   2.556
  309   1HB   SER  40          1HB       SER  40  -9.231   1.441   0.094
  310   2HB   SER  40          2HB       SER  40 -10.880   1.124   0.595
  311    HG   SER  40           HG       SER  40  -8.872   2.710   1.861
  312    H    SER  41           H        SER  41 -11.370  -1.779   1.849
  313    HA   SER  41           HA       SER  41 -10.389  -3.483  -0.259
  314   1HB   SER  41          1HB       SER  41 -12.155  -5.059   0.546
  315   2HB   SER  41          2HB       SER  41 -11.051  -4.577   1.819
  316    HG   SER  41           HG       SER  41 -13.702  -3.508   1.341
  317    H    LYS  42           H        LYS  42 -11.983  -4.328  -1.925
  318    HA   LYS  42           HA       LYS  42 -14.051  -2.324  -2.500
  319   1HB   LYS  42          1HB       LYS  42 -12.460  -3.670  -4.676
  320   2HB   LYS  42          2HB       LYS  42 -13.450  -2.226  -4.765
  321   1HG   LYS  42          1HG       LYS  42 -11.490  -1.688  -2.765
  322   2HG   LYS  42          2HG       LYS  42 -10.626  -2.473  -4.073
  323   1HD   LYS  42          1HD       LYS  42 -12.414  -0.009  -4.315
  324   2HD   LYS  42          2HD       LYS  42 -10.666  -0.034  -4.435
  325   1HE   LYS  42          1HE       LYS  42 -11.892  -1.956  -6.295
  326   2HE   LYS  42          2HE       LYS  42 -12.504  -0.335  -6.559
  327   1HZ   LYS  42          1HZ       LYS  42  -9.674  -0.481  -6.153
  328   2HZ   LYS  42          2HZ       LYS  42 -10.195  -1.234  -7.505
  329   3HZ   LYS  42          3HZ       LYS  42 -10.525   0.349  -7.273
  330    H    LEU  43           H        LEU  43 -15.841  -3.179  -3.875
  331    HA   LEU  43           HA       LEU  43 -16.156  -6.066  -3.424
  332   1HB   LEU  43          1HB       LEU  43 -17.885  -3.771  -2.778
  333   2HB   LEU  43          2HB       LEU  43 -18.701  -5.107  -3.565
  334    HG   LEU  43           HG       LEU  43 -18.950  -5.454  -1.246
  335   1HD1  LEU  43          2HD1      LEU  43 -17.975  -7.377  -2.795
  336   2HD1  LEU  43          3HD1      LEU  43 -16.623  -7.282  -1.641
  337   3HD1  LEU  43          1HD1      LEU  43 -18.269  -7.622  -1.057
  338   1HD2  LEU  43          2HD2      LEU  43 -16.023  -4.760  -1.044
  339   2HD2  LEU  43          3HD2      LEU  43 -17.418  -4.005  -0.235
  340   3HD2  LEU  43          1HD2      LEU  43 -16.877  -5.629   0.255
  341    H    VAL  44           H        VAL  44 -17.432  -7.219  -5.052
  342    HA   VAL  44           HA       VAL  44 -17.969  -5.809  -7.508
  343    HB   VAL  44           HB       VAL  44 -15.685  -7.720  -7.164
  344   1HG1  VAL  44          1HG1      VAL  44 -17.148  -8.772  -8.836
  345   2HG1  VAL  44          2HG1      VAL  44 -17.183  -7.255  -9.766
  346   3HG1  VAL  44          3HG1      VAL  44 -15.655  -8.150  -9.579
  347   1HG2  VAL  44          3HG2      VAL  44 -16.112  -5.071  -8.568
  348   2HG2  VAL  44          1HG2      VAL  44 -15.024  -5.444  -7.210
  349   3HG2  VAL  44          2HG2      VAL  44 -14.670  -6.082  -8.833
  350    HA   PRO  45           HA       PRO  45 -20.966  -8.980  -6.859
  351   1HB   PRO  45          1HB       PRO  45 -22.996  -7.767  -8.228
  352   2HB   PRO  45          2HB       PRO  45 -22.695  -7.498  -6.523
  353   1HG   PRO  45          1HG       PRO  45 -22.116  -5.719  -8.811
  354   2HG   PRO  45          2HG       PRO  45 -22.223  -5.318  -7.108
  355   1HD   PRO  45          1HD       PRO  45 -19.825  -5.620  -8.653
  356   2HD   PRO  45          2HD       PRO  45 -19.931  -5.335  -6.928
  357    H    VAL  46           H        VAL  46 -21.391 -10.846  -7.917
  358    HA   VAL  46           HA       VAL  46 -20.742 -10.695 -10.779
  359    HB   VAL  46           HB       VAL  46 -20.355 -12.848  -8.704
  360   1HG1  VAL  46          3HG1      VAL  46 -21.051 -13.233 -11.452
  361   2HG1  VAL  46          1HG1      VAL  46 -19.344 -13.689 -11.238
  362   3HG1  VAL  46          2HG1      VAL  46 -20.602 -14.450 -10.233
  363   1HG2  VAL  46          2HG2      VAL  46 -18.691 -10.822  -9.558
  364   2HG2  VAL  46          3HG2      VAL  46 -18.167 -12.344  -8.796
  365   3HG2  VAL  46          1HG2      VAL  46 -18.179 -12.194 -10.570
  366    H    GLY  47           H        GLY  47 -22.503 -13.043  -8.643
  367   1HA   GLY  47          1HA       GLY  47 -24.960 -12.519 -10.148
  368   2HA   GLY  47          2HA       GLY  47 -24.279 -14.132 -10.230
  369    H    TYR  48           H        TYR  48 -26.866 -13.383  -9.069
  370    HA   TYR  48           HA       TYR  48 -28.107 -13.712  -7.259
  371   1HB   TYR  48          1HB       TYR  48 -25.948 -15.699  -7.397
  372   2HB   TYR  48          2HB       TYR  48 -26.306 -15.386  -5.709
  373    HD1  TYR  48          2HD       TYR  48 -28.923 -15.392  -5.123
  374    HD2  TYR  48          1HD       TYR  48 -27.153 -17.362  -8.484
  375    HE1  TYR  48          2HE       TYR  48 -30.916 -16.964  -5.261
  376    HE2  TYR  48          1HE       TYR  48 -29.152 -18.928  -8.609
  377    HH   TYR  48           HH       TYR  48 -30.985 -19.679  -6.497
  378    H    GLY  49           H        GLY  49 -27.434 -14.287  -4.525
  379   1HA   GLY  49          1HA       GLY  49 -26.719 -11.623  -3.677
  380   2HA   GLY  49          2HA       GLY  49 -27.244 -12.965  -2.679
  381    H    ILE  50           H        ILE  50 -24.480 -12.596  -5.016
  382    HA   ILE  50           HA       ILE  50 -22.687 -13.155  -2.762
  383    HB   ILE  50           HB       ILE  50 -22.713 -14.403  -5.504
  384   1HG1  ILE  50          1HG1      ILE  50 -22.415 -15.934  -2.956
  385   2HG1  ILE  50          2HG1      ILE  50 -23.991 -15.256  -3.312
  386   1HG2  ILE  50          1HG2      ILE  50 -20.477 -14.318  -3.467
  387   2HG2  ILE  50          2HG2      ILE  50 -20.577 -15.518  -4.776
  388   3HG2  ILE  50          3HG2      ILE  50 -20.440 -13.786  -5.165
  389   1HD1  ILE  50          2HD1      ILE  50 -23.237 -16.339  -5.772
  390   2HD1  ILE  50          3HD1      ILE  50 -22.588 -17.509  -4.597
  391   3HD1  ILE  50          1HD1      ILE  50 -24.322 -17.109  -4.590
  392    H    LYS  51           H        LYS  51 -20.414 -12.393  -3.181
  393    HA   LYS  51           HA       LYS  51 -20.162 -10.402  -5.253
  394   1HB   LYS  51          1HB       LYS  51 -20.522  -9.700  -2.365
  395   2HB   LYS  51          2HB       LYS  51 -19.364  -8.779  -3.304
  396   1HG   LYS  51          1HG       LYS  51 -21.066  -7.578  -4.190
  397   2HG   LYS  51          2HG       LYS  51 -21.667  -9.029  -4.965
  398   1HD   LYS  51          1HD       LYS  51 -22.972  -9.602  -2.922
  399   2HD   LYS  51          2HD       LYS  51 -22.340  -8.185  -2.106
  400   1HE   LYS  51          1HE       LYS  51 -23.696  -6.723  -3.282
  401   2HE   LYS  51          2HE       LYS  51 -23.616  -7.661  -4.760
  402   1HZ   LYS  51          3HZ       LYS  51 -25.168  -8.419  -2.381
  403   2HZ   LYS  51          1HZ       LYS  51 -25.788  -7.747  -3.735
  404   3HZ   LYS  51          2HZ       LYS  51 -25.125  -9.239  -3.792
  405    H    LYS  52           H        LYS  52 -17.855  -9.439  -5.163
  406    HA   LYS  52           HA       LYS  52 -16.084 -11.677  -4.675
  407   1HB   LYS  52          1HB       LYS  52 -16.248  -9.542  -6.570
  408   2HB   LYS  52          2HB       LYS  52 -14.725  -9.387  -5.719
  409   1HG   LYS  52          1HG       LYS  52 -14.134 -11.719  -6.230
  410   2HG   LYS  52          2HG       LYS  52 -15.716 -12.011  -6.927
  411   1HD   LYS  52          1HD       LYS  52 -14.806  -9.760  -8.336
  412   2HD   LYS  52          2HD       LYS  52 -13.351 -10.715  -8.130
  413   1HE   LYS  52          1HE       LYS  52 -14.886 -12.737  -8.908
  414   2HE   LYS  52          2HE       LYS  52 -15.924 -11.476  -9.541
  415   1HZ   LYS  52          1HZ       LYS  52 -13.384 -10.808 -10.303
  416   2HZ   LYS  52          2HZ       LYS  52 -13.490 -12.416 -10.566
  417   3HZ   LYS  52          3HZ       LYS  52 -14.569 -11.403 -11.257
  418    H    LEU  53           H        LEU  53 -14.669 -11.843  -2.999
  419    HA   LEU  53           HA       LEU  53 -14.752  -9.695  -1.048
  420   1HB   LEU  53          1HB       LEU  53 -14.595 -12.533  -0.977
  421   2HB   LEU  53          2HB       LEU  53 -13.130 -11.905  -0.249
  422    HG   LEU  53           HG       LEU  53 -15.203 -12.382   1.235
  423   1HD1  LEU  53          2HD1      LEU  53 -13.292 -10.100   1.336
  424   2HD1  LEU  53          3HD1      LEU  53 -14.631 -10.109   2.509
  425   3HD1  LEU  53          1HD1      LEU  53 -13.500 -11.481   2.439
  426   1HD2  LEU  53          1HD2      LEU  53 -16.442 -10.643  -0.494
  427   2HD2  LEU  53          2HD2      LEU  53 -17.027 -11.093   1.125
  428   3HD2  LEU  53          3HD2      LEU  53 -16.080  -9.602   0.904
  429    H    GLN  54           H        GLN  54 -13.566  -8.301  -2.724
  430    HA   GLN  54           HA       GLN  54 -10.763  -8.989  -2.869
  431   1HB   GLN  54          1HB       GLN  54 -11.637  -8.279  -4.971
  432   2HB   GLN  54          2HB       GLN  54 -12.514  -6.939  -4.260
  433   1HG   GLN  54          1HG       GLN  54 -10.675  -5.561  -4.255
  434   2HG   GLN  54          2HG       GLN  54  -9.586  -6.843  -3.759
  435   1HE2  GLN  54          2HE2      GLN  54 -10.164  -5.855  -7.697
  436   2HE2  GLN  54          1HE2      GLN  54 -11.088  -5.177  -6.400
  437    H    ILE  55           H        ILE  55  -9.093  -7.710  -1.951
  438    HA   ILE  55           HA       ILE  55  -9.887  -5.350  -0.465
  439    HB   ILE  55           HB       ILE  55  -9.562  -6.112   1.605
  440   1HG1  ILE  55          1HG1      ILE  55  -7.139  -6.489   1.176
  441   2HG1  ILE  55          2HG1      ILE  55  -7.835  -7.592   2.346
  442   1HG2  ILE  55          1HG2      ILE  55 -10.010  -8.750   0.185
  443   2HG2  ILE  55          2HG2      ILE  55 -10.220  -8.471   1.930
  444   3HG2  ILE  55          3HG2      ILE  55 -11.256  -7.617   0.761
  445   1HD1  ILE  55          3HD1      ILE  55  -7.428  -8.239  -0.612
  446   2HD1  ILE  55          1HD1      ILE  55  -6.352  -8.760   0.707
  447   3HD1  ILE  55          2HD1      ILE  55  -8.026  -9.359   0.635
  448    H    GLN  56           H        GLN  56  -7.933  -4.123   0.306
  449    HA   GLN  56           HA       GLN  56  -5.597  -4.853  -1.273
  450   1HB   GLN  56          1HB       GLN  56  -6.716  -3.093  -2.522
  451   2HB   GLN  56          2HB       GLN  56  -6.921  -2.117  -1.081
  452   1HG   GLN  56          1HG       GLN  56  -4.100  -2.834  -1.473
  453   2HG   GLN  56          2HG       GLN  56  -4.747  -2.031  -2.891
  454   1HE2  GLN  56          2HE2      GLN  56  -3.641   0.094   0.284
  455   2HE2  GLN  56          1HE2      GLN  56  -3.182  -1.531  -0.103
  456    H    CYS  57           H        CYS  57  -3.561  -4.341  -0.316
  457    HA   CYS  57           HA       CYS  57  -3.690  -3.065   2.298
  458   1HB   CYS  57          1HB       CYS  57  -2.038  -4.879   3.103
  459   2HB   CYS  57          2HB       CYS  57  -3.746  -5.268   3.057
  460    HG   CYS  57           HG       CYS  57  -2.188  -5.655   0.254
  461    H    VAL  58           H        VAL  58  -1.182  -2.838   3.051
  462    HA   VAL  58           HA       VAL  58   0.446  -2.307   0.677
  463    HB   VAL  58           HB       VAL  58  -0.113  -0.397   2.954
  464   1HG1  VAL  58          1HG1      VAL  58   2.302  -0.499   2.135
  465   2HG1  VAL  58          2HG1      VAL  58   1.694   0.118   0.580
  466   3HG1  VAL  58          3HG1      VAL  58   1.501   1.088   2.061
  467   1HG2  VAL  58          3HG2      VAL  58  -1.214  -0.722   0.264
  468   2HG2  VAL  58          1HG2      VAL  58  -1.799   0.255   1.631
  469   3HG2  VAL  58          2HG2      VAL  58  -0.551   0.906   0.541
  470    H    VAL  59           H        VAL  59   1.620  -4.237   1.167
  471    HA   VAL  59           HA       VAL  59   2.805  -4.446   3.792
  472    HB   VAL  59           HB       VAL  59   3.414  -6.587   3.171
  473   1HG1  VAL  59          1HG1      VAL  59   0.891  -6.084   3.101
  474   2HG1  VAL  59          2HG1      VAL  59   1.039  -6.233   1.334
  475   3HG1  VAL  59          3HG1      VAL  59   1.449  -7.613   2.381
  476   1HG2  VAL  59          3HG2      VAL  59   3.401  -5.572   0.324
  477   2HG2  VAL  59          1HG2      VAL  59   4.740  -6.290   1.251
  478   3HG2  VAL  59          2HG2      VAL  59   3.391  -7.311   0.701
  479    H    GLU  60           H        GLU  60   5.311  -5.159   3.658
  480    HA   GLU  60           HA       GLU  60   6.575  -2.821   2.609
  481   1HB   GLU  60          1HB       GLU  60   7.247  -4.988   4.538
  482   2HB   GLU  60          2HB       GLU  60   8.614  -4.348   3.648
  483   1HG   GLU  60          1HG       GLU  60   8.614  -2.758   5.306
  484   2HG   GLU  60          2HG       GLU  60   7.391  -2.001   4.304
  485    H    ASP  61           H        ASP  61   9.127  -3.654   1.882
  486    HA   ASP  61           HA       ASP  61   8.594  -4.642  -0.704
  487   1HB   ASP  61          1HB       ASP  61  10.365  -3.095  -0.630
  488   2HB   ASP  61          2HB       ASP  61  11.022  -3.761   0.853
  489    H    ASP  62           H        ASP  62  10.660  -5.766   2.090
  490    HA   ASP  62           HA       ASP  62  10.134  -8.484   1.197
  491   1HB   ASP  62          1HB       ASP  62  12.459  -7.741   0.558
  492   2HB   ASP  62          2HB       ASP  62  12.796  -7.414   2.246
  493    H    LYS  63           H        LYS  63   9.019  -6.594   3.326
  494    HA   LYS  63           HA       LYS  63   9.960  -7.953   5.744
  495   1HB   LYS  63          1HB       LYS  63   9.496  -5.247   5.179
  496   2HB   LYS  63          2HB       LYS  63   8.130  -5.730   6.164
  497   1HG   LYS  63          1HG       LYS  63   9.609  -5.274   7.877
  498   2HG   LYS  63          2HG       LYS  63  10.065  -6.944   7.603
  499   1HD   LYS  63          1HD       LYS  63  11.622  -5.611   5.720
  500   2HD   LYS  63          2HD       LYS  63  11.584  -4.455   7.037
  501   1HE   LYS  63          1HE       LYS  63  12.159  -6.506   8.577
  502   2HE   LYS  63          2HE       LYS  63  12.597  -7.321   7.088
  503   1HZ   LYS  63          3HZ       LYS  63  13.687  -4.713   7.886
  504   2HZ   LYS  63          1HZ       LYS  63  14.435  -6.138   8.168
  505   3HZ   LYS  63          2HZ       LYS  63  14.181  -5.637   6.634
  506    H    VAL  64           H        VAL  64   7.096  -7.212   3.711
  507    HA   VAL  64           HA       VAL  64   5.754  -9.446   5.018
  508    HB   VAL  64           HB       VAL  64   4.667  -6.644   4.727
  509   1HG1  VAL  64          2HG1      VAL  64   3.059  -8.446   3.942
  510   2HG1  VAL  64          3HG1      VAL  64   3.078  -9.066   5.610
  511   3HG1  VAL  64          1HG1      VAL  64   2.489  -7.420   5.279
  512   1HG2  VAL  64          3HG2      VAL  64   6.012  -7.189   6.765
  513   2HG2  VAL  64          1HG2      VAL  64   4.323  -6.745   7.112
  514   3HG2  VAL  64          2HG2      VAL  64   4.823  -8.454   7.159
  515    H    GLY  65           H        GLY  65   4.242 -10.532   3.643
  516   1HA   GLY  65          1HA       GLY  65   4.309  -9.627   0.827
  517   2HA   GLY  65          2HA       GLY  65   4.601 -11.293   1.284
  518    H    THR  66           H        THR  66   2.873 -12.685   1.597
  519    HA   THR  66           HA       THR  66   0.292 -11.722   2.326
  520    HB   THR  66           HB       THR  66   0.936 -12.393  -0.578
  521    HG1  THR  66          1HG       THR  66   0.815 -10.169  -0.149
  522   1HG2  THR  66          3HG2      THR  66  -1.684 -12.642   0.946
  523   2HG2  THR  66          1HG2      THR  66  -1.684 -12.109  -0.751
  524   3HG2  THR  66          2HG2      THR  66  -1.033 -13.708  -0.322
  525    H    ASP  67           H        ASP  67   2.412 -13.662   3.141
  526    HA   ASP  67           HA       ASP  67   1.156 -16.176   2.548
  527   1HB   ASP  67          1HB       ASP  67   3.018 -17.070   4.040
  528   2HB   ASP  67          2HB       ASP  67   3.560 -16.221   2.606
  529    H    MET  68           H        MET  68   1.820 -13.925   5.306
  530    HA   MET  68           HA       MET  68   0.545 -15.600   7.196
  531   1HB   MET  68          1HB       MET  68   2.337 -13.541   7.344
  532   2HB   MET  68          2HB       MET  68   0.872 -12.629   7.646
  533   1HG   MET  68          1HG       MET  68   0.409 -14.692   9.349
  534   2HG   MET  68          2HG       MET  68   2.160 -14.769   9.326
  535   1HE   MET  68          1HE       MET  68  -0.703 -12.407   9.158
  536   2HE   MET  68          2HE       MET  68  -0.898 -12.550  10.922
  537   3HE   MET  68          3HE       MET  68  -0.300 -11.031  10.212
  538    H    LEU  69           H        LEU  69  -0.320 -12.470   5.564
  539    HA   LEU  69           HA       LEU  69  -2.774 -12.111   6.757
  540   1HB   LEU  69          1HB       LEU  69  -1.719 -11.357   4.035
  541   2HB   LEU  69          2HB       LEU  69  -3.299 -10.858   4.608
  542    HG   LEU  69           HG       LEU  69  -0.647 -10.182   5.913
  543   1HD1  LEU  69          3HD1      LEU  69  -2.248  -8.884   3.819
  544   2HD1  LEU  69          1HD1      LEU  69  -1.816  -7.815   5.175
  545   3HD1  LEU  69          2HD1      LEU  69  -0.540  -8.664   4.271
  546   1HD2  LEU  69          3HD2      LEU  69  -3.305 -10.182   6.986
  547   2HD2  LEU  69          1HD2      LEU  69  -1.775  -9.700   7.757
  548   3HD2  LEU  69          2HD2      LEU  69  -2.728  -8.504   6.846
  549    H    GLU  70           H        GLU  70  -1.742 -14.398   4.257
  550    HA   GLU  70           HA       GLU  70  -4.378 -14.969   3.409
  551   1HB   GLU  70          1HB       GLU  70  -2.482 -15.339   1.910
  552   2HB   GLU  70          2HB       GLU  70  -1.737 -16.446   3.045
  553   1HG   GLU  70          1HG       GLU  70  -4.041 -17.767   2.826
  554   2HG   GLU  70          2HG       GLU  70  -4.198 -16.864   1.332
  555    H    GLU  71           H        GLU  71  -1.917 -16.802   5.370
  556    HA   GLU  71           HA       GLU  71  -3.608 -18.869   6.028
  557   1HB   GLU  71          1HB       GLU  71  -1.895 -19.588   7.439
  558   2HB   GLU  71          2HB       GLU  71  -1.014 -18.526   6.358
  559   1HG   GLU  71          1HG       GLU  71  -1.233 -16.658   8.003
  560   2HG   GLU  71          2HG       GLU  71  -2.135 -17.706   9.080
  561    H    GLN  72           H        GLN  72  -3.762 -15.571   6.943
  562    HA   GLN  72           HA       GLN  72  -5.072 -16.194   9.448
  563   1HB   GLN  72          1HB       GLN  72  -4.336 -13.505   8.208
  564   2HB   GLN  72          2HB       GLN  72  -5.032 -13.721   9.801
  565   1HG   GLN  72          1HG       GLN  72  -2.694 -15.453   9.461
  566   2HG   GLN  72          2HG       GLN  72  -2.278 -13.786   9.113
  567   1HE2  GLN  72          2HE2      GLN  72  -2.113 -14.817  12.824
  568   2HE2  GLN  72          1HE2      GLN  72  -1.700 -15.671  11.375
  569    H    ILE  73           H        ILE  73  -5.651 -14.597   6.256
  570    HA   ILE  73           HA       ILE  73  -8.391 -14.077   6.868
  571    HB   ILE  73           HB       ILE  73  -6.754 -13.914   4.341
  572   1HG1  ILE  73          1HG1      ILE  73  -7.936 -11.547   5.724
  573   2HG1  ILE  73          2HG1      ILE  73  -6.559 -12.322   6.484
  574   1HG2  ILE  73          2HG2      ILE  73  -9.682 -13.610   4.783
  575   2HG2  ILE  73          3HG2      ILE  73  -8.878 -12.409   3.743
  576   3HG2  ILE  73          1HG2      ILE  73  -8.780 -14.140   3.342
  577   1HD1  ILE  73          2HD1      ILE  73  -5.931 -12.168   3.705
  578   2HD1  ILE  73          3HD1      ILE  73  -6.608 -10.587   4.162
  579   3HD1  ILE  73          1HD1      ILE  73  -5.200 -11.238   5.036
  580    H    THR  74           H        THR  74  -6.632 -16.394   4.694
  581    HA   THR  74           HA       THR  74  -9.022 -17.792   4.037
  582    HB   THR  74           HB       THR  74  -7.502 -19.182   2.771
  583    HG1  THR  74          1HG       THR  74  -5.959 -19.734   4.353
  584   1HG2  THR  74          1HG2      THR  74  -7.418 -16.544   2.306
  585   2HG2  THR  74          2HG2      THR  74  -5.775 -16.701   2.974
  586   3HG2  THR  74          3HG2      THR  74  -6.240 -17.628   1.526
  587    H    ALA  75           H        ALA  75  -7.065 -17.696   6.858
  588    HA   ALA  75           HA       ALA  75  -7.009 -20.287   7.716
  589   1HB   ALA  75          2HB       ALA  75  -6.639 -17.681   8.781
  590   2HB   ALA  75          3HB       ALA  75  -7.757 -18.522   9.883
  591   3HB   ALA  75          1HB       ALA  75  -6.168 -19.234   9.512
  592    H    PHE  76           H        PHE  76  -9.773 -18.158   7.220
  593    HA   PHE  76           HA       PHE  76 -11.496 -19.870   8.801
  594   1HB   PHE  76          1HB       PHE  76 -11.443 -17.161   7.577
  595   2HB   PHE  76          2HB       PHE  76 -12.972 -17.963   7.279
  596    HD1  PHE  76          2HD       PHE  76 -13.469 -19.448   9.724
  597    HD2  PHE  76          1HD       PHE  76 -11.792 -15.581   9.224
  598    HE1  PHE  76          2HE       PHE  76 -14.250 -18.812  12.024
  599    HE2  PHE  76          1HE       PHE  76 -12.573 -14.946  11.524
  600    HZ   PHE  76           HZ       PHE  76 -13.792 -16.569  12.895
  601    H    GLU  77           H        GLU  77 -11.325 -21.856   7.564
  602    HA   GLU  77           HA       GLU  77 -11.967 -21.806   4.811
  603   1HB   GLU  77          1HB       GLU  77 -10.879 -23.668   6.684
  604   2HB   GLU  77          2HB       GLU  77 -12.303 -24.430   6.005
  605   1HG   GLU  77          1HG       GLU  77 -10.448 -23.026   4.092
  606   2HG   GLU  77          2HG       GLU  77  -9.892 -24.536   4.787
  607    H    ASP  78           H        ASP  78 -13.838 -21.308   7.542
  608    HA   ASP  78           HA       ASP  78 -16.104 -22.785   6.528
  609   1HB   ASP  78          1HB       ASP  78 -15.430 -21.338   9.092
  610   2HB   ASP  78          2HB       ASP  78 -17.121 -21.541   8.683
  611    H    TYR  79           H        TYR  79 -14.732 -20.216   5.364
  612    HA   TYR  79           HA       TYR  79 -17.211 -18.802   4.880
  613   1HB   TYR  79          1HB       TYR  79 -14.706 -17.773   6.312
  614   2HB   TYR  79          2HB       TYR  79 -15.678 -16.649   5.382
  615    HD1  TYR  79          2HD       TYR  79 -18.168 -16.409   6.002
  616    HD2  TYR  79          1HD       TYR  79 -15.301 -18.337   8.526
  617    HE1  TYR  79          2HE       TYR  79 -19.708 -16.098   8.000
  618    HE2  TYR  79          1HE       TYR  79 -16.851 -18.019  10.515
  619    HH   TYR  79           HH       TYR  79 -18.750 -17.282  11.214
  620    H    VAL  80           H        VAL  80 -13.634 -19.020   4.398
  621    HA   VAL  80           HA       VAL  80 -13.875 -17.744   1.820
  622    HB   VAL  80           HB       VAL  80 -11.576 -18.905   3.398
  623   1HG1  VAL  80          1HG1      VAL  80 -11.737 -18.393   0.567
  624   2HG1  VAL  80          2HG1      VAL  80 -10.601 -17.247   1.319
  625   3HG1  VAL  80          3HG1      VAL  80 -10.366 -18.998   1.527
  626   1HG2  VAL  80          3HG2      VAL  80 -12.746 -16.186   3.020
  627   2HG2  VAL  80          1HG2      VAL  80 -11.980 -16.920   4.450
  628   3HG2  VAL  80          2HG2      VAL  80 -10.973 -16.310   3.114
  629    H    GLN  81           H        GLN  81 -14.155 -18.778  -0.098
  630    HA   GLN  81           HA       GLN  81 -14.392 -21.629   0.016
  631   1HB   GLN  81          1HB       GLN  81 -16.044 -20.137  -1.181
  632   2HB   GLN  81          2HB       GLN  81 -14.796 -19.744  -2.346
  633   1HG   GLN  81          1HG       GLN  81 -14.649 -22.489  -2.387
  634   2HG   GLN  81          2HG       GLN  81 -16.346 -22.277  -2.005
  635   1HE2  GLN  81          2HE2      GLN  81 -16.256 -22.417  -5.635
  636   2HE2  GLN  81          1HE2      GLN  81 -16.062 -23.438  -4.249
  637    H    SER  82           H        SER  82 -12.258 -19.126  -1.407
  638    HA   SER  82           HA       SER  82 -10.092 -20.812  -1.495
  639   1HB   SER  82          1HB       SER  82 -11.704 -20.698  -4.045
  640   2HB   SER  82          2HB       SER  82  -9.956 -20.766  -4.161
  641    HG   SER  82           HG       SER  82 -10.334 -22.890  -4.027
  642    H    MET  83           H        MET  83  -8.516 -19.294  -1.145
  643    HA   MET  83           HA       MET  83  -8.987 -16.626  -2.088
  644   1HB   MET  83          1HB       MET  83  -8.137 -16.874   0.184
  645   2HB   MET  83          2HB       MET  83  -6.877 -17.978  -0.332
  646   1HG   MET  83          1HG       MET  83  -6.925 -15.183  -1.497
  647   2HG   MET  83          2HG       MET  83  -6.327 -15.405   0.135
  648   1HE   MET  83          1HE       MET  83  -4.248 -15.039   0.299
  649   2HE   MET  83          2HE       MET  83  -2.861 -15.856  -0.461
  650   3HE   MET  83          3HE       MET  83  -3.648 -14.486  -1.283
  651    H    ASP  84           H        ASP  84  -7.411 -15.388  -3.359
  652    HA   ASP  84           HA       ASP  84  -5.358 -16.919  -4.646
  653   1HB   ASP  84          1HB       ASP  84  -7.868 -15.975  -6.009
  654   2HB   ASP  84          2HB       ASP  84  -6.370 -15.769  -6.893
  655    H    VAL  85           H        VAL  85  -4.595 -15.119  -6.637
  656    HA   VAL  85           HA       VAL  85  -4.225 -12.638  -5.113
  657    HB   VAL  85           HB       VAL  85  -2.255 -14.138  -5.655
  658   1HG1  VAL  85          3HG1      VAL  85  -2.973 -14.727  -7.957
  659   2HG1  VAL  85          1HG1      VAL  85  -2.678 -13.044  -8.457
  660   3HG1  VAL  85          2HG1      VAL  85  -1.325 -14.057  -7.899
  661   1HG2  VAL  85          2HG2      VAL  85  -2.487 -11.386  -5.480
  662   2HG2  VAL  85          3HG2      VAL  85  -0.968 -12.313  -5.434
  663   3HG2  VAL  85          1HG2      VAL  85  -1.538 -11.617  -6.970
  664    H    ALA  86           H        ALA  86  -4.530 -10.620  -6.153
  665    HA   ALA  86           HA       ALA  86  -6.085 -10.845  -8.633
  666   1HB   ALA  86          1HB       ALA  86  -6.641  -9.624  -6.153
  667   2HB   ALA  86          2HB       ALA  86  -6.258  -8.286  -7.262
  668   3HB   ALA  86          3HB       ALA  86  -7.551  -9.438  -7.671
  669    H    ALA  87           H        ALA  87  -3.135  -9.705  -7.149
  670    HA   ALA  87           HA       ALA  87  -1.922  -9.074  -9.532
  671   1HB   ALA  87          2HB       ALA  87  -3.798  -7.101  -8.933
  672   2HB   ALA  87          3HB       ALA  87  -2.268  -6.415  -8.337
  673   3HB   ALA  87          1HB       ALA  87  -2.412  -6.928 -10.036
  674    H    PHE  88           H        PHE  88   0.204  -7.806  -9.106
  675    HA   PHE  88           HA       PHE  88   0.972  -7.706  -6.336
  676   1HB   PHE  88          1HB       PHE  88   1.301 -10.074  -7.914
  677   2HB   PHE  88          2HB       PHE  88   2.879  -9.315  -7.931
  678    HD1  PHE  88          2HD       PHE  88   0.225 -10.551  -5.653
  679    HD2  PHE  88          1HD       PHE  88   4.312  -9.489  -6.079
  680    HE1  PHE  88          2HE       PHE  88   0.711 -11.508  -3.384
  681    HE2  PHE  88          1HE       PHE  88   4.797 -10.448  -3.810
  682    HZ   PHE  88           HZ       PHE  88   2.990 -11.445  -2.489
  683    H    ASN  89           H        ASN  89   1.588  -5.551  -6.566
  684    HA   ASN  89           HA       ASN  89   3.982  -5.186  -8.111
  685   1HB   ASN  89          1HB       ASN  89   1.366  -3.728  -8.628
  686   2HB   ASN  89          2HB       ASN  89   2.879  -2.883  -8.893
  687   1HD2  ASN  89          2HD2      ASN  89   1.407  -5.409 -11.637
  688   2HD2  ASN  89          1HD2      ASN  89   0.557  -4.779 -10.266
  689    H    LYS  90           H        LYS  90   4.585  -2.592  -7.714
  690    HA   LYS  90           HA       LYS  90   4.642  -2.345  -4.859
  691   1HB   LYS  90          1HB       LYS  90   6.620  -1.896  -6.261
  692   2HB   LYS  90          2HB       LYS  90   5.779  -0.573  -7.043
  693   1HG   LYS  90          1HG       LYS  90   5.545   0.597  -4.859
  694   2HG   LYS  90          2HG       LYS  90   6.327  -0.742  -4.041
  695   1HD   LYS  90          1HD       LYS  90   8.174   0.631  -4.338
  696   2HD   LYS  90          2HD       LYS  90   8.268  -0.281  -5.832
  697   1HE   LYS  90          1HE       LYS  90   6.555   2.196  -5.845
  698   2HE   LYS  90          2HE       LYS  90   8.292   2.426  -5.786
  699   1HZ   LYS  90          3HZ       LYS  90   7.688   0.464  -7.674
  700   2HZ   LYS  90          1HZ       LYS  90   6.765   1.777  -7.978
  701   3HZ   LYS  90          2HZ       LYS  90   8.392   1.918  -7.909
  702    H    ILE  91           H        ILE  91   4.184  -0.193  -3.855
  703    HA   ILE  91           HA       ILE  91   1.658   0.926  -4.978
  704    HB   ILE  91           HB       ILE  91   1.250  -0.417  -2.966
  705   1HG1  ILE  91          1HG1      ILE  91   0.953   2.087  -1.576
  706   2HG1  ILE  91          2HG1      ILE  91   0.651   2.360  -3.310
  707   1HG2  ILE  91          3HG2      ILE  91   3.771   0.380  -2.203
  708   2HG2  ILE  91          1HG2      ILE  91   2.748   1.412  -1.177
  709   3HG2  ILE  91          2HG2      ILE  91   2.574  -0.358  -1.111
  710   1HD1  ILE  91          3HD1      ILE  91  -0.745   0.104  -3.076
  711   2HD1  ILE  91          1HD1      ILE  91  -0.812   0.589  -1.365
  712   3HD1  ILE  91          2HD1      ILE  91  -1.461   1.670  -2.621
   
  No H/Q in entry =         712
  Start of MODEL    3
    1   1H    MET   1          3HN       MET   1  15.304  -4.893   7.602
    2   2H    MET   1           H        MET   1  14.982  -4.863   9.227
    3   3H    MET   1          2HN       MET   1  13.834  -4.360   8.145
    4    HA   MET   1           HA       MET   1  14.664  -2.432   9.015
    5   1HB   MET   1          1HB       MET   1  17.049  -4.090   9.210
    6   2HB   MET   1          2HB       MET   1  17.429  -2.506   8.494
    7   1HG   MET   1          1HG       MET   1  15.686  -1.824  10.512
    8   2HG   MET   1          2HG       MET   1  16.545  -3.197  11.229
    9   1HE   MET   1          1HE       MET   1  16.966  -1.358  13.062
   10   2HE   MET   1          2HE       MET   1  18.130  -0.022  12.905
   11   3HE   MET   1          3HE       MET   1  16.525   0.103  12.147
   12    H    LEU   2           H        LEU   2  13.980  -3.677   6.280
   13    HA   LEU   2           HA       LEU   2  15.592  -1.909   4.600
   14   1HB   LEU   2          1HB       LEU   2  14.772  -3.202   2.742
   15   2HB   LEU   2          2HB       LEU   2  15.511  -4.239   3.946
   16    HG   LEU   2           HG       LEU   2  12.594  -3.942   4.251
   17   1HD1  LEU   2          2HD1      LEU   2  13.667  -4.429   1.619
   18   2HD1  LEU   2          3HD1      LEU   2  12.791  -5.863   2.208
   19   3HD1  LEU   2          1HD1      LEU   2  11.974  -4.283   2.148
   20   1HD2  LEU   2          1HD2      LEU   2  13.915  -5.510   5.579
   21   2HD2  LEU   2          2HD2      LEU   2  12.718  -6.363   4.576
   22   3HD2  LEU   2          3HD2      LEU   2  14.431  -6.348   4.096
   23    H    VAL   3           H        VAL   3  14.429  -0.619   2.917
   24    HA   VAL   3           HA       VAL   3  11.909   0.367   4.055
   25    HB   VAL   3           HB       VAL   3  14.157   1.750   3.734
   26   1HG1  VAL   3          1HG1      VAL   3  14.031   1.183   1.207
   27   2HG1  VAL   3          2HG1      VAL   3  12.765   2.432   1.145
   28   3HG1  VAL   3          3HG1      VAL   3  14.407   2.855   1.688
   29   1HG2  VAL   3          3HG2      VAL   3  11.484   2.337   4.221
   30   2HG2  VAL   3          1HG2      VAL   3  12.860   3.451   4.398
   31   3HG2  VAL   3          2HG2      VAL   3  11.921   3.431   2.886
   32    H    ALA   4           H        ALA   4  10.668   1.613   2.065
   33    HA   ALA   4           HA       ALA   4   9.713   1.464   0.039
   34   1HB   ALA   4          1HB       ALA   4  12.036   0.379  -0.614
   35   2HB   ALA   4          2HB       ALA   4  11.092  -1.130  -0.624
   36   3HB   ALA   4          3HB       ALA   4  10.630   0.215  -1.694
   37    H    LYS   5           H        LYS   5   7.591   0.915   0.032
   38    HA   LYS   5           HA       LYS   5   6.920  -1.711   1.168
   39   1HB   LYS   5          1HB       LYS   5   5.569   0.973   1.472
   40   2HB   LYS   5          2HB       LYS   5   4.708  -0.527   1.751
   41   1HG   LYS   5          1HG       LYS   5   7.266  -0.679   3.103
   42   2HG   LYS   5          2HG       LYS   5   6.506   0.842   3.529
   43   1HD   LYS   5          1HD       LYS   5   4.344  -0.575   3.942
   44   2HD   LYS   5          2HD       LYS   5   5.407  -1.968   3.910
   45   1HE   LYS   5          1HE       LYS   5   5.309  -1.388   6.212
   46   2HE   LYS   5          2HE       LYS   5   6.840  -0.721   5.682
   47   1HZ   LYS   5          1HZ       LYS   5   4.359   0.844   5.736
   48   2HZ   LYS   5          2HZ       LYS   5   5.421   0.807   6.976
   49   3HZ   LYS   5          3HZ       LYS   5   5.877   1.406   5.527
   50    H    SER   6           H        SER   6   4.558  -2.349   0.373
   51    HA   SER   6           HA       SER   6   4.038  -1.439  -2.283
   52   1HB   SER   6          1HB       SER   6   5.721  -3.089  -2.830
   53   2HB   SER   6          2HB       SER   6   5.025  -4.265  -1.733
   54    HG   SER   6           HG       SER   6   3.352  -4.667  -3.129
   55    H    SER   7           H        SER   7   2.034  -2.735  -3.188
   56    HA   SER   7           HA       SER   7   0.414  -3.588  -0.921
   57   1HB   SER   7          1HB       SER   7  -0.363  -1.372  -1.459
   58   2HB   SER   7          2HB       SER   7  -0.326  -1.694  -3.182
   59    HG   SER   7           HG       SER   7  -2.111  -3.103  -2.976
   60    H    ILE   8           H        ILE   8  -1.250  -5.197  -1.451
   61    HA   ILE   8           HA       ILE   8  -1.037  -6.327  -4.134
   62    HB   ILE   8           HB       ILE   8  -0.705  -7.911  -1.584
   63   1HG1  ILE   8          1HG1      ILE   8   1.535  -8.453  -2.839
   64   2HG1  ILE   8          2HG1      ILE   8   1.238  -6.934  -3.660
   65   1HG2  ILE   8          3HG2      ILE   8  -2.019  -8.959  -3.520
   66   2HG2  ILE   8          1HG2      ILE   8  -0.471  -8.970  -4.398
   67   3HG2  ILE   8          2HG2      ILE   8  -0.635  -9.866  -2.869
   68   1HD1  ILE   8          3HD1      ILE   8   0.714  -6.387  -0.930
   69   2HD1  ILE   8          1HD1      ILE   8   2.182  -7.396  -0.939
   70   3HD1  ILE   8          2HD1      ILE   8   2.138  -5.879  -1.869
   71    H    LEU   9           H        LEU   9  -3.044  -6.456  -4.970
   72    HA   LEU   9           HA       LEU   9  -5.286  -6.259  -3.163
   73   1HB   LEU   9          1HB       LEU   9  -5.057  -4.917  -5.251
   74   2HB   LEU   9          2HB       LEU   9  -5.219  -6.395  -6.180
   75    HG   LEU   9           HG       LEU   9  -7.470  -6.672  -4.864
   76   1HD1  LEU   9          1HD1      LEU   9  -6.919  -3.712  -4.544
   77   2HD1  LEU   9          2HD1      LEU   9  -8.529  -4.456  -4.388
   78   3HD1  LEU   9          3HD1      LEU   9  -7.227  -4.911  -3.264
   79   1HD2  LEU   9          3HD2      LEU   9  -6.883  -4.890  -7.210
   80   2HD2  LEU   9          1HD2      LEU   9  -7.647  -6.497  -7.162
   81   3HD2  LEU   9          2HD2      LEU   9  -8.549  -5.067  -6.606
   82    H    LEU  10           H        LEU  10  -5.957  -8.077  -2.149
   83    HA   LEU  10           HA       LEU  10  -5.546 -10.628  -3.440
   84   1HB   LEU  10          1HB       LEU  10  -6.379  -9.691  -0.721
   85   2HB   LEU  10          2HB       LEU  10  -6.736 -11.334  -1.213
   86    HG   LEU  10           HG       LEU  10  -4.255 -11.589  -1.740
   87   1HD1  LEU  10          1HD1      LEU  10  -4.289  -8.803  -0.995
   88   2HD1  LEU  10          2HD1      LEU  10  -3.204  -9.720   0.077
   89   3HD1  LEU  10          3HD1      LEU  10  -2.972  -9.780  -1.686
   90   1HD2  LEU  10          1HD2      LEU  10  -5.558 -12.365   0.353
   91   2HD2  LEU  10          2HD2      LEU  10  -3.778 -12.331   0.411
   92   3HD2  LEU  10          3HD2      LEU  10  -4.718 -11.031   1.181
   93    H    ASP  11           H        ASP  11  -7.263 -12.146  -3.899
   94    HA   ASP  11           HA       ASP  11  -9.845 -10.825  -4.175
   95   1HB   ASP  11          1HB       ASP  11  -8.115 -11.794  -6.251
   96   2HB   ASP  11          2HB       ASP  11  -9.467 -12.906  -6.169
   97    H    VAL  12           H        VAL  12 -10.856 -11.924  -2.418
   98    HA   VAL  12           HA       VAL  12 -10.568 -14.835  -2.351
   99    HB   VAL  12           HB       VAL  12 -11.516 -12.797  -0.332
  100   1HG1  VAL  12          1HG1      VAL  12 -11.520 -15.826  -0.177
  101   2HG1  VAL  12          2HG1      VAL  12 -11.649 -14.761   1.242
  102   3HG1  VAL  12          3HG1      VAL  12 -12.906 -14.723  -0.017
  103   1HG2  VAL  12          1HG2      VAL  12  -9.086 -14.610  -0.473
  104   2HG2  VAL  12          2HG2      VAL  12  -9.120 -12.831  -0.525
  105   3HG2  VAL  12          3HG2      VAL  12  -9.563 -13.686   0.971
  106    H    LYS  13           H        LYS  13 -12.538 -16.151  -2.026
  107    HA   LYS  13           HA       LYS  13 -14.908 -14.817  -3.133
  108   1HB   LYS  13          1HB       LYS  13 -13.568 -16.335  -4.736
  109   2HB   LYS  13          2HB       LYS  13 -14.164 -17.671  -3.772
  110   1HG   LYS  13          1HG       LYS  13 -16.167 -15.616  -4.699
  111   2HG   LYS  13          2HG       LYS  13 -15.530 -16.726  -5.895
  112   1HD   LYS  13          1HD       LYS  13 -16.308 -18.661  -4.656
  113   2HD   LYS  13          2HD       LYS  13 -16.666 -17.694  -3.238
  114   1HE   LYS  13          1HE       LYS  13 -18.787 -18.056  -4.283
  115   2HE   LYS  13          2HE       LYS  13 -18.364 -16.405  -4.690
  116   1HZ   LYS  13          3HZ       LYS  13 -17.430 -17.320  -6.780
  117   2HZ   LYS  13          1HZ       LYS  13 -18.086 -18.768  -6.406
  118   3HZ   LYS  13          2HZ       LYS  13 -19.051 -17.473  -6.646
  119    HA   PRO  14           HA       PRO  14 -16.643 -16.427   0.508
  120   1HB   PRO  14          1HB       PRO  14 -19.199 -15.534   0.143
  121   2HB   PRO  14          2HB       PRO  14 -17.924 -14.539   0.818
  122   1HG   PRO  14          1HG       PRO  14 -19.114 -14.444  -1.888
  123   2HG   PRO  14          2HG       PRO  14 -18.167 -13.223  -1.060
  124   1HD   PRO  14          1HD       PRO  14 -17.262 -14.977  -3.142
  125   2HD   PRO  14          2HD       PRO  14 -16.289 -13.836  -2.235
  126    H    TRP  15           H        TRP  15 -17.418 -18.347   1.207
  127    HA   TRP  15           HA       TRP  15 -17.773 -20.376  -0.537
  128   1HB   TRP  15          1HB       TRP  15 -18.452 -19.858   2.264
  129   2HB   TRP  15          2HB       TRP  15 -19.492 -21.049   1.510
  130    HD1  TRP  15           HD       TRP  15 -16.572 -21.145   3.531
  131    HE1  TRP  15          1HE       TRP  15 -14.964 -23.201   3.137
  132    HE3  TRP  15          3HE       TRP  15 -18.472 -22.436  -1.006
  133    HZ2  TRP  15          2HZ       TRP  15 -14.674 -25.093   1.021
  134    HZ3  TRP  15          3HZ       TRP  15 -17.470 -24.400  -2.169
  135    HH2  TRP  15           HH       TRP  15 -15.635 -25.712  -1.227
  136    H    ASP  16           H        ASP  16 -20.154 -17.921   0.565
  137    HA   ASP  16           HA       ASP  16 -21.649 -18.212  -1.759
  138   1HB   ASP  16          1HB       ASP  16 -22.267 -20.226   0.012
  139   2HB   ASP  16          2HB       ASP  16 -23.389 -18.989   0.546
  140    H    ASP  17           H        ASP  17 -24.142 -17.196  -0.945
  141    HA   ASP  17           HA       ASP  17 -23.504 -14.590  -0.294
  142   1HB   ASP  17          1HB       ASP  17 -25.819 -16.107  -1.032
  143   2HB   ASP  17          2HB       ASP  17 -26.252 -15.235   0.426
  144    H    GLU  18           H        GLU  18 -24.211 -17.471   1.629
  145    HA   GLU  18           HA       GLU  18 -25.168 -16.279   3.925
  146   1HB   GLU  18          1HB       GLU  18 -24.704 -18.375   5.005
  147   2HB   GLU  18          2HB       GLU  18 -25.144 -18.753   3.350
  148   1HG   GLU  18          1HG       GLU  18 -22.623 -18.736   2.805
  149   2HG   GLU  18          2HG       GLU  18 -22.333 -18.658   4.531
  150    H    THR  19           H        THR  19 -21.821 -16.857   2.742
  151    HA   THR  19           HA       THR  19 -20.403 -16.309   5.035
  152    HB   THR  19           HB       THR  19 -19.841 -15.682   2.091
  153    HG1  THR  19          1HG       THR  19 -18.992 -17.811   2.241
  154   1HG2  THR  19          2HG2      THR  19 -18.319 -14.603   4.028
  155   2HG2  THR  19          3HG2      THR  19 -17.712 -16.271   4.157
  156   3HG2  THR  19          1HG2      THR  19 -17.569 -15.389   2.618
  157    H    ASP  20           H        ASP  20 -20.985 -14.732   6.440
  158    HA   ASP  20           HA       ASP  20 -22.109 -12.358   5.798
  159   1HB   ASP  20          1HB       ASP  20 -21.365 -13.567   8.109
  160   2HB   ASP  20          2HB       ASP  20 -20.071 -12.389   8.015
  161    H    MET  21           H        MET  21 -21.166 -11.168   4.065
  162    HA   MET  21           HA       MET  21 -18.476 -10.944   3.595
  163   1HB   MET  21          1HB       MET  21 -20.788  -9.017   2.996
  164   2HB   MET  21          2HB       MET  21 -19.203  -8.873   2.262
  165   1HG   MET  21          1HG       MET  21 -19.595 -11.419   1.586
  166   2HG   MET  21          2HG       MET  21 -21.283 -11.040   1.862
  167   1HE   MET  21          1HE       MET  21 -18.510 -11.255  -0.115
  168   2HE   MET  21          2HE       MET  21 -19.547 -11.382  -1.556
  169   3HE   MET  21          3HE       MET  21 -18.463  -9.985  -1.360
  170    H    ALA  22           H        ALA  22 -20.607  -9.109   5.791
  171    HA   ALA  22           HA       ALA  22 -18.915  -6.922   6.215
  172   1HB   ALA  22          1HB       ALA  22 -21.359  -7.147   6.819
  173   2HB   ALA  22          2HB       ALA  22 -20.865  -8.191   8.173
  174   3HB   ALA  22          3HB       ALA  22 -20.334  -6.493   8.120
  175    H    LYS  23           H        LYS  23 -19.068 -10.221   7.613
  176    HA   LYS  23           HA       LYS  23 -17.117  -9.615   9.616
  177   1HB   LYS  23          1HB       LYS  23 -19.065 -11.449   9.472
  178   2HB   LYS  23          2HB       LYS  23 -17.757 -12.423   8.832
  179   1HG   LYS  23          1HG       LYS  23 -17.015 -12.759  10.946
  180   2HG   LYS  23          2HG       LYS  23 -16.645 -11.050  11.063
  181   1HD   LYS  23          1HD       LYS  23 -19.244 -10.808  11.577
  182   2HD   LYS  23          2HD       LYS  23 -19.139 -12.512  11.969
  183   1HE   LYS  23          1HE       LYS  23 -18.078 -12.094  13.942
  184   2HE   LYS  23          2HE       LYS  23 -16.916 -11.025  13.180
  185   1HZ   LYS  23          1HZ       LYS  23 -19.120  -9.551  13.109
  186   2HZ   LYS  23          2HZ       LYS  23 -19.377 -10.382  14.491
  187   3HZ   LYS  23          3HZ       LYS  23 -18.023  -9.486  14.318
  188    H    LEU  24           H        LEU  24 -17.181 -11.444   6.487
  189    HA   LEU  24           HA       LEU  24 -14.504 -12.182   6.534
  190   1HB   LEU  24          1HB       LEU  24 -16.695 -12.548   4.894
  191   2HB   LEU  24          2HB       LEU  24 -15.602 -11.622   3.885
  192    HG   LEU  24           HG       LEU  24 -14.982 -14.259   5.242
  193   1HD1  LEU  24          2HD1      LEU  24 -16.377 -13.737   2.873
  194   2HD1  LEU  24          3HD1      LEU  24 -14.739 -14.208   2.358
  195   3HD1  LEU  24          1HD1      LEU  24 -15.687 -15.289   3.406
  196   1HD2  LEU  24          1HD2      LEU  24 -13.219 -12.199   4.225
  197   2HD2  LEU  24          2HD2      LEU  24 -12.837 -13.707   5.090
  198   3HD2  LEU  24          3HD2      LEU  24 -13.023 -13.719   3.320
  199    H    GLU  25           H        GLU  25 -16.134  -9.147   5.580
  200    HA   GLU  25           HA       GLU  25 -13.809  -8.083   4.380
  201   1HB   GLU  25          1HB       GLU  25 -16.222  -7.409   3.895
  202   2HB   GLU  25          2HB       GLU  25 -16.235  -6.568   5.433
  203   1HG   GLU  25          1HG       GLU  25 -13.847  -5.726   4.128
  204   2HG   GLU  25          2HG       GLU  25 -15.083  -5.722   2.886
  205    H    GLU  26           H        GLU  26 -15.615  -7.187   7.418
  206    HA   GLU  26           HA       GLU  26 -13.725  -5.483   8.387
  207   1HB   GLU  26          1HB       GLU  26 -15.717  -7.283   9.818
  208   2HB   GLU  26          2HB       GLU  26 -14.740  -6.109  10.676
  209   1HG   GLU  26          1HG       GLU  26 -16.336  -5.233   8.252
  210   2HG   GLU  26          2HG       GLU  26 -17.148  -5.436   9.792
  211    H    CYS  27           H        CYS  27 -14.094  -9.035   9.039
  212    HA   CYS  27           HA       CYS  27 -12.135  -9.427  10.825
  213   1HB   CYS  27          1HB       CYS  27 -13.533 -11.243  10.072
  214   2HB   CYS  27          2HB       CYS  27 -12.873 -11.162   8.451
  215    HG   CYS  27           HG       CYS  27 -10.473 -11.855   8.986
  216    H    VAL  28           H        VAL  28 -11.750  -9.369   7.204
  217    HA   VAL  28           HA       VAL  28  -9.030  -9.715   7.109
  218    HB   VAL  28           HB       VAL  28 -10.997  -8.250   5.366
  219   1HG1  VAL  28          1HG1      VAL  28  -8.718  -7.210   5.156
  220   2HG1  VAL  28          2HG1      VAL  28  -8.104  -8.797   4.635
  221   3HG1  VAL  28          3HG1      VAL  28  -9.332  -7.954   3.661
  222   1HG2  VAL  28          3HG2      VAL  28 -11.016 -10.780   5.614
  223   2HG2  VAL  28          1HG2      VAL  28 -10.864 -10.158   3.954
  224   3HG2  VAL  28          2HG2      VAL  28  -9.430 -10.782   4.805
  225    H    ARG  29           H        ARG  29 -10.964  -6.759   7.752
  226    HA   ARG  29           HA       ARG  29  -8.752  -5.051   7.617
  227   1HB   ARG  29          1HB       ARG  29 -11.616  -4.886   8.331
  228   2HB   ARG  29          2HB       ARG  29 -10.633  -3.817   9.313
  229   1HG   ARG  29          1HG       ARG  29  -9.579  -2.917   7.188
  230   2HG   ARG  29          2HG       ARG  29 -10.685  -3.912   6.259
  231   1HD   ARG  29          1HD       ARG  29 -12.619  -2.748   7.447
  232   2HD   ARG  29          2HD       ARG  29 -11.454  -1.675   8.194
  233    HE   ARG  29           HE       ARG  29 -11.165  -1.797   5.287
  234   1HH1  ARG  29          2HH2      ARG  29 -12.907  -0.259   7.929
  235   2HH1  ARG  29          1HH2      ARG  29 -13.306   1.156   7.012
  236   1HH2  ARG  29          2HH1      ARG  29 -11.690   0.069   4.078
  237   2HH2  ARG  29          1HH1      ARG  29 -12.609   1.344   4.807
  238    H    SER  30           H        SER  30 -10.677  -6.389  10.407
  239    HA   SER  30           HA       SER  30  -9.310  -5.314  12.444
  240   1HB   SER  30          1HB       SER  30  -9.906  -7.455  13.713
  241   2HB   SER  30          2HB       SER  30 -11.238  -6.642  12.915
  242    HG   SER  30           HG       SER  30  -9.828  -9.008  12.042
  243    H    ILE  31           H        ILE  31  -8.397  -8.161  10.437
  244    HA   ILE  31           HA       ILE  31  -6.314  -9.142  11.915
  245    HB   ILE  31           HB       ILE  31  -6.860  -8.997   8.968
  246   1HG1  ILE  31          1HG1      ILE  31  -6.809 -11.335  10.896
  247   2HG1  ILE  31          2HG1      ILE  31  -8.251 -10.433  10.477
  248   1HG2  ILE  31          3HG2      ILE  31  -4.318  -9.678  10.274
  249   2HG2  ILE  31          1HG2      ILE  31  -4.940 -10.936   9.181
  250   3HG2  ILE  31          2HG2      ILE  31  -4.674  -9.283   8.576
  251   1HD1  ILE  31          1HD1      ILE  31  -7.763 -10.961   8.022
  252   2HD1  ILE  31          2HD1      ILE  31  -6.490 -12.063   8.600
  253   3HD1  ILE  31          3HD1      ILE  31  -8.190 -12.365   9.031
  254    H    GLN  32           H        GLN  32  -4.292  -8.475  12.474
  255    HA   GLN  32           HA       GLN  32  -3.223  -6.222  10.984
  256   1HB   GLN  32          1HB       GLN  32  -4.347  -5.901  13.498
  257   2HB   GLN  32          2HB       GLN  32  -2.658  -6.149  13.896
  258   1HG   GLN  32          1HG       GLN  32  -1.988  -4.328  12.361
  259   2HG   GLN  32          2HG       GLN  32  -3.646  -4.125  11.832
  260   1HE2  GLN  32          2HE2      GLN  32  -4.489  -1.882  14.310
  261   2HE2  GLN  32          1HE2      GLN  32  -4.743  -2.575  12.743
  262    H    ALA  33           H        ALA  33  -0.787  -5.884  11.616
  263    HA   ALA  33           HA       ALA  33   0.622  -7.989  12.810
  264   1HB   ALA  33          2HB       ALA  33  -0.285  -8.555  10.166
  265   2HB   ALA  33          3HB       ALA  33   1.465  -8.250  10.067
  266   3HB   ALA  33          1HB       ALA  33   0.842  -9.502  11.165
  267    H    ASP  34           H        ASP  34   3.054  -7.711  12.376
  268    HA   ASP  34           HA       ASP  34   3.618  -4.991  12.612
  269   1HB   ASP  34          1HB       ASP  34   4.922  -6.979  13.575
  270   2HB   ASP  34          2HB       ASP  34   5.571  -7.247  11.970
  271    H    GLY  35           H        GLY  35   4.543  -3.531  11.065
  272   1HA   GLY  35          1HA       GLY  35   5.040  -2.687   9.044
  273   2HA   GLY  35          2HA       GLY  35   5.745  -4.243   8.656
  274    H    LEU  36           H        LEU  36   2.408  -4.425   9.620
  275    HA   LEU  36           HA       LEU  36   1.685  -4.842   6.816
  276   1HB   LEU  36          1HB       LEU  36   1.458  -6.666   8.568
  277   2HB   LEU  36          2HB       LEU  36   0.163  -5.713   9.268
  278    HG   LEU  36           HG       LEU  36  -0.343  -5.995   6.458
  279   1HD1  LEU  36          2HD1      LEU  36   1.179  -8.135   7.267
  280   2HD1  LEU  36          3HD1      LEU  36  -0.481  -8.731   7.510
  281   3HD1  LEU  36          1HD1      LEU  36   0.024  -8.132   5.912
  282   1HD2  LEU  36          3HD2      LEU  36  -1.832  -5.734   8.644
  283   2HD2  LEU  36          1HD2      LEU  36  -2.456  -6.481   7.153
  284   3HD2  LEU  36          2HD2      LEU  36  -1.906  -7.507   8.500
  285    H    VAL  37           H        VAL  37   0.253  -3.519   5.787
  286    HA   VAL  37           HA       VAL  37  -1.240  -1.644   7.478
  287    HB   VAL  37           HB       VAL  37   0.556  -1.096   5.135
  288   1HG1  VAL  37          2HG1      VAL  37  -1.675  -0.185   4.555
  289   2HG1  VAL  37          3HG1      VAL  37  -1.677   0.735   6.078
  290   3HG1  VAL  37          1HG1      VAL  37  -0.464   1.092   4.825
  291   1HG2  VAL  37          3HG2      VAL  37   0.275  -0.155   7.965
  292   2HG2  VAL  37          1HG2      VAL  37   1.733  -0.603   7.047
  293   3HG2  VAL  37          2HG2      VAL  37   0.944   0.966   6.753
  294    H    TRP  38           H        TRP  38  -3.393  -1.669   7.062
  295    HA   TRP  38           HA       TRP  38  -4.270  -3.238   4.779
  296   1HB   TRP  38          1HB       TRP  38  -5.452  -2.353   7.362
  297   2HB   TRP  38          2HB       TRP  38  -6.546  -2.597   6.016
  298    HD1  TRP  38           HD       TRP  38  -5.261  -4.513   8.803
  299    HE1  TRP  38          1HE       TRP  38  -5.347  -7.131   8.482
  300    HE3  TRP  38          3HE       TRP  38  -5.969  -4.400   3.769
  301    HZ2  TRP  38          2HZ       TRP  38  -5.694  -8.823   6.210
  302    HZ3  TRP  38          3HZ       TRP  38  -6.172  -6.580   2.575
  303    HH2  TRP  38           HH       TRP  38  -6.046  -8.738   3.715
  304    H    GLY  39           H        GLY  39  -4.964  -2.289   2.903
  305   1HA   GLY  39          1HA       GLY  39  -5.147   0.632   2.849
  306   2HA   GLY  39          2HA       GLY  39  -4.993  -0.450   1.479
  307    H    SER  40           H        SER  40  -6.791   0.206   0.273
  308    HA   SER  40           HA       SER  40  -9.338   0.069   1.671
  309   1HB   SER  40          1HB       SER  40  -8.241   1.783  -0.446
  310   2HB   SER  40          2HB       SER  40  -9.782   1.095  -0.919
  311    HG   SER  40           HG       SER  40 -10.212   3.025   0.191
  312    H    SER  41           H        SER  41 -10.745  -1.600   1.213
  313    HA   SER  41           HA       SER  41  -9.860  -3.520  -0.714
  314   1HB   SER  41          1HB       SER  41 -11.764  -4.881   0.168
  315   2HB   SER  41          2HB       SER  41 -10.683  -4.329   1.433
  316    HG   SER  41           HG       SER  41 -12.682  -3.842   2.239
  317    H    LYS  42           H        LYS  42 -11.707  -4.567  -2.151
  318    HA   LYS  42           HA       LYS  42 -13.484  -2.460  -3.138
  319   1HB   LYS  42          1HB       LYS  42 -11.988  -4.243  -5.051
  320   2HB   LYS  42          2HB       LYS  42 -12.839  -2.745  -5.374
  321   1HG   LYS  42          1HG       LYS  42 -11.106  -1.604  -3.812
  322   2HG   LYS  42          2HG       LYS  42 -10.192  -3.096  -3.907
  323   1HD   LYS  42          1HD       LYS  42  -9.326  -1.622  -5.623
  324   2HD   LYS  42          2HD       LYS  42 -10.220  -2.891  -6.437
  325   1HE   LYS  42          1HE       LYS  42 -11.362  -1.229  -7.494
  326   2HE   LYS  42          2HE       LYS  42 -12.197  -0.972  -5.975
  327   1HZ   LYS  42          3HZ       LYS  42  -9.681   0.280  -5.945
  328   2HZ   LYS  42          1HZ       LYS  42 -10.540   0.781  -7.240
  329   3HZ   LYS  42          2HZ       LYS  42 -11.161   0.941  -5.738
  330    H    LEU  43           H        LEU  43 -15.336  -3.333  -4.397
  331    HA   LEU  43           HA       LEU  43 -15.881  -6.118  -3.638
  332   1HB   LEU  43          1HB       LEU  43 -17.402  -3.643  -3.133
  333   2HB   LEU  43          2HB       LEU  43 -18.348  -4.979  -3.758
  334    HG   LEU  43           HG       LEU  43 -18.504  -5.080  -1.402
  335   1HD1  LEU  43          1HD1      LEU  43 -17.963  -7.228  -2.717
  336   2HD1  LEU  43          2HD1      LEU  43 -16.368  -7.136  -1.932
  337   3HD1  LEU  43          3HD1      LEU  43 -17.842  -7.267  -0.941
  338   1HD2  LEU  43          3HD2      LEU  43 -15.490  -4.808  -1.327
  339   2HD2  LEU  43          1HD2      LEU  43 -16.702  -3.640  -0.747
  340   3HD2  LEU  43          2HD2      LEU  43 -16.503  -5.203   0.080
  341    H    VAL  44           H        VAL  44 -17.163  -7.348  -5.141
  342    HA   VAL  44           HA       VAL  44 -17.862  -6.112  -7.640
  343    HB   VAL  44           HB       VAL  44 -15.598  -8.100  -7.424
  344   1HG1  VAL  44          2HG1      VAL  44 -17.387  -7.406  -9.740
  345   2HG1  VAL  44          3HG1      VAL  44 -15.676  -7.804 -10.030
  346   3HG1  VAL  44          1HG1      VAL  44 -16.743  -8.987  -9.234
  347   1HG2  VAL  44          3HG2      VAL  44 -15.834  -5.248  -8.391
  348   2HG2  VAL  44          1HG2      VAL  44 -14.710  -5.938  -7.197
  349   3HG2  VAL  44          2HG2      VAL  44 -14.509  -6.309  -8.926
  350    HA   PRO  45           HA       PRO  45 -20.744  -9.305  -6.827
  351   1HB   PRO  45          1HB       PRO  45 -22.660  -8.480  -8.591
  352   2HB   PRO  45          2HB       PRO  45 -22.535  -7.864  -6.956
  353   1HG   PRO  45          1HG       PRO  45 -21.779  -6.550  -9.494
  354   2HG   PRO  45          2HG       PRO  45 -22.062  -5.825  -7.924
  355   1HD   PRO  45          1HD       PRO  45 -19.517  -6.321  -9.151
  356   2HD   PRO  45          2HD       PRO  45 -19.799  -5.703  -7.535
  357    H    VAL  46           H        VAL  46 -21.163 -11.342  -7.570
  358    HA   VAL  46           HA       VAL  46 -20.605 -11.725 -10.407
  359    HB   VAL  46           HB       VAL  46 -18.541 -12.088  -8.957
  360   1HG1  VAL  46          2HG1      VAL  46 -19.829 -13.256  -7.121
  361   2HG1  VAL  46          3HG1      VAL  46 -19.952 -14.665  -8.203
  362   3HG1  VAL  46          1HG1      VAL  46 -18.354 -14.091  -7.667
  363   1HG2  VAL  46          1HG2      VAL  46 -19.333 -13.213 -11.291
  364   2HG2  VAL  46          2HG2      VAL  46 -17.753 -13.520 -10.529
  365   3HG2  VAL  46          3HG2      VAL  46 -19.090 -14.675 -10.306
  366    H    GLY  47           H        GLY  47 -21.045 -14.311 -10.790
  367   1HA   GLY  47          1HA       GLY  47 -22.837 -15.672 -11.100
  368   2HA   GLY  47          2HA       GLY  47 -22.690 -15.858  -9.363
  369    H    TYR  48           H        TYR  48 -24.607 -15.614  -8.311
  370    HA   TYR  48           HA       TYR  48 -26.276 -13.343  -9.038
  371   1HB   TYR  48          1HB       TYR  48 -28.242 -14.892  -9.179
  372   2HB   TYR  48          2HB       TYR  48 -27.032 -15.387 -10.345
  373    HD1  TYR  48          1HD       TYR  48 -25.394 -17.275  -9.624
  374    HD2  TYR  48          2HD       TYR  48 -29.073 -16.430  -7.611
  375    HE1  TYR  48          1HE       TYR  48 -25.388 -19.610  -8.616
  376    HE2  TYR  48          2HE       TYR  48 -29.055 -18.766  -6.610
  377    HH   TYR  48           HH       TYR  48 -26.281 -20.879  -7.017
  378    H    GLY  49           H        GLY  49 -26.190 -12.273  -7.100
  379   1HA   GLY  49          1HA       GLY  49 -27.128 -11.970  -4.991
  380   2HA   GLY  49          2HA       GLY  49 -27.245 -13.705  -4.772
  381    H    ILE  50           H        ILE  50 -24.393 -14.062  -5.863
  382    HA   ILE  50           HA       ILE  50 -23.108 -13.609  -3.309
  383    HB   ILE  50           HB       ILE  50 -22.476 -15.221  -5.762
  384   1HG1  ILE  50          1HG1      ILE  50 -22.270 -16.936  -3.741
  385   2HG1  ILE  50          2HG1      ILE  50 -23.298 -15.767  -2.936
  386   1HG2  ILE  50          2HG2      ILE  50 -20.378 -14.163  -5.077
  387   2HG2  ILE  50          3HG2      ILE  50 -20.619 -14.750  -3.414
  388   3HG2  ILE  50          1HG2      ILE  50 -20.369 -15.911  -4.741
  389   1HD1  ILE  50          1HD1      ILE  50 -24.355 -16.119  -5.581
  390   2HD1  ILE  50          2HD1      ILE  50 -24.033 -17.736  -4.910
  391   3HD1  ILE  50          3HD1      ILE  50 -25.089 -16.603  -4.034
  392    H    LYS  51           H        LYS  51 -20.818 -12.745  -3.284
  393    HA   LYS  51           HA       LYS  51 -20.336 -10.840  -5.440
  394   1HB   LYS  51          1HB       LYS  51 -20.780 -10.143  -2.539
  395   2HB   LYS  51          2HB       LYS  51 -19.766  -9.145  -3.561
  396   1HG   LYS  51          1HG       LYS  51 -21.616  -8.153  -4.411
  397   2HG   LYS  51          2HG       LYS  51 -22.122  -9.689  -5.084
  398   1HD   LYS  51          1HD       LYS  51 -23.944  -9.329  -3.711
  399   2HD   LYS  51          2HD       LYS  51 -22.912 -10.125  -2.539
  400   1HE   LYS  51          1HE       LYS  51 -22.015  -7.696  -2.026
  401   2HE   LYS  51          2HE       LYS  51 -23.464  -7.154  -2.850
  402   1HZ   LYS  51          1HZ       LYS  51 -24.577  -8.851  -1.271
  403   2HZ   LYS  51          2HZ       LYS  51 -23.234  -8.637  -0.366
  404   3HZ   LYS  51          3HZ       LYS  51 -24.188  -7.361  -0.726
  405    H    LYS  52           H        LYS  52 -18.057  -9.859  -5.176
  406    HA   LYS  52           HA       LYS  52 -16.311 -12.070  -4.449
  407   1HB   LYS  52          1HB       LYS  52 -15.920 -11.311  -6.642
  408   2HB   LYS  52          2HB       LYS  52 -16.021  -9.622  -6.185
  409   1HG   LYS  52          1HG       LYS  52 -13.823  -9.539  -5.576
  410   2HG   LYS  52          2HG       LYS  52 -13.929 -11.032  -4.665
  411   1HD   LYS  52          1HD       LYS  52 -12.384 -11.440  -6.474
  412   2HD   LYS  52          2HD       LYS  52 -13.856 -12.305  -6.870
  413   1HE   LYS  52          1HE       LYS  52 -14.245  -9.721  -7.963
  414   2HE   LYS  52          2HE       LYS  52 -12.565 -10.090  -8.303
  415   1HZ   LYS  52          2HZ       LYS  52 -13.584 -12.356  -8.998
  416   2HZ   LYS  52          3HZ       LYS  52 -14.948 -11.479  -9.196
  417   3HZ   LYS  52          1HZ       LYS  52 -13.599 -11.091 -10.031
  418    H    LEU  53           H        LEU  53 -14.668 -11.929  -2.901
  419    HA   LEU  53           HA       LEU  53 -14.965  -9.636  -1.104
  420   1HB   LEU  53          1HB       LEU  53 -15.029 -12.380  -0.650
  421   2HB   LEU  53          2HB       LEU  53 -13.434 -11.898  -0.105
  422    HG   LEU  53           HG       LEU  53 -15.304 -11.921   1.621
  423   1HD1  LEU  53          2HD1      LEU  53 -13.477  -9.571   1.161
  424   2HD1  LEU  53          3HD1      LEU  53 -14.530  -9.661   2.594
  425   3HD1  LEU  53          1HD1      LEU  53 -13.312 -10.926   2.304
  426   1HD2  LEU  53          3HD2      LEU  53 -16.669 -10.415  -0.236
  427   2HD2  LEU  53          1HD2      LEU  53 -17.098 -10.599   1.482
  428   3HD2  LEU  53          2HD2      LEU  53 -16.140  -9.196   0.949
  429    H    GLN  54           H        GLN  54 -13.675  -8.406  -2.787
  430    HA   GLN  54           HA       GLN  54 -10.891  -9.174  -2.801
  431   1HB   GLN  54          1HB       GLN  54 -11.718  -8.566  -4.964
  432   2HB   GLN  54          2HB       GLN  54 -12.524  -7.136  -4.350
  433   1HG   GLN  54          1HG       GLN  54 -10.630  -5.867  -4.481
  434   2HG   GLN  54          2HG       GLN  54  -9.635  -7.114  -3.758
  435   1HE2  GLN  54          2HE2      GLN  54  -9.981  -6.667  -7.829
  436   2HE2  GLN  54          1HE2      GLN  54 -10.977  -5.816  -6.697
  437    H    ILE  55           H        ILE  55  -9.218  -7.924  -1.874
  438    HA   ILE  55           HA       ILE  55  -9.977  -5.446  -0.564
  439    HB   ILE  55           HB       ILE  55  -9.412  -6.060   1.584
  440   1HG1  ILE  55          1HG1      ILE  55  -7.325  -7.373   0.645
  441   2HG1  ILE  55          2HG1      ILE  55  -7.943  -7.672   2.257
  442   1HG2  ILE  55          3HG2      ILE  55 -11.565  -7.025   0.850
  443   2HG2  ILE  55          1HG2      ILE  55 -10.730  -8.550   0.469
  444   3HG2  ILE  55          2HG2      ILE  55 -10.793  -7.965   2.149
  445   1HD1  ILE  55          3HD1      ILE  55  -8.784  -9.280  -0.197
  446   2HD1  ILE  55          1HD1      ILE  55  -7.500  -9.775   0.931
  447   3HD1  ILE  55          2HD1      ILE  55  -9.180  -9.637   1.501
  448    H    GLN  56           H        GLN  56  -7.926  -4.353   0.353
  449    HA   GLN  56           HA       GLN  56  -5.646  -5.147  -1.274
  450   1HB   GLN  56          1HB       GLN  56  -6.846  -3.198  -2.306
  451   2HB   GLN  56          2HB       GLN  56  -6.596  -2.283  -0.833
  452   1HG   GLN  56          1HG       GLN  56  -4.189  -2.309  -1.110
  453   2HG   GLN  56          2HG       GLN  56  -4.276  -3.519  -2.374
  454   1HE2  GLN  56          2HE2      GLN  56  -5.279   0.435  -3.111
  455   2HE2  GLN  56          1HE2      GLN  56  -5.324  -0.243  -1.517
  456    H    CYS  57           H        CYS  57  -3.564  -4.763  -0.325
  457    HA   CYS  57           HA       CYS  57  -3.640  -3.719   2.398
  458   1HB   CYS  57          1HB       CYS  57  -1.896  -5.619   2.889
  459   2HB   CYS  57          2HB       CYS  57  -3.615  -5.940   3.004
  460    HG   CYS  57           HG       CYS  57  -1.908  -6.248   0.193
  461    H    VAL  58           H        VAL  58  -1.320  -3.172   3.135
  462    HA   VAL  58           HA       VAL  58   0.352  -2.546   0.803
  463    HB   VAL  58           HB       VAL  58  -0.200  -0.804   3.214
  464   1HG1  VAL  58          2HG1      VAL  58   2.144  -0.770   2.108
  465   2HG1  VAL  58          3HG1      VAL  58   1.323   0.030   0.747
  466   3HG1  VAL  58          1HG1      VAL  58   1.299   0.776   2.362
  467   1HG2  VAL  58          3HG2      VAL  58  -1.226  -0.773   0.380
  468   2HG2  VAL  58          1HG2      VAL  58  -2.118  -0.586   1.909
  469   3HG2  VAL  58          2HG2      VAL  58  -1.089   0.738   1.312
  470    H    VAL  59           H        VAL  59   1.553  -4.501   1.211
  471    HA   VAL  59           HA       VAL  59   2.781  -4.774   3.810
  472    HB   VAL  59           HB       VAL  59   3.511  -6.866   3.050
  473   1HG1  VAL  59          3HG1      VAL  59   0.907  -6.315   3.142
  474   2HG1  VAL  59          1HG1      VAL  59   1.005  -6.761   1.422
  475   3HG1  VAL  59          2HG1      VAL  59   1.512  -7.922   2.672
  476   1HG2  VAL  59          1HG2      VAL  59   3.016  -5.863   0.230
  477   2HG2  VAL  59          2HG2      VAL  59   4.576  -6.284   0.976
  478   3HG2  VAL  59          3HG2      VAL  59   3.378  -7.557   0.640
  479    H    GLU  60           H        GLU  60   5.299  -5.432   3.613
  480    HA   GLU  60           HA       GLU  60   6.498  -3.035   2.617
  481   1HB   GLU  60          1HB       GLU  60   7.033  -4.912   4.704
  482   2HB   GLU  60          2HB       GLU  60   8.419  -4.960   3.631
  483   1HG   GLU  60          1HG       GLU  60   7.338  -2.241   4.330
  484   2HG   GLU  60          2HG       GLU  60   8.160  -3.116   5.606
  485    H    ASP  61           H        ASP  61   9.052  -3.776   1.827
  486    HA   ASP  61           HA       ASP  61   8.514  -4.697  -0.777
  487   1HB   ASP  61          1HB       ASP  61  10.456  -3.140   0.370
  488   2HB   ASP  61          2HB       ASP  61  11.331  -4.653   0.246
  489    H    ASP  62           H        ASP  62  10.769  -5.871   1.849
  490    HA   ASP  62           HA       ASP  62  10.163  -8.575   0.959
  491   1HB   ASP  62          1HB       ASP  62  12.549  -7.435   0.401
  492   2HB   ASP  62          2HB       ASP  62  12.898  -7.922   2.047
  493    H    LYS  63           H        LYS  63   9.408  -6.567   3.250
  494    HA   LYS  63           HA       LYS  63  10.563  -7.841   5.569
  495   1HB   LYS  63          1HB       LYS  63   9.757  -5.291   5.060
  496   2HB   LYS  63          2HB       LYS  63   8.337  -5.910   5.878
  497   1HG   LYS  63          1HG       LYS  63   9.700  -6.641   7.800
  498   2HG   LYS  63          2HG       LYS  63  11.176  -6.192   6.968
  499   1HD   LYS  63          1HD       LYS  63  10.989  -4.127   7.882
  500   2HD   LYS  63          2HD       LYS  63   9.584  -3.857   6.870
  501   1HE   LYS  63          1HE       LYS  63   8.068  -4.348   8.586
  502   2HE   LYS  63          2HE       LYS  63   9.174  -5.433   9.405
  503   1HZ   LYS  63          3HZ       LYS  63  10.268  -2.868   9.365
  504   2HZ   LYS  63          1HZ       LYS  63   8.742  -2.770   9.937
  505   3HZ   LYS  63          2HZ       LYS  63   9.821  -3.762  10.657
  506    H    VAL  64           H        VAL  64   7.184  -7.247   4.355
  507    HA   VAL  64           HA       VAL  64   6.527  -9.932   5.314
  508    HB   VAL  64           HB       VAL  64   5.936  -8.141   6.990
  509   1HG1  VAL  64          1HG1      VAL  64   4.740  -6.957   4.657
  510   2HG1  VAL  64          2HG1      VAL  64   3.476  -7.279   5.868
  511   3HG1  VAL  64          3HG1      VAL  64   4.894  -6.294   6.302
  512   1HG2  VAL  64          2HG2      VAL  64   4.671 -10.462   6.335
  513   2HG2  VAL  64          3HG2      VAL  64   4.234  -9.437   7.723
  514   3HG2  VAL  64          1HG2      VAL  64   3.330  -9.300   6.197
  515    H    GLY  65           H        GLY  65   4.876 -10.984   4.103
  516   1HA   GLY  65          1HA       GLY  65   3.986  -9.523   1.695
  517   2HA   GLY  65          2HA       GLY  65   4.699 -11.120   1.586
  518    H    THR  66           H        THR  66   2.369 -11.288   0.513
  519    HA   THR  66           HA       THR  66   0.188 -11.499   2.351
  520    HB   THR  66           HB       THR  66   0.663 -12.190  -0.588
  521    HG1  THR  66          1HG       THR  66  -1.028 -10.315   0.908
  522   1HG2  THR  66          2HG2      THR  66  -1.792 -12.568   1.179
  523   2HG2  THR  66          3HG2      THR  66  -1.962 -12.182  -0.552
  524   3HG2  THR  66          1HG2      THR  66  -1.136 -13.677  -0.049
  525    H    ASP  67           H        ASP  67   1.890 -12.907   3.731
  526    HA   ASP  67           HA       ASP  67   1.391 -15.672   2.963
  527   1HB   ASP  67          1HB       ASP  67   3.220 -16.029   4.840
  528   2HB   ASP  67          2HB       ASP  67   3.707 -15.538   3.230
  529    H    MET  68           H        MET  68   1.908 -13.600   5.930
  530    HA   MET  68           HA       MET  68   0.532 -15.330   7.616
  531   1HB   MET  68          1HB       MET  68   2.145 -13.110   7.902
  532   2HB   MET  68          2HB       MET  68   0.586 -12.387   8.244
  533   1HG   MET  68          1HG       MET  68   1.786 -14.814   9.663
  534   2HG   MET  68          2HG       MET  68   1.633 -13.203  10.334
  535   1HE   MET  68          2HE       MET  68  -0.370 -11.922  10.133
  536   2HE   MET  68          3HE       MET  68  -1.979 -12.524   9.671
  537   3HE   MET  68          1HE       MET  68  -1.497 -12.501  11.384
  538    H    LEU  69           H        LEU  69  -0.474 -12.394   5.780
  539    HA   LEU  69           HA       LEU  69  -2.987 -12.103   6.924
  540   1HB   LEU  69          1HB       LEU  69  -1.788 -11.351   4.276
  541   2HB   LEU  69          2HB       LEU  69  -3.478 -11.039   4.617
  542    HG   LEU  69           HG       LEU  69  -1.047  -9.877   5.975
  543   1HD1  LEU  69          2HD1      LEU  69  -2.078  -8.904   3.839
  544   2HD1  LEU  69          3HD1      LEU  69  -3.442  -8.415   4.872
  545   3HD1  LEU  69          1HD1      LEU  69  -1.807  -7.801   5.209
  546   1HD2  LEU  69          1HD2      LEU  69  -3.765 -10.279   7.092
  547   2HD2  LEU  69          2HD2      LEU  69  -2.193 -10.110   7.908
  548   3HD2  LEU  69          3HD2      LEU  69  -3.044  -8.666   7.309
  549    H    GLU  70           H        GLU  70  -1.840 -14.120   4.162
  550    HA   GLU  70           HA       GLU  70  -4.359 -14.981   3.405
  551   1HB   GLU  70          1HB       GLU  70  -2.398 -15.242   1.965
  552   2HB   GLU  70          2HB       GLU  70  -1.625 -16.300   3.130
  553   1HG   GLU  70          1HG       GLU  70  -3.786 -17.790   2.858
  554   2HG   GLU  70          2HG       GLU  70  -4.053 -16.864   1.395
  555    H    GLU  71           H        GLU  71  -1.846 -16.645   5.448
  556    HA   GLU  71           HA       GLU  71  -3.413 -18.810   6.076
  557   1HB   GLU  71          1HB       GLU  71  -0.969 -17.513   7.202
  558   2HB   GLU  71          2HB       GLU  71  -1.817 -18.597   8.287
  559   1HG   GLU  71          1HG       GLU  71  -1.267 -19.494   5.448
  560   2HG   GLU  71          2HG       GLU  71   0.035 -19.533   6.618
  561    H    GLN  72           H        GLN  72  -3.820 -15.522   6.957
  562    HA   GLN  72           HA       GLN  72  -5.196 -16.226   9.406
  563   1HB   GLN  72          1HB       GLN  72  -3.577 -14.294   9.361
  564   2HB   GLN  72          2HB       GLN  72  -4.626 -13.472   8.224
  565   1HG   GLN  72          1HG       GLN  72  -5.387 -12.564  10.238
  566   2HG   GLN  72          2HG       GLN  72  -6.503 -13.901  10.049
  567   1HE2  GLN  72          2HE2      GLN  72  -3.918 -13.676  13.170
  568   2HE2  GLN  72          1HE2      GLN  72  -4.093 -12.462  11.948
  569    H    ILE  73           H        ILE  73  -5.724 -14.551   6.237
  570    HA   ILE  73           HA       ILE  73  -8.509 -14.220   6.711
  571    HB   ILE  73           HB       ILE  73  -6.928 -14.045   4.144
  572   1HG1  ILE  73          1HG1      ILE  73  -7.719 -11.640   5.738
  573   2HG1  ILE  73          2HG1      ILE  73  -6.342 -12.574   6.288
  574   1HG2  ILE  73          3HG2      ILE  73  -9.732 -13.286   4.912
  575   2HG2  ILE  73          1HG2      ILE  73  -8.862 -12.379   3.652
  576   3HG2  ILE  73          2HG2      ILE  73  -9.137 -14.127   3.460
  577   1HD1  ILE  73          2HD1      ILE  73  -5.435 -12.442   3.884
  578   2HD1  ILE  73          3HD1      ILE  73  -6.714 -11.243   3.576
  579   3HD1  ILE  73          1HD1      ILE  73  -5.460 -10.913   4.795
  580    H    THR  74           H        THR  74  -6.532 -16.422   4.608
  581    HA   THR  74           HA       THR  74  -8.833 -17.946   3.869
  582    HB   THR  74           HB       THR  74  -7.242 -19.157   2.544
  583    HG1  THR  74          1HG       THR  74  -5.796 -19.725   4.272
  584   1HG2  THR  74          2HG2      THR  74  -7.201 -16.481   2.270
  585   2HG2  THR  74          3HG2      THR  74  -5.559 -16.673   2.931
  586   3HG2  THR  74          1HG2      THR  74  -6.012 -17.498   1.420
  587    H    ALA  75           H        ALA  75  -7.293 -17.642   6.803
  588    HA   ALA  75           HA       ALA  75  -6.985 -20.327   7.567
  589   1HB   ALA  75          2HB       ALA  75  -6.602 -17.744   8.658
  590   2HB   ALA  75          3HB       ALA  75  -7.733 -18.573   9.755
  591   3HB   ALA  75          1HB       ALA  75  -6.153 -19.305   9.388
  592    H    PHE  76           H        PHE  76  -9.765 -18.484   6.762
  593    HA   PHE  76           HA       PHE  76 -11.459 -20.184   8.439
  594   1HB   PHE  76          1HB       PHE  76 -11.464 -17.411   7.361
  595   2HB   PHE  76          2HB       PHE  76 -12.981 -18.228   7.039
  596    HD1  PHE  76          2HD       PHE  76 -13.518 -19.806   9.367
  597    HD2  PHE  76          1HD       PHE  76 -11.726 -15.966   9.132
  598    HE1  PHE  76          2HE       PHE  76 -14.283 -19.305  11.706
  599    HE2  PHE  76          1HE       PHE  76 -12.491 -15.466  11.470
  600    HZ   PHE  76           HZ       PHE  76 -13.760 -17.141  12.728
  601    H    GLU  77           H        GLU  77 -11.411 -22.108   7.170
  602    HA   GLU  77           HA       GLU  77 -12.027 -21.902   4.394
  603   1HB   GLU  77          1HB       GLU  77 -10.921 -23.881   6.183
  604   2HB   GLU  77          2HB       GLU  77 -12.275 -24.606   5.337
  605   1HG   GLU  77          1HG       GLU  77 -10.656 -22.997   3.500
  606   2HG   GLU  77          2HG       GLU  77  -9.659 -24.178   4.325
  607    H    ASP  78           H        ASP  78 -13.855 -21.626   7.186
  608    HA   ASP  78           HA       ASP  78 -16.096 -23.111   6.137
  609   1HB   ASP  78          1HB       ASP  78 -15.210 -22.745   8.693
  610   2HB   ASP  78          2HB       ASP  78 -16.337 -21.405   8.597
  611    H    TYR  79           H        TYR  79 -14.778 -20.381   5.181
  612    HA   TYR  79           HA       TYR  79 -17.323 -19.039   4.779
  613   1HB   TYR  79          1HB       TYR  79 -14.776 -17.958   6.117
  614   2HB   TYR  79          2HB       TYR  79 -15.937 -16.866   5.389
  615    HD1  TYR  79          1HD       TYR  79 -15.590 -19.501   8.008
  616    HD2  TYR  79          2HD       TYR  79 -17.846 -16.156   6.585
  617    HE1  TYR  79          1HE       TYR  79 -16.937 -19.485  10.163
  618    HE2  TYR  79          2HE       TYR  79 -19.186 -16.150   8.746
  619    HH   TYR  79           HH       TYR  79 -18.236 -17.578  11.458
  620    H    VAL  80           H        VAL  80 -13.751 -19.114   4.209
  621    HA   VAL  80           HA       VAL  80 -14.103 -17.737   1.695
  622    HB   VAL  80           HB       VAL  80 -11.716 -18.873   3.157
  623   1HG1  VAL  80          3HG1      VAL  80 -11.992 -17.842   0.384
  624   2HG1  VAL  80          1HG1      VAL  80 -10.611 -17.225   1.322
  625   3HG1  VAL  80          2HG1      VAL  80 -10.809 -18.977   1.078
  626   1HG2  VAL  80          2HG2      VAL  80 -13.160 -16.376   3.298
  627   2HG2  VAL  80          3HG2      VAL  80 -11.791 -16.948   4.282
  628   3HG2  VAL  80          1HG2      VAL  80 -11.490 -16.087   2.754
  629    H    GLN  81           H        GLN  81 -14.231 -18.678  -0.304
  630    HA   GLN  81           HA       GLN  81 -14.456 -21.535  -0.305
  631   1HB   GLN  81          1HB       GLN  81 -16.073 -19.975  -1.495
  632   2HB   GLN  81          2HB       GLN  81 -14.791 -19.588  -2.627
  633   1HG   GLN  81          1HG       GLN  81 -14.657 -22.300  -2.767
  634   2HG   GLN  81          2HG       GLN  81 -16.341 -22.143  -2.308
  635   1HE2  GLN  81          2HE2      GLN  81 -14.979 -21.116  -6.031
  636   2HE2  GLN  81          1HE2      GLN  81 -13.941 -21.611  -4.734
  637    H    SER  82           H        SER  82 -12.260 -18.968  -1.461
  638    HA   SER  82           HA       SER  82 -10.078 -20.572  -1.552
  639   1HB   SER  82          1HB       SER  82 -11.672 -20.647  -4.092
  640   2HB   SER  82          2HB       SER  82  -9.936 -20.476  -4.264
  641    HG   SER  82           HG       SER  82 -10.262 -22.675  -4.211
  642    H    MET  83           H        MET  83  -8.592 -18.978  -1.150
  643    HA   MET  83           HA       MET  83  -9.112 -16.357  -2.204
  644   1HB   MET  83          1HB       MET  83  -8.409 -16.459   0.116
  645   2HB   MET  83          2HB       MET  83  -7.106 -17.573  -0.246
  646   1HG   MET  83          1HG       MET  83  -7.082 -14.848  -1.562
  647   2HG   MET  83          2HG       MET  83  -6.621 -14.966   0.124
  648   1HE   MET  83          3HE       MET  83  -4.676 -14.176   0.023
  649   2HE   MET  83          1HE       MET  83  -3.303 -15.308   0.071
  650   3HE   MET  83          2HE       MET  83  -3.565 -14.287  -1.364
  651    H    ASP  84           H        ASP  84  -7.517 -15.101  -3.422
  652    HA   ASP  84           HA       ASP  84  -5.304 -16.568  -4.496
  653   1HB   ASP  84          1HB       ASP  84  -7.775 -15.890  -6.057
  654   2HB   ASP  84          2HB       ASP  84  -6.252 -15.561  -6.857
  655    H    VAL  85           H        VAL  85  -4.529 -14.818  -6.539
  656    HA   VAL  85           HA       VAL  85  -4.383 -12.255  -5.114
  657    HB   VAL  85           HB       VAL  85  -2.294 -13.582  -5.436
  658   1HG1  VAL  85          3HG1      VAL  85  -2.822 -14.555  -7.633
  659   2HG1  VAL  85          1HG1      VAL  85  -2.724 -12.939  -8.373
  660   3HG1  VAL  85          2HG1      VAL  85  -1.271 -13.682  -7.662
  661   1HG2  VAL  85          3HG2      VAL  85  -2.710 -10.868  -5.612
  662   2HG2  VAL  85          1HG2      VAL  85  -1.123 -11.661  -5.462
  663   3HG2  VAL  85          2HG2      VAL  85  -1.738 -11.195  -7.066
  664    H    ALA  86           H        ALA  86  -4.903 -10.336  -6.181
  665    HA   ALA  86           HA       ALA  86  -6.339 -10.743  -8.694
  666   1HB   ALA  86          1HB       ALA  86  -7.175  -9.557  -6.440
  667   2HB   ALA  86          2HB       ALA  86  -6.372  -8.154  -7.184
  668   3HB   ALA  86          3HB       ALA  86  -7.686  -8.990  -8.047
  669    H    ALA  87           H        ALA  87  -3.436  -9.357  -7.272
  670    HA   ALA  87           HA       ALA  87  -2.197  -8.952  -9.699
  671   1HB   ALA  87          2HB       ALA  87  -4.137  -6.984  -9.323
  672   2HB   ALA  87          3HB       ALA  87  -2.634  -6.197  -8.784
  673   3HB   ALA  87          1HB       ALA  87  -2.741  -6.884 -10.423
  674    H    PHE  88           H        PHE  88  -0.155  -7.453  -9.352
  675    HA   PHE  88           HA       PHE  88   0.572  -7.270  -6.555
  676   1HB   PHE  88          1HB       PHE  88   1.248  -9.478  -8.300
  677   2HB   PHE  88          2HB       PHE  88   2.710  -8.525  -8.130
  678    HD1  PHE  88          2HD       PHE  88   3.647  -8.122  -5.840
  679    HD2  PHE  88          1HD       PHE  88   0.462 -10.841  -6.526
  680    HE1  PHE  88          2HE       PHE  88   4.095  -9.205  -3.621
  681    HE2  PHE  88          1HE       PHE  88   0.910 -11.925  -4.305
  682    HZ   PHE  88           HZ       PHE  88   2.720 -11.094  -2.879
  683    H    ASN  89           H        ASN  89   0.997  -5.079  -6.612
  684    HA   ASN  89           HA       ASN  89   3.172  -4.330  -8.367
  685   1HB   ASN  89          1HB       ASN  89   1.138  -3.551  -9.538
  686   2HB   ASN  89          2HB       ASN  89   0.529  -2.811  -8.071
  687   1HD2  ASN  89          2HD2      ASN  89   1.909   0.249  -8.860
  688   2HD2  ASN  89          1HD2      ASN  89   0.596  -0.710  -8.263
  689    H    LYS  90           H        LYS  90   4.074  -2.080  -7.601
  690    HA   LYS  90           HA       LYS  90   4.177  -2.138  -4.720
  691   1HB   LYS  90          1HB       LYS  90   5.836  -0.175  -5.268
  692   2HB   LYS  90          2HB       LYS  90   6.293  -1.843  -5.542
  693   1HG   LYS  90          1HG       LYS  90   6.001  -1.684  -7.890
  694   2HG   LYS  90          2HG       LYS  90   4.932  -0.301  -7.765
  695   1HD   LYS  90          1HD       LYS  90   6.686   1.220  -7.487
  696   2HD   LYS  90          2HD       LYS  90   7.739   0.041  -6.732
  697   1HE   LYS  90          1HE       LYS  90   8.655  -0.579  -8.729
  698   2HE   LYS  90          2HE       LYS  90   7.086  -0.725  -9.496
  699   1HZ   LYS  90          3HZ       LYS  90   7.080   1.728  -9.636
  700   2HZ   LYS  90          1HZ       LYS  90   8.627   1.742  -9.112
  701   3HZ   LYS  90          2HZ       LYS  90   8.251   1.020 -10.527
  702    H    ILE  91           H        ILE  91   3.625  -0.454  -3.357
  703    HA   ILE  91           HA       ILE  91   2.194   1.865  -4.445
  704    HB   ILE  91           HB       ILE  91   0.861  -0.245  -2.705
  705   1HG1  ILE  91          1HG1      ILE  91   0.455   0.812  -5.521
  706   2HG1  ILE  91          2HG1      ILE  91   0.666  -0.873  -4.989
  707   1HG2  ILE  91          1HG2      ILE  91   0.574   2.495  -2.461
  708   2HG2  ILE  91          2HG2      ILE  91  -0.701   2.087  -3.634
  709   3HG2  ILE  91          3HG2      ILE  91  -0.673   1.297  -2.040
  710   1HD1  ILE  91          3HD1      ILE  91  -1.536  -0.200  -3.543
  711   2HD1  ILE  91          1HD1      ILE  91  -1.769   0.849  -4.962
  712   3HD1  ILE  91          2HD1      ILE  91  -1.619  -0.912  -5.172
   
  No H/Q in entry =         712
  Start of MODEL    4
    1   1H    MET   1          3HN       MET   1  13.168  -4.692   8.756
    2   2H    MET   1           H        MET   1  14.680  -5.027   9.344
    3   3H    MET   1          2HN       MET   1  13.453  -4.637  10.386
    4    HA   MET   1           HA       MET   1  13.365  -2.454   9.714
    5   1HB   MET   1          1HB       MET   1  16.172  -3.544  10.076
    6   2HB   MET   1          2HB       MET   1  15.836  -1.799   9.975
    7   1HG   MET   1          1HG       MET   1  14.494  -1.824  11.916
    8   2HG   MET   1          2HG       MET   1  14.301  -3.585  11.869
    9   1HE   MET   1          3HE       MET   1  14.872  -1.707  14.265
   10   2HE   MET   1          1HE       MET   1  14.903  -3.435  14.695
   11   3HE   MET   1          2HE       MET   1  16.240  -2.370  15.193
   12    H    LEU   2           H        LEU   2  12.911  -3.833   7.220
   13    HA   LEU   2           HA       LEU   2  14.932  -2.812   5.419
   14   1HB   LEU   2          1HB       LEU   2  12.773  -4.785   5.352
   15   2HB   LEU   2          2HB       LEU   2  12.857  -3.808   3.900
   16    HG   LEU   2           HG       LEU   2  15.512  -4.524   4.370
   17   1HD1  LEU   2          3HD1      LEU   2  13.676  -6.842   5.013
   18   2HD1  LEU   2          1HD1      LEU   2  15.379  -7.022   4.527
   19   3HD1  LEU   2          2HD1      LEU   2  14.968  -6.154   6.026
   20   1HD2  LEU   2          1HD2      LEU   2  13.400  -5.058   2.410
   21   2HD2  LEU   2          2HD2      LEU   2  15.116  -4.647   2.175
   22   3HD2  LEU   2          3HD2      LEU   2  14.640  -6.333   2.490
   23    H    VAL   3           H        VAL   3  13.580  -1.927   3.228
   24    HA   VAL   3           HA       VAL   3  11.715   0.107   4.160
   25    HB   VAL   3           HB       VAL   3  14.327   0.741   4.006
   26   1HG1  VAL   3          2HG1      VAL   3  14.242   0.149   1.515
   27   2HG1  VAL   3          3HG1      VAL   3  13.284   1.636   1.310
   28   3HG1  VAL   3          1HG1      VAL   3  14.943   1.726   1.950
   29   1HG2  VAL   3          2HG2      VAL   3  12.199   2.082   4.682
   30   2HG2  VAL   3          3HG2      VAL   3  13.658   2.967   4.173
   31   3HG2  VAL   3          1HG2      VAL   3  12.304   2.753   3.037
   32    H    ALA   4           H        ALA   4  10.914   1.379   2.073
   33    HA   ALA   4           HA       ALA   4  10.015   1.338   0.038
   34   1HB   ALA   4          2HB       ALA   4  12.343  -0.025  -0.383
   35   2HB   ALA   4          3HB       ALA   4  11.150  -1.270  -0.824
   36   3HB   ALA   4          1HB       ALA   4  11.141   0.306  -1.653
   37    H    LYS   5           H        LYS   5   7.855   1.032   0.249
   38    HA   LYS   5           HA       LYS   5   6.955  -1.605   1.133
   39   1HB   LYS   5          1HB       LYS   5   5.728   1.151   1.190
   40   2HB   LYS   5          2HB       LYS   5   4.741  -0.284   1.378
   41   1HG   LYS   5          1HG       LYS   5   7.163  -0.406   3.049
   42   2HG   LYS   5          2HG       LYS   5   6.207   1.018   3.403
   43   1HD   LYS   5          1HD       LYS   5   4.168  -0.440   3.657
   44   2HD   LYS   5          2HD       LYS   5   5.161  -1.854   3.362
   45   1HE   LYS   5          1HE       LYS   5   5.144  -1.782   5.710
   46   2HE   LYS   5          2HE       LYS   5   6.639  -0.940   5.351
   47   1HZ   LYS   5          2HZ       LYS   5   4.062   0.402   5.792
   48   2HZ   LYS   5          3HZ       LYS   5   5.223   0.231   6.929
   49   3HZ   LYS   5          1HZ       LYS   5   5.512   1.130   5.597
   50    H    SER   6           H        SER   6   4.659  -2.160   0.092
   51    HA   SER   6           HA       SER   6   4.562  -1.382  -2.665
   52   1HB   SER   6          1HB       SER   6   5.587  -4.022  -1.762
   53   2HB   SER   6          2HB       SER   6   4.334  -4.120  -2.983
   54    HG   SER   6           HG       SER   6   6.970  -3.392  -3.260
   55    H    SER   7           H        SER   7   2.579  -2.610  -3.748
   56    HA   SER   7           HA       SER   7   0.544  -2.830  -1.669
   57   1HB   SER   7          1HB       SER   7  -0.349  -1.071  -2.816
   58   2HB   SER   7          2HB       SER   7   0.638  -1.365  -4.233
   59    HG   SER   7           HG       SER   7  -1.262  -1.975  -5.061
   60    H    ILE   8           H        ILE   8  -0.993  -4.561  -1.834
   61    HA   ILE   8           HA       ILE   8  -0.641  -6.401  -4.060
   62    HB   ILE   8           HB       ILE   8  -0.483  -7.339  -1.199
   63   1HG1  ILE   8          1HG1      ILE   8   1.489  -5.935  -1.849
   64   2HG1  ILE   8          2HG1      ILE   8   1.871  -7.590  -1.417
   65   1HG2  ILE   8          2HG2      ILE   8  -0.863  -8.649  -3.754
   66   2HG2  ILE   8          3HG2      ILE   8   0.617  -9.223  -2.948
   67   3HG2  ILE   8          1HG2      ILE   8  -0.948  -9.313  -2.104
   68   1HD1  ILE   8          1HD1      ILE   8   1.312  -6.995  -4.318
   69   2HD1  ILE   8          2HD1      ILE   8   2.871  -6.474  -3.633
   70   3HD1  ILE   8          3HD1      ILE   8   2.415  -8.195  -3.601
   71    H    LEU   9           H        LEU   9  -2.635  -6.658  -4.896
   72    HA   LEU   9           HA       LEU   9  -4.901  -6.285  -3.100
   73   1HB   LEU   9          1HB       LEU   9  -4.650  -4.997  -5.242
   74   2HB   LEU   9          2HB       LEU   9  -4.864  -6.504  -6.110
   75    HG   LEU   9           HG       LEU   9  -7.102  -6.735  -4.896
   76   1HD1  LEU   9          3HD1      LEU   9  -6.205  -4.627  -3.393
   77   2HD1  LEU   9          1HD1      LEU   9  -7.298  -3.824  -4.547
   78   3HD1  LEU   9          2HD1      LEU   9  -7.899  -5.154  -3.527
   79   1HD2  LEU   9          2HD2      LEU   9  -6.344  -5.343  -7.246
   80   2HD2  LEU   9          3HD2      LEU   9  -7.898  -6.128  -6.873
   81   3HD2  LEU   9          1HD2      LEU   9  -7.650  -4.411  -6.475
   82    H    LEU  10           H        LEU  10  -5.891  -8.010  -2.214
   83    HA   LEU  10           HA       LEU  10  -5.412 -10.602  -3.488
   84   1HB   LEU  10          1HB       LEU  10  -5.973  -9.719  -0.680
   85   2HB   LEU  10          2HB       LEU  10  -6.362 -11.354  -1.176
   86    HG   LEU  10           HG       LEU  10  -4.007 -11.724  -1.821
   87   1HD1  LEU  10          2HD1      LEU  10  -3.833  -8.827  -1.279
   88   2HD1  LEU  10          3HD1      LEU  10  -2.494  -9.806  -0.633
   89   3HD1  LEU  10          1HD1      LEU  10  -2.877  -9.859  -2.370
   90   1HD2  LEU  10          1HD2      LEU  10  -5.063 -11.421   0.822
   91   2HD2  LEU  10          2HD2      LEU  10  -3.834 -12.561   0.222
   92   3HD2  LEU  10          3HD2      LEU  10  -3.344 -10.961   0.828
   93    H    ASP  11           H        ASP  11  -7.197 -12.094  -3.772
   94    HA   ASP  11           HA       ASP  11  -9.783 -10.766  -3.699
   95   1HB   ASP  11          1HB       ASP  11  -8.309 -11.501  -6.042
   96   2HB   ASP  11          2HB       ASP  11  -9.614 -12.662  -5.904
   97    H    VAL  12           H        VAL  12 -10.708 -12.025  -2.033
   98    HA   VAL  12           HA       VAL  12 -10.286 -14.916  -2.150
   99    HB   VAL  12           HB       VAL  12 -11.603 -13.341   0.056
  100   1HG1  VAL  12          1HG1      VAL  12 -10.545 -16.107  -0.308
  101   2HG1  VAL  12          2HG1      VAL  12 -10.314 -15.346   1.284
  102   3HG1  VAL  12          3HG1      VAL  12 -11.953 -15.527   0.613
  103   1HG2  VAL  12          1HG2      VAL  12  -8.837 -13.188  -0.801
  104   2HG2  VAL  12          2HG2      VAL  12  -9.679 -12.293   0.488
  105   3HG2  VAL  12          3HG2      VAL  12  -8.955 -13.883   0.834
  106    H    LYS  13           H        LYS  13 -12.019 -16.379  -2.316
  107    HA   LYS  13           HA       LYS  13 -14.526 -15.110  -3.167
  108   1HB   LYS  13          1HB       LYS  13 -13.177 -16.465  -4.843
  109   2HB   LYS  13          2HB       LYS  13 -13.551 -17.884  -3.884
  110   1HG   LYS  13          1HG       LYS  13 -15.926 -16.205  -4.467
  111   2HG   LYS  13          2HG       LYS  13 -15.154 -16.835  -5.909
  112   1HD   LYS  13          1HD       LYS  13 -15.467 -19.100  -5.248
  113   2HD   LYS  13          2HD       LYS  13 -15.693 -18.681  -3.562
  114   1HE   LYS  13          1HE       LYS  13 -17.906 -19.084  -4.209
  115   2HE   LYS  13          2HE       LYS  13 -17.812 -17.351  -4.449
  116   1HZ   LYS  13          2HZ       LYS  13 -16.916 -18.370  -6.778
  117   2HZ   LYS  13          3HZ       LYS  13 -18.116 -19.403  -6.378
  118   3HZ   LYS  13          1HZ       LYS  13 -18.424 -17.805  -6.507
  119    HA   PRO  14           HA       PRO  14 -16.123 -16.887   0.475
  120   1HB   PRO  14          1HB       PRO  14 -18.662 -15.897   0.268
  121   2HB   PRO  14          2HB       PRO  14 -17.335 -14.992   0.967
  122   1HG   PRO  14          1HG       PRO  14 -18.613 -14.663  -1.679
  123   2HG   PRO  14          2HG       PRO  14 -17.602 -13.533  -0.800
  124   1HD   PRO  14          1HD       PRO  14 -16.823 -15.154  -3.035
  125   2HD   PRO  14          2HD       PRO  14 -15.784 -14.111  -2.084
  126    H    TRP  15           H        TRP  15 -17.062 -18.776   1.116
  127    HA   TRP  15           HA       TRP  15 -17.450 -20.727  -0.694
  128   1HB   TRP  15          1HB       TRP  15 -18.317 -20.240   2.077
  129   2HB   TRP  15          2HB       TRP  15 -19.284 -21.416   1.209
  130    HD1  TRP  15           HD       TRP  15 -16.661 -21.654   3.527
  131    HE1  TRP  15          1HE       TRP  15 -14.976 -23.659   3.207
  132    HE3  TRP  15          3HE       TRP  15 -17.889 -22.604  -1.316
  133    HZ2  TRP  15          2HZ       TRP  15 -14.358 -25.378   1.016
  134    HZ3  TRP  15          3HZ       TRP  15 -16.697 -24.463  -2.472
  135    HH2  TRP  15           HH       TRP  15 -14.986 -25.828  -1.385
  136    H    ASP  16           H        ASP  16 -19.786 -18.213   0.393
  137    HA   ASP  16           HA       ASP  16 -21.153 -18.325  -2.024
  138   1HB   ASP  16          1HB       ASP  16 -22.043 -20.206  -0.002
  139   2HB   ASP  16          2HB       ASP  16 -23.284 -18.988  -0.211
  140    H    ASP  17           H        ASP  17 -23.663 -17.267  -1.264
  141    HA   ASP  17           HA       ASP  17 -22.956 -14.717  -0.454
  142   1HB   ASP  17          1HB       ASP  17 -24.924 -14.780  -1.710
  143   2HB   ASP  17          2HB       ASP  17 -25.509 -16.231  -0.920
  144    H    GLU  18           H        GLU  18 -23.771 -17.665   1.276
  145    HA   GLU  18           HA       GLU  18 -24.866 -16.571   3.572
  146   1HB   GLU  18          1HB       GLU  18 -24.267 -18.745   4.622
  147   2HB   GLU  18          2HB       GLU  18 -25.015 -18.961   3.051
  148   1HG   GLU  18          1HG       GLU  18 -22.881 -19.405   1.989
  149   2HG   GLU  18          2HG       GLU  18 -21.988 -18.861   3.396
  150    H    THR  19           H        THR  19 -21.498 -16.987   2.459
  151    HA   THR  19           HA       THR  19 -20.229 -16.585   4.925
  152    HB   THR  19           HB       THR  19 -19.548 -16.448   1.990
  153    HG1  THR  19          1HG       THR  19 -17.924 -17.964   3.014
  154   1HG2  THR  19          3HG2      THR  19 -17.819 -15.375   4.274
  155   2HG2  THR  19          1HG2      THR  19 -17.141 -15.948   2.732
  156   3HG2  THR  19          2HG2      THR  19 -18.232 -14.542   2.756
  157    H    ASP  20           H        ASP  20 -20.956 -14.955   6.222
  158    HA   ASP  20           HA       ASP  20 -21.956 -12.606   5.588
  159   1HB   ASP  20          1HB       ASP  20 -20.798 -13.751   7.871
  160   2HB   ASP  20          2HB       ASP  20 -19.855 -12.290   7.649
  161    H    MET  21           H        MET  21 -21.206 -11.271   3.909
  162    HA   MET  21           HA       MET  21 -18.511 -11.102   3.223
  163   1HB   MET  21          1HB       MET  21 -20.861  -9.214   2.637
  164   2HB   MET  21          2HB       MET  21 -19.337  -9.188   1.774
  165   1HG   MET  21          1HG       MET  21 -21.277 -11.549   1.881
  166   2HG   MET  21          2HG       MET  21 -21.055 -10.474   0.515
  167   1HE   MET  21          1HE       MET  21 -19.158 -10.198  -0.837
  168   2HE   MET  21          2HE       MET  21 -17.970 -11.473  -1.202
  169   3HE   MET  21          3HE       MET  21 -19.700 -11.749  -1.524
  170    H    ALA  22           H        ALA  22 -20.702  -8.931   5.113
  171    HA   ALA  22           HA       ALA  22 -18.950  -6.819   5.443
  172   1HB   ALA  22          1HB       ALA  22 -21.450  -7.063   6.032
  173   2HB   ALA  22          2HB       ALA  22 -20.893  -7.789   7.559
  174   3HB   ALA  22          3HB       ALA  22 -20.438  -6.118   7.151
  175    H    LYS  23           H        LYS  23 -19.395  -9.824   7.414
  176    HA   LYS  23           HA       LYS  23 -17.485  -9.139   9.343
  177   1HB   LYS  23          1HB       LYS  23 -19.367 -10.993   9.244
  178   2HB   LYS  23          2HB       LYS  23 -18.069 -11.990   8.618
  179   1HG   LYS  23          1HG       LYS  23 -17.306 -12.291  10.729
  180   2HG   LYS  23          2HG       LYS  23 -16.955 -10.577  10.832
  181   1HD   LYS  23          1HD       LYS  23 -19.581 -10.391  11.319
  182   2HD   LYS  23          2HD       LYS  23 -19.404 -12.072  11.781
  183   1HE   LYS  23          1HE       LYS  23 -17.550  -9.919  12.880
  184   2HE   LYS  23          2HE       LYS  23 -19.089 -10.276  13.638
  185   1HZ   LYS  23          2HZ       LYS  23 -17.046 -12.315  13.106
  186   2HZ   LYS  23          3HZ       LYS  23 -17.196 -11.532  14.531
  187   3HZ   LYS  23          1HZ       LYS  23 -18.402 -12.495  13.997
  188    H    LEU  24           H        LEU  24 -17.279 -11.079   6.293
  189    HA   LEU  24           HA       LEU  24 -14.595 -11.758   6.574
  190   1HB   LEU  24          1HB       LEU  24 -16.657 -12.231   4.785
  191   2HB   LEU  24          2HB       LEU  24 -15.484 -11.350   3.826
  192    HG   LEU  24           HG       LEU  24 -14.920 -13.881   5.399
  193   1HD1  LEU  24          2HD1      LEU  24 -16.231 -13.569   2.930
  194   2HD1  LEU  24          3HD1      LEU  24 -14.581 -14.111   2.545
  195   3HD1  LEU  24          1HD1      LEU  24 -15.596 -15.067   3.651
  196   1HD2  LEU  24          1HD2      LEU  24 -13.174 -12.017   3.838
  197   2HD2  LEU  24          2HD2      LEU  24 -12.854 -12.887   5.357
  198   3HD2  LEU  24          3HD2      LEU  24 -12.827 -13.762   3.807
  199    H    GLU  25           H        GLU  25 -16.182  -8.955   4.919
  200    HA   GLU  25           HA       GLU  25 -13.841  -7.850   3.975
  201   1HB   GLU  25          1HB       GLU  25 -16.534  -7.255   3.818
  202   2HB   GLU  25          2HB       GLU  25 -15.952  -5.927   4.801
  203   1HG   GLU  25          1HG       GLU  25 -15.725  -5.172   2.542
  204   2HG   GLU  25          2HG       GLU  25 -14.098  -5.587   3.048
  205    H    GLU  26           H        GLU  26 -15.742  -6.990   6.959
  206    HA   GLU  26           HA       GLU  26 -13.933  -5.142   7.890
  207   1HB   GLU  26          1HB       GLU  26 -16.004  -6.887   9.258
  208   2HB   GLU  26          2HB       GLU  26 -15.018  -5.774  10.185
  209   1HG   GLU  26          1HG       GLU  26 -16.589  -4.877   7.733
  210   2HG   GLU  26          2HG       GLU  26 -17.301  -4.893   9.334
  211    H    CYS  27           H        CYS  27 -14.373  -8.586   8.997
  212    HA   CYS  27           HA       CYS  27 -12.333  -8.770  10.725
  213   1HB   CYS  27          1HB       CYS  27 -13.919 -10.592  10.230
  214   2HB   CYS  27          2HB       CYS  27 -13.127 -10.884   8.694
  215    HG   CYS  27           HG       CYS  27 -11.202 -12.097   9.437
  216    H    VAL  28           H        VAL  28 -12.148  -9.328   7.130
  217    HA   VAL  28           HA       VAL  28  -9.542  -9.905   6.833
  218    HB   VAL  28           HB       VAL  28 -11.482  -8.292   5.218
  219   1HG1  VAL  28          3HG1      VAL  28  -8.565  -8.269   4.909
  220   2HG1  VAL  28          1HG1      VAL  28  -9.422  -8.820   3.449
  221   3HG1  VAL  28          2HG1      VAL  28  -9.807  -7.235   4.163
  222   1HG2  VAL  28          3HG2      VAL  28 -11.192 -10.964   5.557
  223   2HG2  VAL  28          1HG2      VAL  28 -11.838 -10.218   4.076
  224   3HG2  VAL  28          2HG2      VAL  28 -10.129 -10.709   4.152
  225    H    ARG  29           H        ARG  29 -10.953  -6.588   7.199
  226    HA   ARG  29           HA       ARG  29  -8.451  -5.353   7.045
  227   1HB   ARG  29          1HB       ARG  29 -11.111  -4.519   7.050
  228   2HB   ARG  29          2HB       ARG  29 -10.553  -3.934   8.603
  229   1HG   ARG  29          1HG       ARG  29  -8.435  -3.172   7.044
  230   2HG   ARG  29          2HG       ARG  29  -9.715  -3.110   5.848
  231   1HD   ARG  29          1HD       ARG  29 -10.609  -1.220   6.761
  232   2HD   ARG  29          2HD       ARG  29 -10.593  -1.901   8.376
  233    HE   ARG  29           HE       ARG  29  -8.515  -0.212   7.164
  234   1HH1  ARG  29          2HH2      ARG  29  -9.271  -2.496   9.732
  235   2HH1  ARG  29          1HH2      ARG  29  -7.977  -1.970  10.755
  236   1HH2  ARG  29          2HH1      ARG  29  -6.808   0.483   8.515
  237   2HH2  ARG  29          1HH1      ARG  29  -6.566  -0.263  10.059
  238    H    SER  30           H        SER  30 -10.480  -6.651   9.699
  239    HA   SER  30           HA       SER  30  -9.243  -5.432  11.816
  240   1HB   SER  30          1HB       SER  30 -10.379  -6.981  13.158
  241   2HB   SER  30          2HB       SER  30 -11.335  -7.008  11.689
  242    HG   SER  30           HG       SER  30 -10.128  -9.081  12.886
  243    H    ILE  31           H        ILE  31  -8.167  -8.043   9.688
  244    HA   ILE  31           HA       ILE  31  -6.347  -9.337  11.292
  245    HB   ILE  31           HB       ILE  31  -6.225  -8.709   8.340
  246   1HG1  ILE  31          1HG1      ILE  31  -8.260  -9.854   8.841
  247   2HG1  ILE  31          2HG1      ILE  31  -7.160 -11.007   8.113
  248   1HG2  ILE  31          1HG2      ILE  31  -4.618 -10.613  10.049
  249   2HG2  ILE  31          2HG2      ILE  31  -4.812 -10.822   8.292
  250   3HG2  ILE  31          3HG2      ILE  31  -4.036  -9.355   8.932
  251   1HD1  ILE  31          3HD1      ILE  31  -6.528 -11.304  10.784
  252   2HD1  ILE  31          1HD1      ILE  31  -8.267 -10.929  10.867
  253   3HD1  ILE  31          2HD1      ILE  31  -7.700 -12.317   9.908
  254    H    GLN  32           H        GLN  32  -4.574  -8.692  12.384
  255    HA   GLN  32           HA       GLN  32  -3.313  -6.245  11.416
  256   1HB   GLN  32          1HB       GLN  32  -4.548  -6.294  13.735
  257   2HB   GLN  32          2HB       GLN  32  -3.152  -7.197  14.291
  258   1HG   GLN  32          1HG       GLN  32  -2.236  -4.906  12.758
  259   2HG   GLN  32          2HG       GLN  32  -3.393  -4.359  13.955
  260   1HE2  GLN  32          2HE2      GLN  32  -0.999  -4.305  16.438
  261   2HE2  GLN  32          1HE2      GLN  32  -2.331  -3.575  15.606
  262    H    ALA  33           H        ALA  33  -0.999  -6.163  11.371
  263    HA   ALA  33           HA       ALA  33   0.522  -8.381  12.336
  264   1HB   ALA  33          2HB       ALA  33  -0.418  -9.362  10.273
  265   2HB   ALA  33          3HB       ALA  33   0.210  -7.989   9.332
  266   3HB   ALA  33          1HB       ALA  33   1.338  -9.113  10.125
  267    H    ASP  34           H        ASP  34   2.899  -8.016  11.869
  268    HA   ASP  34           HA       ASP  34   3.457  -5.311  12.320
  269   1HB   ASP  34          1HB       ASP  34   4.747  -7.583  12.924
  270   2HB   ASP  34          2HB       ASP  34   5.567  -7.274  11.406
  271    H    GLY  35           H        GLY  35   4.524  -3.786  10.885
  272   1HA   GLY  35          1HA       GLY  35   4.923  -2.788   8.912
  273   2HA   GLY  35          2HA       GLY  35   5.646  -4.308   8.423
  274    H    LEU  36           H        LEU  36   2.256  -4.355   9.387
  275    HA   LEU  36           HA       LEU  36   1.548  -4.647   6.552
  276   1HB   LEU  36          1HB       LEU  36   1.367  -6.603   8.222
  277   2HB   LEU  36          2HB       LEU  36  -0.019  -5.747   8.869
  278    HG   LEU  36           HG       LEU  36  -0.454  -5.816   6.096
  279   1HD1  LEU  36          2HD1      LEU  36   0.603  -8.475   7.092
  280   2HD1  LEU  36          3HD1      LEU  36  -0.335  -8.249   5.597
  281   3HD1  LEU  36          1HD1      LEU  36   1.259  -7.475   5.772
  282   1HD2  LEU  36          3HD2      LEU  36  -1.669  -6.820   8.555
  283   2HD2  LEU  36          1HD2      LEU  36  -2.420  -6.114   7.104
  284   3HD2  LEU  36          2HD2      LEU  36  -2.011  -7.846   7.142
  285    H    VAL  37           H        VAL  37   0.125  -3.227   5.660
  286    HA   VAL  37           HA       VAL  37  -1.387  -1.547   7.532
  287    HB   VAL  37           HB       VAL  37   0.168  -0.711   5.079
  288   1HG1  VAL  37          3HG1      VAL  37  -2.138   0.350   5.315
  289   2HG1  VAL  37          1HG1      VAL  37  -1.532   1.100   6.810
  290   3HG1  VAL  37          2HG1      VAL  37  -0.754   1.468   5.252
  291   1HG2  VAL  37          1HG2      VAL  37   0.529  -0.371   8.033
  292   2HG2  VAL  37          2HG2      VAL  37   1.736  -0.667   6.758
  293   3HG2  VAL  37          3HG2      VAL  37   1.030   0.955   6.957
  294    H    TRP  38           H        TRP  38  -3.548  -1.496   7.127
  295    HA   TRP  38           HA       TRP  38  -4.444  -2.886   4.728
  296   1HB   TRP  38          1HB       TRP  38  -5.640  -2.237   7.390
  297   2HB   TRP  38          2HB       TRP  38  -6.706  -2.493   6.023
  298    HD1  TRP  38           HD       TRP  38  -5.241  -4.439   8.720
  299    HE1  TRP  38          1HE       TRP  38  -5.166  -7.040   8.281
  300    HE3  TRP  38          3HE       TRP  38  -6.079  -4.149   3.713
  301    HZ2  TRP  38          2HZ       TRP  38  -5.458  -8.648   5.941
  302    HZ3  TRP  38          3HZ       TRP  38  -6.170  -6.281   2.425
  303    HH2  TRP  38           HH       TRP  38  -5.875  -8.475   3.460
  304    H    GLY  39           H        GLY  39  -4.768  -1.629   2.943
  305   1HA   GLY  39          1HA       GLY  39  -4.980   1.205   3.099
  306   2HA   GLY  39          2HA       GLY  39  -5.160   0.198   1.677
  307    H    SER  40           H        SER  40  -7.280  -0.998   1.395
  308    HA   SER  40           HA       SER  40  -9.468  -0.281   2.974
  309   1HB   SER  40          1HB       SER  40  -8.749   1.617   0.903
  310   2HB   SER  40          2HB       SER  40 -10.283   0.880   0.487
  311    HG   SER  40           HG       SER  40 -10.835   1.364   2.872
  312    H    SER  41           H        SER  41 -11.290  -1.593   2.431
  313    HA   SER  41           HA       SER  41 -10.695  -3.491   0.315
  314   1HB   SER  41          1HB       SER  41 -12.445  -4.907   1.474
  315   2HB   SER  41          2HB       SER  41 -11.030  -4.561   2.449
  316    HG   SER  41           HG       SER  41 -12.548  -3.977   3.876
  317    H    LYS  42           H        LYS  42 -12.484  -4.189  -1.134
  318    HA   LYS  42           HA       LYS  42 -14.734  -2.332  -1.216
  319   1HB   LYS  42          1HB       LYS  42 -14.301  -2.402  -3.820
  320   2HB   LYS  42          2HB       LYS  42 -13.536  -1.204  -2.796
  321   1HG   LYS  42          1HG       LYS  42 -11.437  -2.126  -3.040
  322   2HG   LYS  42          2HG       LYS  42 -12.039  -3.772  -3.013
  323   1HD   LYS  42          1HD       LYS  42 -11.676  -3.804  -5.258
  324   2HD   LYS  42          2HD       LYS  42 -13.099  -2.790  -5.402
  325   1HE   LYS  42          1HE       LYS  42 -11.838  -1.048  -6.124
  326   2HE   LYS  42          2HE       LYS  42 -10.866  -1.102  -4.668
  327   1HZ   LYS  42          2HZ       LYS  42 -10.056  -3.234  -6.163
  328   2HZ   LYS  42          3HZ       LYS  42 -10.225  -2.022  -7.245
  329   3HZ   LYS  42          1HZ       LYS  42  -9.248  -1.831  -5.950
  330    H    LEU  43           H        LEU  43 -16.465  -3.174  -2.776
  331    HA   LEU  43           HA       LEU  43 -16.411  -6.112  -2.700
  332   1HB   LEU  43          1HB       LEU  43 -18.422  -4.136  -1.821
  333   2HB   LEU  43          2HB       LEU  43 -19.052  -5.493  -2.734
  334    HG   LEU  43           HG       LEU  43 -19.231  -6.119  -0.481
  335   1HD1  LEU  43          3HD1      LEU  43 -18.099  -7.769  -2.106
  336   2HD1  LEU  43          1HD1      LEU  43 -16.616  -7.440  -1.179
  337   3HD1  LEU  43          2HD1      LEU  43 -18.043  -8.120  -0.362
  338   1HD2  LEU  43          3HD2      LEU  43 -17.595  -4.284   0.266
  339   2HD2  LEU  43          1HD2      LEU  43 -17.678  -5.778   1.232
  340   3HD2  LEU  43          2HD2      LEU  43 -16.333  -5.527   0.094
  341    H    VAL  44           H        VAL  44 -17.467  -7.219  -4.480
  342    HA   VAL  44           HA       VAL  44 -18.200  -5.584  -6.752
  343    HB   VAL  44           HB       VAL  44 -15.769  -7.358  -6.660
  344   1HG1  VAL  44          2HG1      VAL  44 -17.349  -6.513  -9.109
  345   2HG1  VAL  44          3HG1      VAL  44 -15.688  -7.148  -9.155
  346   3HG1  VAL  44          1HG1      VAL  44 -17.015  -8.170  -8.555
  347   1HG2  VAL  44          2HG2      VAL  44 -16.320  -4.498  -7.482
  348   2HG2  VAL  44          3HG2      VAL  44 -15.215  -5.102  -6.223
  349   3HG2  VAL  44          1HG2      VAL  44 -14.829  -5.354  -7.942
  350    HA   PRO  45           HA       PRO  45 -20.831  -9.127  -6.481
  351   1HB   PRO  45          1HB       PRO  45 -23.027  -7.961  -7.615
  352   2HB   PRO  45          2HB       PRO  45 -22.697  -7.912  -5.894
  353   1HG   PRO  45          1HG       PRO  45 -22.394  -5.764  -7.903
  354   2HG   PRO  45          2HG       PRO  45 -22.482  -5.631  -6.157
  355   1HD   PRO  45          1HD       PRO  45 -20.123  -5.434  -7.777
  356   2HD   PRO  45          2HD       PRO  45 -20.198  -5.417  -6.026
  357    H    VAL  46           H        VAL  46 -21.161 -10.846  -7.806
  358    HA   VAL  46           HA       VAL  46 -20.246 -10.351 -10.518
  359    HB   VAL  46           HB       VAL  46 -20.688 -12.794  -8.816
  360   1HG1  VAL  46          3HG1      VAL  46 -20.415 -12.604 -11.801
  361   2HG1  VAL  46          1HG1      VAL  46 -19.665 -13.968 -10.937
  362   3HG1  VAL  46          2HG1      VAL  46 -21.419 -13.694 -10.815
  363   1HG2  VAL  46          2HG2      VAL  46 -18.558 -11.215  -8.859
  364   2HG2  VAL  46          3HG2      VAL  46 -18.398 -12.984  -8.743
  365   3HG2  VAL  46          1HG2      VAL  46 -18.167 -12.171 -10.309
  366    H    GLY  47           H        GLY  47 -22.961 -12.175  -8.919
  367   1HA   GLY  47          1HA       GLY  47 -24.557 -11.759 -11.350
  368   2HA   GLY  47          2HA       GLY  47 -24.851 -12.933 -10.084
  369    H    TYR  48           H        TYR  48 -25.027 -11.722  -7.736
  370    HA   TYR  48           HA       TYR  48 -25.989  -9.178  -7.505
  371   1HB   TYR  48          1HB       TYR  48 -27.780 -11.066  -8.875
  372   2HB   TYR  48          2HB       TYR  48 -28.508 -10.609  -7.348
  373    HD1  TYR  48          1HD       TYR  48 -28.318  -7.927  -6.875
  374    HD2  TYR  48          2HD       TYR  48 -28.369  -9.800 -10.721
  375    HE1  TYR  48          1HE       TYR  48 -29.147  -5.765  -7.926
  376    HE2  TYR  48          2HE       TYR  48 -29.198  -7.632 -11.758
  377    HH   TYR  48           HH       TYR  48 -29.036  -5.186 -11.181
  378    H    GLY  49           H        GLY  49 -26.486 -12.628  -6.621
  379   1HA   GLY  49          1HA       GLY  49 -27.267 -11.988  -3.918
  380   2HA   GLY  49          2HA       GLY  49 -26.986 -13.573  -4.611
  381    H    ILE  50           H        ILE  50 -24.437 -13.690  -5.458
  382    HA   ILE  50           HA       ILE  50 -22.970 -13.402  -2.983
  383    HB   ILE  50           HB       ILE  50 -22.631 -14.899  -5.542
  384   1HG1  ILE  50          1HG1      ILE  50 -21.905 -16.491  -3.402
  385   2HG1  ILE  50          2HG1      ILE  50 -23.147 -15.467  -2.708
  386   1HG2  ILE  50          2HG2      ILE  50 -20.477 -13.744  -5.209
  387   2HG2  ILE  50          3HG2      ILE  50 -20.376 -14.434  -3.572
  388   3HG2  ILE  50          1HG2      ILE  50 -20.350 -15.506  -4.993
  389   1HD1  ILE  50          1HD1      ILE  50 -23.671 -16.638  -5.433
  390   2HD1  ILE  50          2HD1      ILE  50 -23.771 -17.716  -4.021
  391   3HD1  ILE  50          3HD1      ILE  50 -24.814 -16.276  -4.118
  392    H    LYS  51           H        LYS  51 -20.649 -12.571  -3.101
  393    HA   LYS  51           HA       LYS  51 -20.328 -10.502  -5.124
  394   1HB   LYS  51          1HB       LYS  51 -20.672 -10.027  -2.181
  395   2HB   LYS  51          2HB       LYS  51 -19.575  -9.003  -3.085
  396   1HG   LYS  51          1HG       LYS  51 -21.310  -7.840  -3.964
  397   2HG   LYS  51          2HG       LYS  51 -22.000  -9.305  -4.632
  398   1HD   LYS  51          1HD       LYS  51 -22.989  -9.796  -2.327
  399   2HD   LYS  51          2HD       LYS  51 -22.436  -8.213  -1.815
  400   1HE   LYS  51          1HE       LYS  51 -24.008  -8.268  -4.365
  401   2HE   LYS  51          2HE       LYS  51 -24.904  -8.677  -2.915
  402   1HZ   LYS  51          3HZ       LYS  51 -23.284  -6.464  -2.399
  403   2HZ   LYS  51          1HZ       LYS  51 -24.143  -6.174  -3.758
  404   3HZ   LYS  51          2HZ       LYS  51 -24.914  -6.560  -2.372
  405    H    LYS  52           H        LYS  52 -18.051  -9.631  -5.120
  406    HA   LYS  52           HA       LYS  52 -16.266 -11.857  -4.632
  407   1HB   LYS  52          1HB       LYS  52 -16.016 -10.947  -6.777
  408   2HB   LYS  52          2HB       LYS  52 -16.110  -9.294  -6.205
  409   1HG   LYS  52          1HG       LYS  52 -13.880  -9.209  -5.705
  410   2HG   LYS  52          2HG       LYS  52 -13.893 -10.790  -4.952
  411   1HD   LYS  52          1HD       LYS  52 -12.615 -11.337  -6.795
  412   2HD   LYS  52          2HD       LYS  52 -14.192 -11.595  -7.516
  413   1HE   LYS  52          1HE       LYS  52 -13.477  -8.772  -7.703
  414   2HE   LYS  52          2HE       LYS  52 -12.180  -9.753  -8.357
  415   1HZ   LYS  52          2HZ       LYS  52 -15.007 -10.023  -9.113
  416   2HZ   LYS  52          3HZ       LYS  52 -13.879  -9.228  -9.988
  417   3HZ   LYS  52          1HZ       LYS  52 -13.756 -10.842  -9.768
  418    H    LEU  53           H        LEU  53 -14.595 -11.899  -3.141
  419    HA   LEU  53           HA       LEU  53 -14.733  -9.779  -1.142
  420   1HB   LEU  53          1HB       LEU  53 -14.659 -12.548  -0.983
  421   2HB   LEU  53          2HB       LEU  53 -13.028 -12.068  -0.560
  422    HG   LEU  53           HG       LEU  53 -14.488 -12.326   1.403
  423   1HD1  LEU  53          3HD1      LEU  53 -13.081  -9.808   0.734
  424   2HD1  LEU  53          1HD1      LEU  53 -14.154  -9.753   2.152
  425   3HD1  LEU  53          2HD1      LEU  53 -12.837 -10.947   2.081
  426   1HD2  LEU  53          2HD2      LEU  53 -16.294 -10.706  -0.190
  427   2HD2  LEU  53          3HD2      LEU  53 -16.614 -11.694   1.255
  428   3HD2  LEU  53          1HD2      LEU  53 -16.051 -10.015   1.433
  429    H    GLN  54           H        GLN  54 -13.628  -8.176  -2.464
  430    HA   GLN  54           HA       GLN  54 -10.816  -8.830  -2.851
  431   1HB   GLN  54          1HB       GLN  54 -11.812  -8.162  -4.932
  432   2HB   GLN  54          2HB       GLN  54 -12.654  -6.816  -4.192
  433   1HG   GLN  54          1HG       GLN  54 -10.857  -5.439  -4.428
  434   2HG   GLN  54          2HG       GLN  54  -9.770  -6.613  -3.715
  435   1HE2  GLN  54          2HE2      GLN  54 -10.059  -6.077  -7.751
  436   2HE2  GLN  54          1HE2      GLN  54 -11.020  -5.222  -6.591
  437    H    ILE  55           H        ILE  55  -9.193  -7.549  -1.899
  438    HA   ILE  55           HA       ILE  55  -9.970  -5.137  -0.520
  439    HB   ILE  55           HB       ILE  55  -9.513  -5.783   1.642
  440   1HG1  ILE  55          1HG1      ILE  55  -7.380  -6.997   0.995
  441   2HG1  ILE  55          2HG1      ILE  55  -8.256  -7.629   2.374
  442   1HG2  ILE  55          1HG2      ILE  55 -10.883  -8.159   0.354
  443   2HG2  ILE  55          2HG2      ILE  55 -10.891  -7.781   2.093
  444   3HG2  ILE  55          3HG2      ILE  55 -11.654  -6.665   0.936
  445   1HD1  ILE  55          1HD1      ILE  55  -8.701  -8.719  -0.433
  446   2HD1  ILE  55          2HD1      ILE  55  -7.428  -9.350   0.639
  447   3HD1  ILE  55          3HD1      ILE  55  -9.138  -9.471   1.120
  448    H    GLN  56           H        GLN  56  -8.189  -3.748  -0.141
  449    HA   GLN  56           HA       GLN  56  -5.766  -4.709  -1.447
  450   1HB   GLN  56          1HB       GLN  56  -6.835  -2.832  -2.620
  451   2HB   GLN  56          2HB       GLN  56  -6.865  -1.879  -1.149
  452   1HG   GLN  56          1HG       GLN  56  -4.950  -1.074  -2.299
  453   2HG   GLN  56          2HG       GLN  56  -4.284  -2.161  -1.097
  454   1HE2  GLN  56          2HE2      GLN  56  -2.586  -4.075  -3.406
  455   2HE2  GLN  56          1HE2      GLN  56  -2.738  -3.388  -1.824
  456    H    CYS  57           H        CYS  57  -3.712  -4.324  -0.457
  457    HA   CYS  57           HA       CYS  57  -3.821  -3.159   2.213
  458   1HB   CYS  57          1HB       CYS  57  -2.132  -5.112   2.803
  459   2HB   CYS  57          2HB       CYS  57  -3.863  -5.315   2.979
  460    HG   CYS  57           HG       CYS  57  -2.556  -7.436   1.889
  461    H    VAL  58           H        VAL  58  -1.528  -2.609   2.972
  462    HA   VAL  58           HA       VAL  58   0.179  -2.091   0.634
  463    HB   VAL  58           HB       VAL  58  -0.194  -0.418   3.126
  464   1HG1  VAL  58          2HG1      VAL  58   1.599  -0.159   0.712
  465   2HG1  VAL  58          3HG1      VAL  58   1.087   1.272   1.638
  466   3HG1  VAL  58          1HG1      VAL  58   2.008  -0.023   2.439
  467   1HG2  VAL  58          3HG2      VAL  58  -1.396  -0.284   0.378
  468   2HG2  VAL  58          1HG2      VAL  58  -2.143   0.013   1.967
  469   3HG2  VAL  58          2HG2      VAL  58  -1.053   1.228   1.255
  470    H    VAL  59           H        VAL  59   1.176  -4.206   1.009
  471    HA   VAL  59           HA       VAL  59   2.518  -4.564   3.539
  472    HB   VAL  59           HB       VAL  59   3.034  -6.719   2.753
  473   1HG1  VAL  59          1HG1      VAL  59   0.314  -5.871   1.714
  474   2HG1  VAL  59          2HG1      VAL  59   0.837  -7.564   1.870
  475   3HG1  VAL  59          3HG1      VAL  59   0.709  -6.535   3.317
  476   1HG2  VAL  59          3HG2      VAL  59   2.330  -5.768  -0.045
  477   2HG2  VAL  59          1HG2      VAL  59   3.959  -6.137   0.570
  478   3HG2  VAL  59          2HG2      VAL  59   2.755  -7.437   0.406
  479    H    GLU  60           H        GLU  60   4.951  -5.431   3.235
  480    HA   GLU  60           HA       GLU  60   6.299  -3.168   2.116
  481   1HB   GLU  60          1HB       GLU  60   6.843  -5.218   4.134
  482   2HB   GLU  60          2HB       GLU  60   8.215  -5.020   3.063
  483   1HG   GLU  60          1HG       GLU  60   6.886  -2.512   4.066
  484   2HG   GLU  60          2HG       GLU  60   7.824  -3.436   5.223
  485    H    ASP  61           H        ASP  61   8.733  -4.119   1.223
  486    HA   ASP  61           HA       ASP  61   7.927  -5.261  -1.264
  487   1HB   ASP  61          1HB       ASP  61   9.552  -3.591  -1.555
  488   2HB   ASP  61          2HB       ASP  61  10.431  -4.045  -0.108
  489    H    ASP  62           H        ASP  62  10.103  -6.030   1.540
  490    HA   ASP  62           HA       ASP  62   9.783  -8.824   0.894
  491   1HB   ASP  62          1HB       ASP  62  12.062  -7.587   0.051
  492   2HB   ASP  62          2HB       ASP  62  12.544  -7.954   1.697
  493    H    LYS  63           H        LYS  63   8.858  -6.805   2.972
  494    HA   LYS  63           HA       LYS  63  10.314  -7.700   5.336
  495   1HB   LYS  63          1HB       LYS  63   9.450  -5.222   4.625
  496   2HB   LYS  63          2HB       LYS  63   8.086  -5.758   5.584
  497   1HG   LYS  63          1HG       LYS  63   9.997  -6.562   7.279
  498   2HG   LYS  63          2HG       LYS  63  10.964  -5.374   6.426
  499   1HD   LYS  63          1HD       LYS  63   8.256  -4.405   7.188
  500   2HD   LYS  63          2HD       LYS  63   9.275  -4.815   8.554
  501   1HE   LYS  63          1HE       LYS  63  11.032  -3.293   7.799
  502   2HE   LYS  63          2HE       LYS  63  10.219  -3.022   6.270
  503   1HZ   LYS  63          3HZ       LYS  63   8.324  -2.349   7.993
  504   2HZ   LYS  63          1HZ       LYS  63   9.645  -1.910   8.846
  505   3HZ   LYS  63          2HZ       LYS  63   9.388  -1.285   7.360
  506    H    VAL  64           H        VAL  64   6.817  -7.114   4.532
  507    HA   VAL  64           HA       VAL  64   6.241  -9.567   6.037
  508    HB   VAL  64           HB       VAL  64   5.372  -7.144   6.625
  509   1HG1  VAL  64          2HG1      VAL  64   4.380  -6.997   4.235
  510   2HG1  VAL  64          3HG1      VAL  64   3.089  -8.044   4.872
  511   3HG1  VAL  64          1HG1      VAL  64   3.386  -6.451   5.606
  512   1HG2  VAL  64          2HG2      VAL  64   4.844  -9.427   7.677
  513   2HG2  VAL  64          3HG2      VAL  64   3.643  -8.130   7.886
  514   3HG2  VAL  64          1HG2      VAL  64   3.371  -9.410   6.679
  515    H    GLY  65           H        GLY  65   4.856 -11.149   5.130
  516   1HA   GLY  65          1HA       GLY  65   4.522 -10.879   2.206
  517   2HA   GLY  65          2HA       GLY  65   4.783 -12.381   3.069
  518    H    THR  66           H        THR  66   2.591 -12.004   1.290
  519    HA   THR  66           HA       THR  66   0.257 -11.309   2.799
  520    HB   THR  66           HB       THR  66   0.915 -12.384   0.036
  521    HG1  THR  66          1HG       THR  66   0.308 -10.262  -0.358
  522   1HG2  THR  66          2HG2      THR  66  -1.683 -12.605   1.511
  523   2HG2  THR  66          3HG2      THR  66  -1.775 -11.827  -0.087
  524   3HG2  THR  66          1HG2      THR  66  -1.129 -13.479   0.062
  525    H    ASP  67           H        ASP  67   2.245 -14.152   2.440
  526    HA   ASP  67           HA       ASP  67   0.590 -16.203   2.620
  527   1HB   ASP  67          1HB       ASP  67   2.305 -17.136   4.383
  528   2HB   ASP  67          2HB       ASP  67   2.864 -16.757   2.767
  529    H    MET  68           H        MET  68   1.764 -14.231   5.458
  530    HA   MET  68           HA       MET  68   0.324 -15.481   7.396
  531   1HB   MET  68          1HB       MET  68   1.996 -13.244   7.169
  532   2HB   MET  68          2HB       MET  68   0.480 -12.509   7.652
  533   1HG   MET  68          1HG       MET  68   0.680 -14.748   9.344
  534   2HG   MET  68          2HG       MET  68   2.333 -14.180   9.231
  535   1HE   MET  68          3HE       MET  68  -1.084 -12.916   8.974
  536   2HE   MET  68          1HE       MET  68  -1.429 -12.521  10.676
  537   3HE   MET  68          2HE       MET  68  -0.961 -11.233   9.540
  538    H    LEU  69           H        LEU  69  -0.688 -12.868   5.138
  539    HA   LEU  69           HA       LEU  69  -3.151 -12.360   6.410
  540   1HB   LEU  69          1HB       LEU  69  -1.990 -11.780   3.702
  541   2HB   LEU  69          2HB       LEU  69  -3.669 -11.419   4.053
  542    HG   LEU  69           HG       LEU  69  -1.240 -10.287   5.465
  543   1HD1  LEU  69          3HD1      LEU  69  -3.262  -9.093   3.557
  544   2HD1  LEU  69          1HD1      LEU  69  -2.155  -8.123   4.558
  545   3HD1  LEU  69          2HD1      LEU  69  -1.501  -9.248   3.344
  546   1HD2  LEU  69          2HD2      LEU  69  -3.978 -10.546   6.383
  547   2HD2  LEU  69          3HD2      LEU  69  -2.533  -9.962   7.242
  548   3HD2  LEU  69          1HD2      LEU  69  -3.494  -8.837   6.253
  549    H    GLU  70           H        GLU  70  -2.118 -14.545   3.731
  550    HA   GLU  70           HA       GLU  70  -4.713 -15.402   3.163
  551   1HB   GLU  70          1HB       GLU  70  -2.523 -15.610   1.764
  552   2HB   GLU  70          2HB       GLU  70  -2.206 -17.056   2.703
  553   1HG   GLU  70          1HG       GLU  70  -4.527 -17.898   2.024
  554   2HG   GLU  70          2HG       GLU  70  -4.641 -16.524   0.941
  555    H    GLU  71           H        GLU  71  -2.091 -16.662   5.302
  556    HA   GLU  71           HA       GLU  71  -3.603 -18.939   6.027
  557   1HB   GLU  71          1HB       GLU  71  -1.740 -19.556   7.296
  558   2HB   GLU  71          2HB       GLU  71  -1.006 -18.543   6.070
  559   1HG   GLU  71          1HG       GLU  71  -1.305 -16.570   7.719
  560   2HG   GLU  71          2HG       GLU  71  -1.699 -17.768   8.934
  561    H    GLN  72           H        GLN  72  -4.121 -15.722   6.645
  562    HA   GLN  72           HA       GLN  72  -5.066 -16.271   9.348
  563   1HB   GLN  72          1HB       GLN  72  -3.421 -14.442   9.234
  564   2HB   GLN  72          2HB       GLN  72  -4.369 -13.621   8.009
  565   1HG   GLN  72          1HG       GLN  72  -5.273 -12.498   9.787
  566   2HG   GLN  72          2HG       GLN  72  -6.279 -13.923   9.952
  567   1HE2  GLN  72          2HE2      GLN  72  -4.949 -13.314  13.291
  568   2HE2  GLN  72          1HE2      GLN  72  -6.056 -12.619  12.154
  569    H    ILE  73           H        ILE  73  -5.870 -14.608   6.229
  570    HA   ILE  73           HA       ILE  73  -8.577 -14.178   7.012
  571    HB   ILE  73           HB       ILE  73  -7.187 -13.974   4.338
  572   1HG1  ILE  73          1HG1      ILE  73  -7.985 -11.701   6.159
  573   2HG1  ILE  73          2HG1      ILE  73  -6.431 -12.498   6.315
  574   1HG2  ILE  73          2HG2      ILE  73  -9.778 -14.285   4.444
  575   2HG2  ILE  73          3HG2      ILE  73  -9.767 -12.596   5.008
  576   3HG2  ILE  73          1HG2      ILE  73  -9.071 -13.009   3.423
  577   1HD1  ILE  73          2HD1      ILE  73  -7.316 -11.588   3.572
  578   2HD1  ILE  73          3HD1      ILE  73  -6.700 -10.384   4.730
  579   3HD1  ILE  73          1HD1      ILE  73  -5.669 -11.746   4.230
  580    H    THR  74           H        THR  74  -7.098 -16.223   4.390
  581    HA   THR  74           HA       THR  74  -9.407 -17.689   3.892
  582    HB   THR  74           HB       THR  74  -6.917 -17.436   2.779
  583    HG1  THR  74          1HG       THR  74  -8.259 -18.485   1.371
  584   1HG2  THR  74          3HG2      THR  74  -6.286 -19.256   4.719
  585   2HG2  THR  74          1HG2      THR  74  -6.936 -20.356   3.480
  586   3HG2  THR  74          2HG2      THR  74  -5.558 -19.297   3.096
  587    H    ALA  75           H        ALA  75  -7.138 -17.858   6.563
  588    HA   ALA  75           HA       ALA  75  -7.197 -20.397   7.393
  589   1HB   ALA  75          1HB       ALA  75  -6.338 -18.174   8.494
  590   2HB   ALA  75          2HB       ALA  75  -7.899 -18.208   9.348
  591   3HB   ALA  75          3HB       ALA  75  -6.755 -19.559   9.530
  592    H    PHE  76           H        PHE  76  -9.951 -18.147   7.234
  593    HA   PHE  76           HA       PHE  76 -11.643 -19.945   8.722
  594   1HB   PHE  76          1HB       PHE  76 -11.606 -17.187   7.600
  595   2HB   PHE  76          2HB       PHE  76 -13.157 -17.965   7.347
  596    HD1  PHE  76          1HD       PHE  76 -13.437 -19.575   9.799
  597    HD2  PHE  76          2HD       PHE  76 -11.976 -15.626   9.276
  598    HE1  PHE  76          1HE       PHE  76 -14.101 -19.017  12.154
  599    HE2  PHE  76          2HE       PHE  76 -12.641 -15.068  11.632
  600    HZ   PHE  76           HZ       PHE  76 -13.695 -16.771  13.043
  601    H    GLU  77           H        GLU  77 -11.228 -21.812   7.199
  602    HA   GLU  77           HA       GLU  77 -12.029 -21.667   4.548
  603   1HB   GLU  77          1HB       GLU  77 -12.372 -24.306   5.110
  604   2HB   GLU  77          2HB       GLU  77 -10.803 -23.576   4.841
  605   1HG   GLU  77          1HG       GLU  77 -10.290 -23.486   7.149
  606   2HG   GLU  77          2HG       GLU  77 -11.973 -23.540   7.632
  607    H    ASP  78           H        ASP  78 -13.862 -21.502   7.437
  608    HA   ASP  78           HA       ASP  78 -16.157 -22.826   6.385
  609   1HB   ASP  78          1HB       ASP  78 -15.274 -21.681   8.931
  610   2HB   ASP  78          2HB       ASP  78 -16.906 -21.156   8.564
  611    H    TYR  79           H        TYR  79 -14.671 -20.112   5.406
  612    HA   TYR  79           HA       TYR  79 -17.174 -18.793   4.721
  613   1HB   TYR  79          1HB       TYR  79 -14.705 -17.615   6.134
  614   2HB   TYR  79          2HB       TYR  79 -15.899 -16.595   5.356
  615    HD1  TYR  79          1HD       TYR  79 -18.179 -16.384   6.294
  616    HD2  TYR  79          2HD       TYR  79 -15.164 -18.698   8.258
  617    HE1  TYR  79          1HE       TYR  79 -19.556 -16.379   8.431
  618    HE2  TYR  79          2HE       TYR  79 -16.551 -18.685  10.388
  619    HH   TYR  79           HH       TYR  79 -19.776 -17.831  10.432
  620    H    VAL  80           H        VAL  80 -13.573 -18.941   4.426
  621    HA   VAL  80           HA       VAL  80 -13.703 -17.659   1.843
  622    HB   VAL  80           HB       VAL  80 -11.476 -18.777   3.548
  623   1HG1  VAL  80          2HG1      VAL  80 -11.452 -17.803   0.712
  624   2HG1  VAL  80          3HG1      VAL  80 -10.074 -17.411   1.770
  625   3HG1  VAL  80          1HG1      VAL  80 -10.520 -19.110   1.480
  626   1HG2  VAL  80          2HG2      VAL  80 -12.518 -16.016   2.931
  627   2HG2  VAL  80          3HG2      VAL  80 -12.160 -16.763   4.507
  628   3HG2  VAL  80          1HG2      VAL  80 -10.829 -16.263   3.436
  629    H    GLN  81           H        GLN  81 -13.765 -18.676  -0.113
  630    HA   GLN  81           HA       GLN  81 -14.047 -21.524  -0.030
  631   1HB   GLN  81          1HB       GLN  81 -15.584 -20.092  -1.376
  632   2HB   GLN  81          2HB       GLN  81 -14.236 -19.569  -2.366
  633   1HG   GLN  81          1HG       GLN  81 -13.922 -22.278  -2.575
  634   2HG   GLN  81          2HG       GLN  81 -15.655 -22.209  -2.326
  635   1HE2  GLN  81          2HE2      GLN  81 -13.882 -20.667  -5.726
  636   2HE2  GLN  81          1HE2      GLN  81 -12.984 -21.005  -4.284
  637    H    SER  82           H        SER  82 -11.728 -19.052  -1.169
  638    HA   SER  82           HA       SER  82  -9.559 -20.635  -1.012
  639   1HB   SER  82          1HB       SER  82 -11.006 -21.000  -3.614
  640   2HB   SER  82          2HB       SER  82  -9.263 -20.837  -3.704
  641    HG   SER  82           HG       SER  82  -9.641 -22.538  -1.704
  642    H    MET  83           H        MET  83  -8.085 -19.006  -0.720
  643    HA   MET  83           HA       MET  83  -8.580 -16.461  -1.849
  644   1HB   MET  83          1HB       MET  83  -7.550 -16.735   0.392
  645   2HB   MET  83          2HB       MET  83  -6.225 -17.659  -0.289
  646   1HG   MET  83          1HG       MET  83  -6.740 -14.858  -1.321
  647   2HG   MET  83          2HG       MET  83  -5.930 -15.060   0.220
  648   1HE   MET  83          1HE       MET  83  -3.884 -14.609   0.278
  649   2HE   MET  83          2HE       MET  83  -2.515 -15.218  -0.685
  650   3HE   MET  83          3HE       MET  83  -3.473 -13.838  -1.273
  651    H    ASP  84           H        ASP  84  -7.086 -15.238  -3.252
  652    HA   ASP  84           HA       ASP  84  -5.194 -16.862  -4.695
  653   1HB   ASP  84          1HB       ASP  84  -7.715 -15.668  -5.838
  654   2HB   ASP  84          2HB       ASP  84  -6.274 -15.601  -6.832
  655    H    VAL  85           H        VAL  85  -4.450 -15.065  -6.690
  656    HA   VAL  85           HA       VAL  85  -3.872 -12.616  -5.169
  657    HB   VAL  85           HB       VAL  85  -2.232 -14.105  -7.227
  658   1HG1  VAL  85          2HG1      VAL  85  -2.049 -11.332  -6.170
  659   2HG1  VAL  85          3HG1      VAL  85  -0.528 -12.250  -6.264
  660   3HG1  VAL  85          1HG1      VAL  85  -1.513 -12.007  -7.727
  661   1HG2  VAL  85          2HG2      VAL  85  -2.013 -13.749  -4.235
  662   2HG2  VAL  85          3HG2      VAL  85  -1.992 -15.251  -5.192
  663   3HG2  VAL  85          1HG2      VAL  85  -0.596 -14.148  -5.235
  664    H    ALA  86           H        ALA  86  -4.548 -10.703  -6.027
  665    HA   ALA  86           HA       ALA  86  -5.967 -10.850  -8.551
  666   1HB   ALA  86          2HB       ALA  86  -6.553  -9.647  -6.197
  667   2HB   ALA  86          3HB       ALA  86  -5.727  -8.301  -7.017
  668   3HB   ALA  86          1HB       ALA  86  -7.155  -9.057  -7.765
  669    H    ALA  87           H        ALA  87  -2.974  -9.572  -7.115
  670    HA   ALA  87           HA       ALA  87  -1.707  -9.301  -9.562
  671   1HB   ALA  87          3HB       ALA  87  -3.548  -7.309  -9.395
  672   2HB   ALA  87          1HB       ALA  87  -2.170  -6.524  -8.589
  673   3HB   ALA  87          2HB       ALA  87  -1.995  -7.141 -10.249
  674    H    PHE  88           H        PHE  88   0.417  -7.940  -9.249
  675    HA   PHE  88           HA       PHE  88   1.152  -7.714  -6.456
  676   1HB   PHE  88          1HB       PHE  88   1.698 -10.006  -8.137
  677   2HB   PHE  88          2HB       PHE  88   3.213  -9.137  -7.989
  678    HD1  PHE  88          1HD       PHE  88   0.427 -10.419  -5.862
  679    HD2  PHE  88          2HD       PHE  88   4.575  -9.577  -6.172
  680    HE1  PHE  88          1HE       PHE  88   0.807 -11.464  -3.612
  681    HE2  PHE  88          2HE       PHE  88   4.955 -10.622  -3.923
  682    HZ   PHE  88           HZ       PHE  88   3.067 -11.552  -2.669
  683    H    ASN  89           H        ASN  89   1.537  -5.495  -6.729
  684    HA   ASN  89           HA       ASN  89   3.855  -4.945  -8.379
  685   1HB   ASN  89          1HB       ASN  89   1.116  -3.724  -8.611
  686   2HB   ASN  89          2HB       ASN  89   2.459  -2.600  -8.694
  687   1HD2  ASN  89          2HD2      ASN  89   2.549  -3.192 -12.124
  688   2HD2  ASN  89          1HD2      ASN  89   2.224  -2.102 -10.817
  689    H    LYS  90           H        LYS  90   4.291  -2.294  -7.841
  690    HA   LYS  90           HA       LYS  90   4.551  -2.284  -4.949
  691   1HB   LYS  90          1HB       LYS  90   5.940  -0.151  -5.618
  692   2HB   LYS  90          2HB       LYS  90   6.599  -1.760  -5.823
  693   1HG   LYS  90          1HG       LYS  90   6.244  -1.756  -8.170
  694   2HG   LYS  90          2HG       LYS  90   5.023  -0.503  -8.086
  695   1HD   LYS  90          1HD       LYS  90   6.618   1.226  -7.795
  696   2HD   LYS  90          2HD       LYS  90   7.851   0.129  -7.204
  697   1HE   LYS  90          1HE       LYS  90   8.684   0.268  -9.334
  698   2HE   LYS  90          2HE       LYS  90   7.446  -0.911  -9.717
  699   1HZ   LYS  90          1HZ       LYS  90   6.093   1.377  -9.856
  700   2HZ   LYS  90          2HZ       LYS  90   7.560   1.866 -10.378
  701   3HZ   LYS  90          3HZ       LYS  90   6.788   0.645 -11.139
  702    H    ILE  91           H        ILE  91   3.852  -0.593  -3.646
  703    HA   ILE  91           HA       ILE  91   1.359   0.639  -4.568
  704    HB   ILE  91           HB       ILE  91   1.401  -0.384  -2.365
  705   1HG1  ILE  91          1HG1      ILE  91   1.237   2.018  -1.040
  706   2HG1  ILE  91          2HG1      ILE  91   1.049   2.539  -2.731
  707   1HG2  ILE  91          1HG2      ILE  91   4.037   0.479  -2.299
  708   2HG2  ILE  91          2HG2      ILE  91   3.241   1.568  -1.137
  709   3HG2  ILE  91          3HG2      ILE  91   3.140  -0.196  -0.917
  710   1HD1  ILE  91          1HD1      ILE  91  -0.743   0.848  -3.043
  711   2HD1  ILE  91          2HD1      ILE  91  -0.566   0.359  -1.341
  712   3HD1  ILE  91          3HD1      ILE  91  -1.146   1.993  -1.741
   
  No H/Q in entry =         712
  Start of MODEL    5
    1   1H    MET   1          3HN       MET   1   8.905  -1.544   9.294
    2   2H    MET   1           H        MET   1   9.718  -2.524  10.353
    3   3H    MET   1          2HN       MET   1   8.230  -1.922  10.759
    4    HA   MET   1           HA       MET   1   8.968   0.191  11.063
    5   1HB   MET   1          1HB       MET   1  10.780  -1.973  12.103
    6   2HB   MET   1          2HB       MET   1  11.204  -0.270  12.402
    7   1HG   MET   1          1HG       MET   1   8.390  -1.203  12.904
    8   2HG   MET   1          2HG       MET   1   9.650  -1.601  14.084
    9   1HE   MET   1          2HE       MET   1   7.770   0.762  12.101
   10   2HE   MET   1          3HE       MET   1   6.950   1.471  13.513
   11   3HE   MET   1          1HE       MET   1   8.181   2.410  12.634
   12    H    LEU   2           H        LEU   2   9.738  -0.666   8.247
   13    HA   LEU   2           HA       LEU   2  12.077   1.084   8.089
   14   1HB   LEU   2          1HB       LEU   2  12.153  -1.683   7.674
   15   2HB   LEU   2          2HB       LEU   2  12.126  -0.987   6.066
   16    HG   LEU   2           HG       LEU   2  14.010   0.567   7.391
   17   1HD1  LEU   2          2HD1      LEU   2  14.002  -0.946   9.306
   18   2HD1  LEU   2          3HD1      LEU   2  14.371  -2.321   8.237
   19   3HD1  LEU   2          1HD1      LEU   2  15.558  -1.011   8.443
   20   1HD2  LEU   2          1HD2      LEU   2  14.136  -0.223   5.083
   21   2HD2  LEU   2          2HD2      LEU   2  15.636  -0.585   5.970
   22   3HD2  LEU   2          3HD2      LEU   2  14.453  -1.877   5.655
   23    H    VAL   3           H        VAL   3  12.380   1.486   5.479
   24    HA   VAL   3           HA       VAL   3   9.755   2.502   4.698
   25    HB   VAL   3           HB       VAL   3  12.007   3.842   4.957
   26   1HG1  VAL   3          2HG1      VAL   3  13.190   2.279   3.344
   27   2HG1  VAL   3          3HG1      VAL   3  12.216   3.016   2.048
   28   3HG1  VAL   3          1HG1      VAL   3  13.343   4.018   2.994
   29   1HG2  VAL   3          3HG2      VAL   3   9.574   4.231   3.592
   30   2HG2  VAL   3          1HG2      VAL   3  10.738   5.472   4.117
   31   3HG2  VAL   3          2HG2      VAL   3  10.848   4.785   2.479
   32    H    ALA   4           H        ALA   4   9.713   2.666   2.062
   33    HA   ALA   4           HA       ALA   4   9.715   1.596   0.100
   34   1HB   ALA   4          2HB       ALA   4  12.025   0.687   1.014
   35   2HB   ALA   4          3HB       ALA   4  11.113  -0.828   1.212
   36   3HB   ALA   4          1HB       ALA   4  11.252  -0.077  -0.396
   37    H    LYS   5           H        LYS   5   7.409   1.537   0.490
   38    HA   LYS   5           HA       LYS   5   6.457  -1.044   1.500
   39   1HB   LYS   5          1HB       LYS   5   5.166   1.684   1.314
   40   2HB   LYS   5          2HB       LYS   5   4.238   0.228   1.608
   41   1HG   LYS   5          1HG       LYS   5   6.652   0.999   3.304
   42   2HG   LYS   5          2HG       LYS   5   5.025   1.518   3.694
   43   1HD   LYS   5          1HD       LYS   5   4.905  -1.308   3.174
   44   2HD   LYS   5          2HD       LYS   5   6.279  -1.038   4.227
   45   1HE   LYS   5          1HE       LYS   5   4.172   0.620   5.230
   46   2HE   LYS   5          2HE       LYS   5   3.441  -0.932   4.870
   47   1HZ   LYS   5          1HZ       LYS   5   5.583  -1.775   6.061
   48   2HZ   LYS   5          2HZ       LYS   5   5.536  -0.303   6.766
   49   3HZ   LYS   5          3HZ       LYS   5   4.269  -1.321   6.918
   50    H    SER   6           H        SER   6   4.284  -1.720   0.340
   51    HA   SER   6           HA       SER   6   4.313  -1.024  -2.441
   52   1HB   SER   6          1HB       SER   6   5.880  -2.787  -2.646
   53   2HB   SER   6          2HB       SER   6   5.107  -3.755  -1.407
   54    HG   SER   6           HG       SER   6   3.536  -4.418  -2.816
   55    H    SER   7           H        SER   7   2.433  -2.334  -3.594
   56    HA   SER   7           HA       SER   7   0.284  -2.525  -1.634
   57   1HB   SER   7          1HB       SER   7  -0.588  -0.892  -2.968
   58   2HB   SER   7          2HB       SER   7   0.499  -1.255  -4.294
   59    HG   SER   7           HG       SER   7  -1.471  -1.856  -5.093
   60    H    ILE   8           H        ILE   8  -1.026  -4.389  -1.616
   61    HA   ILE   8           HA       ILE   8  -0.565  -6.344  -3.732
   62    HB   ILE   8           HB       ILE   8  -0.404  -7.059  -0.805
   63   1HG1  ILE   8          1HG1      ILE   8   1.500  -5.592  -1.636
   64   2HG1  ILE   8          2HG1      ILE   8   1.939  -7.132  -0.926
   65   1HG2  ILE   8          3HG2      ILE   8  -0.426  -8.572  -3.353
   66   2HG2  ILE   8          1HG2      ILE   8   0.767  -9.090  -2.137
   67   3HG2  ILE   8          2HG2      ILE   8  -0.965  -9.043  -1.724
   68   1HD1  ILE   8          3HD1      ILE   8   1.618  -6.676  -3.928
   69   2HD1  ILE   8          1HD1      ILE   8   3.173  -6.627  -3.064
   70   3HD1  ILE   8          2HD1      ILE   8   2.242  -8.143  -3.135
   71    H    LEU   9           H        LEU   9  -2.562  -6.530  -4.606
   72    HA   LEU   9           HA       LEU   9  -4.854  -6.299  -2.831
   73   1HB   LEU   9          1HB       LEU   9  -4.611  -5.024  -5.000
   74   2HB   LEU   9          2HB       LEU   9  -4.808  -6.551  -5.837
   75    HG   LEU   9           HG       LEU   9  -7.023  -6.751  -4.477
   76   1HD1  LEU   9          3HD1      LEU   9  -6.311  -4.675  -3.092
   77   2HD1  LEU   9          1HD1      LEU   9  -6.914  -3.747  -4.486
   78   3HD1  LEU   9          2HD1      LEU   9  -8.006  -4.842  -3.606
   79   1HD2  LEU   9          1HD2      LEU   9  -6.646  -6.325  -6.982
   80   2HD2  LEU   9          2HD2      LEU   9  -8.223  -5.881  -6.284
   81   3HD2  LEU   9          3HD2      LEU   9  -7.009  -4.622  -6.611
   82    H    LEU  10           H        LEU  10  -6.285  -7.970  -2.389
   83    HA   LEU  10           HA       LEU  10  -5.514 -10.576  -3.506
   84   1HB   LEU  10          1HB       LEU  10  -5.075  -9.894  -0.960
   85   2HB   LEU  10          2HB       LEU  10  -6.745 -10.404  -0.805
   86    HG   LEU  10           HG       LEU  10  -6.021 -12.580  -1.969
   87   1HD1  LEU  10          2HD1      LEU  10  -3.772 -11.461  -2.634
   88   2HD1  LEU  10          3HD1      LEU  10  -3.262 -11.906  -0.988
   89   3HD1  LEU  10          1HD1      LEU  10  -3.788 -13.168  -2.128
   90   1HD2  LEU  10          1HD2      LEU  10  -5.048 -11.881   0.813
   91   2HD2  LEU  10          2HD2      LEU  10  -6.639 -12.535   0.355
   92   3HD2  LEU  10          3HD2      LEU  10  -5.178 -13.535   0.167
   93    H    ASP  11           H        ASP  11  -7.360 -12.185  -3.491
   94    HA   ASP  11           HA       ASP  11  -9.929 -10.859  -3.571
   95   1HB   ASP  11          1HB       ASP  11  -8.717 -11.074  -5.913
   96   2HB   ASP  11          2HB       ASP  11  -9.132 -12.772  -5.788
   97    H    VAL  12           H        VAL  12 -10.976 -12.108  -1.996
   98    HA   VAL  12           HA       VAL  12 -10.443 -14.986  -1.991
   99    HB   VAL  12           HB       VAL  12 -11.969 -13.491   0.113
  100   1HG1  VAL  12          1HG1      VAL  12 -11.092 -16.156  -0.243
  101   2HG1  VAL  12          2HG1      VAL  12 -10.085 -15.464   1.050
  102   3HG1  VAL  12          3HG1      VAL  12 -11.859 -15.439   1.194
  103   1HG2  VAL  12          3HG2      VAL  12  -8.948 -13.574  -0.170
  104   2HG2  VAL  12          1HG2      VAL  12  -9.991 -12.132  -0.182
  105   3HG2  VAL  12          2HG2      VAL  12  -9.816 -13.092   1.307
  106    H    LYS  13           H        LYS  13 -12.050 -16.483  -2.407
  107    HA   LYS  13           HA       LYS  13 -14.537 -15.332  -3.418
  108   1HB   LYS  13          1HB       LYS  13 -12.966 -16.897  -4.771
  109   2HB   LYS  13          2HB       LYS  13 -13.632 -18.185  -3.788
  110   1HG   LYS  13          1HG       LYS  13 -15.712 -16.368  -4.854
  111   2HG   LYS  13          2HG       LYS  13 -14.782 -17.148  -6.118
  112   1HD   LYS  13          1HD       LYS  13 -15.195 -19.374  -4.913
  113   2HD   LYS  13          2HD       LYS  13 -16.300 -18.521  -3.854
  114   1HE   LYS  13          1HE       LYS  13 -17.895 -19.003  -5.415
  115   2HE   LYS  13          2HE       LYS  13 -17.194 -17.693  -6.344
  116   1HZ   LYS  13          3HZ       LYS  13 -15.605 -19.828  -6.863
  117   2HZ   LYS  13          1HZ       LYS  13 -17.107 -20.468  -6.848
  118   3HZ   LYS  13          2HZ       LYS  13 -16.758 -19.226  -7.849
  119    HA   PRO  14           HA       PRO  14 -16.434 -16.782   0.222
  120   1HB   PRO  14          1HB       PRO  14 -18.956 -15.865  -0.299
  121   2HB   PRO  14          2HB       PRO  14 -17.704 -14.870   0.417
  122   1HG   PRO  14          1HG       PRO  14 -18.749 -14.828  -2.347
  123   2HG   PRO  14          2HG       PRO  14 -17.831 -13.598  -1.502
  124   1HD   PRO  14          1HD       PRO  14 -16.843 -15.414  -3.490
  125   2HD   PRO  14          2HD       PRO  14 -15.902 -14.264  -2.561
  126    H    TRP  15           H        TRP  15 -17.360 -18.636   0.952
  127    HA   TRP  15           HA       TRP  15 -17.594 -20.742  -0.706
  128   1HB   TRP  15          1HB       TRP  15 -18.484 -20.066   1.976
  129   2HB   TRP  15          2HB       TRP  15 -19.582 -21.186   1.194
  130    HD1  TRP  15           HD       TRP  15 -17.059 -21.625   3.538
  131    HE1  TRP  15          1HE       TRP  15 -15.561 -23.786   3.316
  132    HE3  TRP  15          3HE       TRP  15 -18.225 -22.572  -1.320
  133    HZ2  TRP  15          2HZ       TRP  15 -15.044 -25.607   1.181
  134    HZ3  TRP  15          3HZ       TRP  15 -17.181 -24.561  -2.399
  135    HH2  TRP  15           HH       TRP  15 -15.639 -26.055  -1.229
  136    H    ASP  16           H        ASP  16 -19.995 -18.161  -0.033
  137    HA   ASP  16           HA       ASP  16 -21.210 -18.450  -2.478
  138   1HB   ASP  16          1HB       ASP  16 -22.171 -20.322  -0.469
  139   2HB   ASP  16          2HB       ASP  16 -23.451 -19.185  -0.846
  140    H    ASP  17           H        ASP  17 -23.766 -17.443  -2.048
  141    HA   ASP  17           HA       ASP  17 -23.273 -14.871  -1.215
  142   1HB   ASP  17          1HB       ASP  17 -25.458 -14.470  -1.861
  143   2HB   ASP  17          2HB       ASP  17 -25.244 -16.038  -2.615
  144    H    GLU  18           H        GLU  18 -23.854 -17.784   0.572
  145    HA   GLU  18           HA       GLU  18 -25.204 -16.603   2.758
  146   1HB   GLU  18          1HB       GLU  18 -24.896 -18.775   3.842
  147   2HB   GLU  18          2HB       GLU  18 -25.387 -19.021   2.177
  148   1HG   GLU  18          1HG       GLU  18 -23.072 -19.486   1.500
  149   2HG   GLU  18          2HG       GLU  18 -22.473 -19.056   3.089
  150    H    THR  19           H        THR  19 -21.829 -17.102   1.777
  151    HA   THR  19           HA       THR  19 -20.645 -16.786   4.310
  152    HB   THR  19           HB       THR  19 -19.796 -16.540   1.404
  153    HG1  THR  19          1HG       THR  19 -19.847 -18.646   2.289
  154   1HG2  THR  19          3HG2      THR  19 -18.222 -15.784   3.901
  155   2HG2  THR  19          1HG2      THR  19 -17.403 -16.492   2.489
  156   3HG2  THR  19          2HG2      THR  19 -18.271 -14.945   2.333
  157    H    ASP  20           H        ASP  20 -20.986 -15.128   5.654
  158    HA   ASP  20           HA       ASP  20 -22.036 -12.757   5.076
  159   1HB   ASP  20          1HB       ASP  20 -20.450 -13.896   7.222
  160   2HB   ASP  20          2HB       ASP  20 -19.948 -12.234   6.984
  161    H    MET  21           H        MET  21 -21.063 -10.533   4.805
  162    HA   MET  21           HA       MET  21 -18.541 -10.714   3.352
  163   1HB   MET  21          1HB       MET  21 -21.004  -8.928   3.099
  164   2HB   MET  21          2HB       MET  21 -19.475  -8.414   2.413
  165   1HG   MET  21          1HG       MET  21 -19.884 -11.156   1.625
  166   2HG   MET  21          2HG       MET  21 -21.384 -10.299   1.328
  167   1HE   MET  21          2HE       MET  21 -18.407 -11.474  -0.013
  168   2HE   MET  21          3HE       MET  21 -19.685 -11.418  -1.251
  169   3HE   MET  21          1HE       MET  21 -18.160 -10.538  -1.507
  170    H    ALA  22           H        ALA  22 -20.421  -8.963   5.845
  171    HA   ALA  22           HA       ALA  22 -18.654  -6.845   6.239
  172   1HB   ALA  22          1HB       ALA  22 -21.088  -7.750   7.270
  173   2HB   ALA  22          2HB       ALA  22 -19.985  -7.804   8.666
  174   3HB   ALA  22          3HB       ALA  22 -20.211  -6.283   7.769
  175    H    LYS  23           H        LYS  23 -19.073  -9.716   8.430
  176    HA   LYS  23           HA       LYS  23 -16.775  -9.366   9.852
  177   1HB   LYS  23          1HB       LYS  23 -18.476 -11.741   9.176
  178   2HB   LYS  23          2HB       LYS  23 -16.956 -12.003  10.008
  179   1HG   LYS  23          1HG       LYS  23 -18.311  -9.757  11.246
  180   2HG   LYS  23          2HG       LYS  23 -19.441 -11.090  11.119
  181   1HD   LYS  23          1HD       LYS  23 -18.068 -12.548  12.411
  182   2HD   LYS  23          2HD       LYS  23 -16.629 -11.583  12.150
  183   1HE   LYS  23          1HE       LYS  23 -18.787 -10.051  13.470
  184   2HE   LYS  23          2HE       LYS  23 -18.307 -11.461  14.393
  185   1HZ   LYS  23          1HZ       LYS  23 -16.336  -9.593  13.294
  186   2HZ   LYS  23          2HZ       LYS  23 -17.007  -9.378  14.767
  187   3HZ   LYS  23          3HZ       LYS  23 -16.116 -10.712  14.464
  188    H    LEU  24           H        LEU  24 -17.157 -11.596   7.002
  189    HA   LEU  24           HA       LEU  24 -14.615 -12.413   6.728
  190   1HB   LEU  24          1HB       LEU  24 -16.893 -12.567   5.257
  191   2HB   LEU  24          2HB       LEU  24 -15.898 -11.581   4.204
  192    HG   LEU  24           HG       LEU  24 -15.160 -14.315   5.285
  193   1HD1  LEU  24          2HD1      LEU  24 -16.936 -13.730   3.265
  194   2HD1  LEU  24          3HD1      LEU  24 -15.409 -13.983   2.386
  195   3HD1  LEU  24          1HD1      LEU  24 -16.039 -15.255   3.460
  196   1HD2  LEU  24          3HD2      LEU  24 -13.569 -12.210   4.017
  197   2HD2  LEU  24          1HD2      LEU  24 -13.058 -13.662   4.909
  198   3HD2  LEU  24          2HD2      LEU  24 -13.468 -13.779   3.181
  199    H    GLU  25           H        GLU  25 -15.961  -9.243   5.642
  200    HA   GLU  25           HA       GLU  25 -13.516  -8.424   4.527
  201   1HB   GLU  25          1HB       GLU  25 -15.722  -7.497   3.848
  202   2HB   GLU  25          2HB       GLU  25 -15.922  -6.782   5.435
  203   1HG   GLU  25          1HG       GLU  25 -13.602  -5.623   4.945
  204   2HG   GLU  25          2HG       GLU  25 -13.926  -6.038   3.273
  205    H    GLU  26           H        GLU  26 -15.292  -7.312   7.509
  206    HA   GLU  26           HA       GLU  26 -13.411  -5.689   8.510
  207   1HB   GLU  26          1HB       GLU  26 -15.401  -7.540   9.843
  208   2HB   GLU  26          2HB       GLU  26 -14.322  -6.573  10.828
  209   1HG   GLU  26          1HG       GLU  26 -15.860  -5.233   8.591
  210   2HG   GLU  26          2HG       GLU  26 -16.695  -5.619  10.082
  211    H    CYS  27           H        CYS  27 -13.661  -9.265   9.110
  212    HA   CYS  27           HA       CYS  27 -11.629  -9.646  10.803
  213   1HB   CYS  27          1HB       CYS  27 -13.009 -11.252   8.825
  214   2HB   CYS  27          2HB       CYS  27 -11.320 -11.714   8.902
  215    HG   CYS  27           HG       CYS  27 -13.593 -11.496  11.288
  216    H    VAL  28           H        VAL  28 -11.349  -9.530   7.171
  217    HA   VAL  28           HA       VAL  28  -8.656  -9.799   6.933
  218    HB   VAL  28           HB       VAL  28 -10.481  -7.965   5.367
  219   1HG1  VAL  28          2HG1      VAL  28  -7.656  -8.679   5.081
  220   2HG1  VAL  28          3HG1      VAL  28  -8.613  -9.046   3.625
  221   3HG1  VAL  28          1HG1      VAL  28  -8.600  -7.395   4.289
  222   1HG2  VAL  28          3HG2      VAL  28 -10.540 -10.795   5.693
  223   2HG2  VAL  28          1HG2      VAL  28 -11.510  -9.785   4.595
  224   3HG2  VAL  28          2HG2      VAL  28  -9.953 -10.453   4.048
  225    H    ARG  29           H        ARG  29 -10.537  -6.845   7.784
  226    HA   ARG  29           HA       ARG  29  -8.347  -5.144   7.696
  227   1HB   ARG  29          1HB       ARG  29 -11.154  -5.042   8.504
  228   2HB   ARG  29          2HB       ARG  29 -10.175  -4.163   9.664
  229   1HG   ARG  29          1HG       ARG  29  -9.050  -3.219   7.376
  230   2HG   ARG  29          2HG       ARG  29 -10.642  -3.596   6.750
  231   1HD   ARG  29          1HD       ARG  29 -11.721  -2.153   8.399
  232   2HD   ARG  29          2HD       ARG  29 -10.223  -1.942   9.283
  233    HE   ARG  29           HE       ARG  29  -9.595  -0.288   7.758
  234   1HH1  ARG  29          2HH2      ARG  29 -12.103  -2.281   6.302
  235   2HH1  ARG  29          1HH2      ARG  29 -12.257  -1.284   4.893
  236   1HH2  ARG  29          2HH1      ARG  29  -9.798   1.028   5.900
  237   2HH2  ARG  29          1HH1      ARG  29 -10.937   0.610   4.664
  238    H    SER  30           H        SER  30  -9.985  -6.887  10.433
  239    HA   SER  30           HA       SER  30  -8.711  -5.975  12.548
  240   1HB   SER  30          1HB       SER  30  -9.755  -7.745  13.482
  241   2HB   SER  30          2HB       SER  30 -10.095  -8.354  11.875
  242    HG   SER  30           HG       SER  30  -8.715  -9.940  12.231
  243    H    ILE  31           H        ILE  31  -7.394  -8.600  10.396
  244    HA   ILE  31           HA       ILE  31  -5.064  -9.150  11.594
  245    HB   ILE  31           HB       ILE  31  -5.839  -8.893   8.716
  246   1HG1  ILE  31          1HG1      ILE  31  -4.862 -11.463   9.599
  247   2HG1  ILE  31          2HG1      ILE  31  -6.076 -10.875  10.719
  248   1HG2  ILE  31          3HG2      ILE  31  -3.094  -9.016   9.767
  249   2HG2  ILE  31          1HG2      ILE  31  -3.492 -10.283   8.581
  250   3HG2  ILE  31          2HG2      ILE  31  -3.695  -8.568   8.152
  251   1HD1  ILE  31          1HD1      ILE  31  -6.499 -10.809   7.704
  252   2HD1  ILE  31          2HD1      ILE  31  -6.950 -12.210   8.706
  253   3HD1  ILE  31          3HD1      ILE  31  -7.723 -10.631   8.984
  254    H    GLN  32           H        GLN  32  -2.989  -8.277  11.818
  255    HA   GLN  32           HA       GLN  32  -2.454  -5.759  10.572
  256   1HB   GLN  32          1HB       GLN  32  -3.749  -5.451  12.879
  257   2HB   GLN  32          2HB       GLN  32  -2.177  -5.784  13.579
  258   1HG   GLN  32          1HG       GLN  32  -1.702  -3.584  13.265
  259   2HG   GLN  32          2HG       GLN  32  -1.567  -3.950  11.557
  260   1HE2  GLN  32          2HE2      GLN  32  -4.222  -1.964  10.618
  261   2HE2  GLN  32          1HE2      GLN  32  -2.723  -2.757  10.265
  262    H    ALA  33           H        ALA  33  -0.168  -5.215  10.626
  263    HA   ALA  33           HA       ALA  33   1.621  -6.921  12.078
  264   1HB   ALA  33          3HB       ALA  33   0.749  -7.769   9.516
  265   2HB   ALA  33          1HB       ALA  33   2.396  -7.129   9.297
  266   3HB   ALA  33          2HB       ALA  33   2.094  -8.425  10.479
  267    H    ASP  34           H        ASP  34   3.837  -6.118  11.964
  268    HA   ASP  34           HA       ASP  34   3.986  -3.407  11.983
  269   1HB   ASP  34          1HB       ASP  34   5.660  -5.383  12.699
  270   2HB   ASP  34          2HB       ASP  34   6.403  -5.020  11.154
  271    H    GLY  35           H        GLY  35   5.176  -5.736   9.436
  272   1HA   GLY  35          1HA       GLY  35   5.646  -3.575   7.557
  273   2HA   GLY  35          2HA       GLY  35   5.966  -5.283   7.334
  274    H    LEU  36           H        LEU  36   2.817  -4.561   8.651
  275    HA   LEU  36           HA       LEU  36   1.661  -4.867   5.966
  276   1HB   LEU  36          1HB       LEU  36   1.548  -6.901   7.418
  277   2HB   LEU  36          2HB       LEU  36   0.568  -5.988   8.548
  278    HG   LEU  36           HG       LEU  36  -0.532  -5.814   5.866
  279   1HD1  LEU  36          3HD1      LEU  36   0.062  -8.567   6.954
  280   2HD1  LEU  36          1HD1      LEU  36  -1.294  -8.251   5.845
  281   3HD1  LEU  36          2HD1      LEU  36   0.376  -7.913   5.327
  282   1HD2  LEU  36          2HD2      LEU  36  -1.560  -5.431   8.226
  283   2HD2  LEU  36          3HD2      LEU  36  -2.552  -6.162   6.940
  284   3HD2  LEU  36          1HD2      LEU  36  -1.829  -7.190   8.202
  285    H    VAL  37           H        VAL  37   0.327  -3.253   5.331
  286    HA   VAL  37           HA       VAL  37  -0.843  -1.597   7.451
  287    HB   VAL  37           HB       VAL  37   0.707  -0.753   5.011
  288   1HG1  VAL  37          3HG1      VAL  37  -1.694   0.472   6.032
  289   2HG1  VAL  37          1HG1      VAL  37  -0.306   1.554   6.301
  290   3HG1  VAL  37          2HG1      VAL  37  -0.671   0.965   4.661
  291   1HG2  VAL  37          3HG2      VAL  37   0.895  -0.195   7.980
  292   2HG2  VAL  37          1HG2      VAL  37   2.108  -0.935   6.908
  293   3HG2  VAL  37          2HG2      VAL  37   1.735   0.800   6.765
  294    H    TRP  38           H        TRP  38  -3.012  -1.814   7.333
  295    HA   TRP  38           HA       TRP  38  -4.221  -2.802   4.936
  296   1HB   TRP  38          1HB       TRP  38  -5.149  -2.092   7.691
  297   2HB   TRP  38          2HB       TRP  38  -6.330  -2.249   6.406
  298    HD1  TRP  38           HD       TRP  38  -4.946  -4.330   9.005
  299    HE1  TRP  38          1HE       TRP  38  -5.071  -6.926   8.544
  300    HE3  TRP  38          3HE       TRP  38  -5.853  -3.932   4.017
  301    HZ2  TRP  38          2HZ       TRP  38  -5.525  -8.485   6.198
  302    HZ3  TRP  38          3HZ       TRP  38  -6.124  -6.039   2.714
  303    HH2  TRP  38           HH       TRP  38  -5.973  -8.260   3.726
  304    H    GLY  39           H        GLY  39  -5.625  -1.636   3.524
  305   1HA   GLY  39          1HA       GLY  39  -5.460   1.305   3.811
  306   2HA   GLY  39          2HA       GLY  39  -5.352   0.457   2.281
  307    H    SER  40           H        SER  40  -7.228  -0.203   1.198
  308    HA   SER  40           HA       SER  40  -9.703  -0.066   2.670
  309   1HB   SER  40          1HB       SER  40  -8.839   2.079   1.014
  310   2HB   SER  40          2HB       SER  40 -10.062   1.236   0.086
  311    HG   SER  40           HG       SER  40 -10.885   2.946   1.546
  312    H    SER  41           H        SER  41 -11.148  -1.647   1.963
  313    HA   SER  41           HA       SER  41 -10.160  -3.331  -0.143
  314   1HB   SER  41          1HB       SER  41 -11.894  -4.913   0.612
  315   2HB   SER  41          2HB       SER  41 -10.943  -4.344   1.971
  316    HG   SER  41           HG       SER  41 -13.323  -2.908   1.303
  317    H    LYS  42           H        LYS  42 -12.023  -4.321  -1.637
  318    HA   LYS  42           HA       LYS  42 -13.905  -2.206  -2.370
  319   1HB   LYS  42          1HB       LYS  42 -13.227  -3.025  -4.827
  320   2HB   LYS  42          2HB       LYS  42 -12.466  -1.663  -4.028
  321   1HG   LYS  42          1HG       LYS  42 -10.702  -3.274  -3.128
  322   2HG   LYS  42          2HG       LYS  42 -11.418  -4.530  -4.119
  323   1HD   LYS  42          1HD       LYS  42 -10.277  -1.893  -5.162
  324   2HD   LYS  42          2HD       LYS  42  -9.475  -3.449  -5.254
  325   1HE   LYS  42          1HE       LYS  42 -11.269  -4.343  -6.695
  326   2HE   LYS  42          2HE       LYS  42 -12.196  -2.867  -6.517
  327   1HZ   LYS  42          3HZ       LYS  42  -9.513  -3.007  -7.711
  328   2HZ   LYS  42          1HZ       LYS  42 -10.909  -2.933  -8.557
  329   3HZ   LYS  42          2HZ       LYS  42 -10.456  -1.676  -7.618
  330    H    LEU  43           H        LEU  43 -15.740  -3.022  -3.669
  331    HA   LEU  43           HA       LEU  43 -16.118  -5.903  -3.225
  332   1HB   LEU  43          1HB       LEU  43 -17.785  -3.568  -2.523
  333   2HB   LEU  43          2HB       LEU  43 -18.642  -4.909  -3.256
  334    HG   LEU  43           HG       LEU  43 -18.810  -5.250  -0.941
  335   1HD1  LEU  43          1HD1      LEU  43 -17.954  -7.205  -2.426
  336   2HD1  LEU  43          2HD1      LEU  43 -16.445  -7.019  -1.500
  337   3HD1  LEU  43          3HD1      LEU  43 -17.969  -7.387  -0.656
  338   1HD2  LEU  43          3HD2      LEU  43 -16.258  -3.931  -0.846
  339   2HD2  LEU  43          1HD2      LEU  43 -17.431  -4.226   0.460
  340   3HD2  LEU  43          2HD2      LEU  43 -16.189  -5.445   0.086
  341    H    VAL  44           H        VAL  44 -17.475  -7.005  -4.823
  342    HA   VAL  44           HA       VAL  44 -18.045  -5.547  -7.246
  343    HB   VAL  44           HB       VAL  44 -15.979  -7.751  -7.129
  344   1HG1  VAL  44          1HG1      VAL  44 -17.698  -7.862  -9.046
  345   2HG1  VAL  44          2HG1      VAL  44 -16.920  -6.378  -9.651
  346   3HG1  VAL  44          3HG1      VAL  44 -15.970  -7.874  -9.475
  347   1HG2  VAL  44          1HG2      VAL  44 -15.869  -4.807  -7.803
  348   2HG2  VAL  44          2HG2      VAL  44 -14.899  -5.720  -6.624
  349   3HG2  VAL  44          3HG2      VAL  44 -14.628  -5.949  -8.368
  350    HA   PRO  45           HA       PRO  45 -21.177  -8.563  -6.665
  351   1HB   PRO  45          1HB       PRO  45 -23.037  -7.414  -8.304
  352   2HB   PRO  45          2HB       PRO  45 -22.851  -6.985  -6.616
  353   1HG   PRO  45          1HG       PRO  45 -22.017  -5.473  -9.015
  354   2HG   PRO  45          2HG       PRO  45 -22.230  -4.897  -7.374
  355   1HD   PRO  45          1HD       PRO  45 -19.742  -5.453  -8.687
  356   2HD   PRO  45          2HD       PRO  45 -19.962  -4.989  -7.011
  357    H    VAL  46           H        VAL  46 -21.692 -10.490  -7.588
  358    HA   VAL  46           HA       VAL  46 -20.459 -10.837 -10.193
  359    HB   VAL  46           HB       VAL  46 -20.225 -12.331  -8.075
  360   1HG1  VAL  46          2HG1      VAL  46 -22.929 -12.529  -8.255
  361   2HG1  VAL  46          3HG1      VAL  46 -22.436 -13.979  -9.163
  362   3HG1  VAL  46          1HG1      VAL  46 -21.887 -13.750  -7.485
  363   1HG2  VAL  46          1HG2      VAL  46 -19.880 -12.743 -10.819
  364   2HG2  VAL  46          2HG2      VAL  46 -19.193 -13.715  -9.495
  365   3HG2  VAL  46          3HG2      VAL  46 -20.732 -14.199 -10.250
  366    H    GLY  47           H        GLY  47 -22.229 -13.106 -10.903
  367   1HA   GLY  47          1HA       GLY  47 -24.651 -11.570 -11.638
  368   2HA   GLY  47          2HA       GLY  47 -23.800 -12.629 -12.744
  369    H    TYR  48           H        TYR  48 -25.463 -12.602  -9.525
  370    HA   TYR  48           HA       TYR  48 -27.150 -14.704 -10.099
  371   1HB   TYR  48          1HB       TYR  48 -24.448 -15.516  -9.764
  372   2HB   TYR  48          2HB       TYR  48 -25.132 -15.779  -8.172
  373    HD1  TYR  48          1HD       TYR  48 -27.826 -16.745  -8.671
  374    HD2  TYR  48          2HD       TYR  48 -24.222 -17.570 -10.825
  375    HE1  TYR  48          1HE       TYR  48 -28.796 -18.959  -9.460
  376    HE2  TYR  48          2HE       TYR  48 -25.203 -19.780 -11.606
  377    HH   TYR  48           HH       TYR  48 -28.382 -20.470 -11.523
  378    H    GLY  49           H        GLY  49 -25.144 -12.970  -7.700
  379   1HA   GLY  49          1HA       GLY  49 -26.851 -11.768  -6.169
  380   2HA   GLY  49          2HA       GLY  49 -27.203 -13.403  -5.648
  381    H    ILE  50           H        ILE  50 -24.105 -13.861  -6.428
  382    HA   ILE  50           HA       ILE  50 -23.229 -13.420  -3.713
  383    HB   ILE  50           HB       ILE  50 -22.376 -15.035  -6.045
  384   1HG1  ILE  50          1HG1      ILE  50 -21.822 -16.236  -3.530
  385   2HG1  ILE  50          2HG1      ILE  50 -23.368 -15.428  -3.374
  386   1HG2  ILE  50          3HG2      ILE  50 -20.367 -13.665  -5.545
  387   2HG2  ILE  50          1HG2      ILE  50 -20.403 -14.280  -3.874
  388   3HG2  ILE  50          2HG2      ILE  50 -20.140 -15.402  -5.231
  389   1HD1  ILE  50          2HD1      ILE  50 -22.904 -16.989  -5.900
  390   2HD1  ILE  50          3HD1      ILE  50 -23.154 -17.909  -4.397
  391   3HD1  ILE  50          1HD1      ILE  50 -24.400 -16.769  -4.959
  392    H    LYS  51           H        LYS  51 -20.950 -12.507  -3.367
  393    HA   LYS  51           HA       LYS  51 -20.423 -10.360  -5.288
  394   1HB   LYS  51          1HB       LYS  51 -20.962 -10.116  -2.341
  395   2HB   LYS  51          2HB       LYS  51 -19.865  -8.994  -3.119
  396   1HG   LYS  51          1HG       LYS  51 -21.724  -7.808  -3.688
  397   2HG   LYS  51          2HG       LYS  51 -21.990  -9.035  -4.910
  398   1HD   LYS  51          1HD       LYS  51 -23.962  -9.488  -3.880
  399   2HD   LYS  51          2HD       LYS  51 -23.030 -10.219  -2.590
  400   1HE   LYS  51          1HE       LYS  51 -22.913  -7.420  -2.096
  401   2HE   LYS  51          2HE       LYS  51 -24.572  -7.734  -2.564
  402   1HZ   LYS  51          1HZ       LYS  51 -24.635  -9.488  -0.913
  403   2HZ   LYS  51          2HZ       LYS  51 -23.096  -9.170  -0.466
  404   3HZ   LYS  51          3HZ       LYS  51 -24.264  -8.054  -0.224
  405    H    LYS  52           H        LYS  52 -18.172  -9.501  -5.107
  406    HA   LYS  52           HA       LYS  52 -16.391 -11.725  -4.636
  407   1HB   LYS  52          1HB       LYS  52 -16.506  -9.560  -6.447
  408   2HB   LYS  52          2HB       LYS  52 -15.091  -9.274  -5.454
  409   1HG   LYS  52          1HG       LYS  52 -14.109 -11.382  -6.027
  410   2HG   LYS  52          2HG       LYS  52 -15.628 -12.031  -6.613
  411   1HD   LYS  52          1HD       LYS  52 -15.520 -10.084  -8.384
  412   2HD   LYS  52          2HD       LYS  52 -13.829  -9.973  -7.937
  413   1HE   LYS  52          1HE       LYS  52 -13.387 -12.245  -8.633
  414   2HE   LYS  52          2HE       LYS  52 -15.094 -12.627  -8.734
  415   1HZ   LYS  52          1HZ       LYS  52 -15.067 -10.701 -10.437
  416   2HZ   LYS  52          2HZ       LYS  52 -13.475 -11.050 -10.554
  417   3HZ   LYS  52          3HZ       LYS  52 -14.589 -12.196 -10.887
  418    H    LEU  53           H        LEU  53 -14.461 -11.569  -3.293
  419    HA   LEU  53           HA       LEU  53 -14.856  -9.661  -1.091
  420   1HB   LEU  53          1HB       LEU  53 -14.968 -12.417  -0.995
  421   2HB   LEU  53          2HB       LEU  53 -13.322 -12.078  -0.495
  422    HG   LEU  53           HG       LEU  53 -15.078 -12.278   1.333
  423   1HD1  LEU  53          3HD1      LEU  53 -13.346  -9.799   1.176
  424   2HD1  LEU  53          1HD1      LEU  53 -14.108 -10.416   2.661
  425   3HD1  LEU  53          2HD1      LEU  53 -12.890 -11.397   1.811
  426   1HD2  LEU  53          1HD2      LEU  53 -16.584 -10.617  -0.148
  427   2HD2  LEU  53          2HD2      LEU  53 -16.750 -10.783   1.616
  428   3HD2  LEU  53          3HD2      LEU  53 -15.814  -9.431   0.932
  429    H    GLN  54           H        GLN  54 -13.594  -8.252  -2.699
  430    HA   GLN  54           HA       GLN  54 -10.797  -8.985  -2.755
  431   1HB   GLN  54          1HB       GLN  54 -12.587  -7.320  -4.400
  432   2HB   GLN  54          2HB       GLN  54 -11.074  -6.510  -4.044
  433   1HG   GLN  54          1HG       GLN  54  -9.969  -8.820  -4.714
  434   2HG   GLN  54          2HG       GLN  54 -11.511  -9.144  -5.484
  435   1HE2  GLN  54          2HE2      GLN  54  -8.945  -7.426  -7.740
  436   2HE2  GLN  54          1HE2      GLN  54  -8.821  -8.715  -6.591
  437    H    ILE  55           H        ILE  55  -9.121  -7.542  -1.951
  438    HA   ILE  55           HA       ILE  55  -9.966  -5.263  -0.403
  439    HB   ILE  55           HB       ILE  55  -9.549  -6.001   1.686
  440   1HG1  ILE  55          1HG1      ILE  55  -7.195  -6.635   1.160
  441   2HG1  ILE  55          2HG1      ILE  55  -7.962  -7.652   2.363
  442   1HG2  ILE  55          2HG2      ILE  55 -10.371  -8.520   0.222
  443   2HG2  ILE  55          3HG2      ILE  55 -10.395  -8.336   1.991
  444   3HG2  ILE  55          1HG2      ILE  55 -11.426  -7.300   0.975
  445   1HD1  ILE  55          2HD1      ILE  55  -7.788  -8.358  -0.603
  446   2HD1  ILE  55          3HD1      ILE  55  -6.664  -8.953   0.644
  447   3HD1  ILE  55          1HD1      ILE  55  -8.384  -9.408   0.706
  448    H    GLN  56           H        GLN  56  -8.068  -3.984   0.348
  449    HA   GLN  56           HA       GLN  56  -5.698  -4.694  -1.195
  450   1HB   GLN  56          1HB       GLN  56  -6.964  -2.867  -2.320
  451   2HB   GLN  56          2HB       GLN  56  -6.888  -1.905  -0.859
  452   1HG   GLN  56          1HG       GLN  56  -5.060  -1.057  -2.056
  453   2HG   GLN  56          2HG       GLN  56  -4.278  -2.257  -1.047
  454   1HE2  GLN  56          2HE2      GLN  56  -3.039  -4.160  -3.648
  455   2HE2  GLN  56          1HE2      GLN  56  -3.063  -3.729  -1.970
  456    H    CYS  57           H        CYS  57  -3.662  -4.169  -0.225
  457    HA   CYS  57           HA       CYS  57  -3.817  -3.002   2.439
  458   1HB   CYS  57          1HB       CYS  57  -2.318  -4.753   3.345
  459   2HB   CYS  57          2HB       CYS  57  -3.892  -5.374   2.887
  460    HG   CYS  57           HG       CYS  57  -1.275  -5.288   0.866
  461    H    VAL  58           H        VAL  58  -1.126  -3.155   3.126
  462    HA   VAL  58           HA       VAL  58   0.390  -2.308   0.792
  463    HB   VAL  58           HB       VAL  58  -0.152  -0.595   3.221
  464   1HG1  VAL  58          1HG1      VAL  58   2.278  -0.639   2.570
  465   2HG1  VAL  58          2HG1      VAL  58   1.802   0.001   0.979
  466   3HG1  VAL  58          3HG1      VAL  58   1.505   0.960   2.449
  467   1HG2  VAL  58          2HG2      VAL  58  -0.701  -0.255   0.260
  468   2HG2  VAL  58          3HG2      VAL  58  -1.878  -0.329   1.593
  469   3HG2  VAL  58          1HG2      VAL  58  -0.796   1.076   1.436
  470    H    VAL  59           H        VAL  59   1.808  -4.032   0.939
  471    HA   VAL  59           HA       VAL  59   2.880  -4.732   3.527
  472    HB   VAL  59           HB       VAL  59   3.651  -6.642   2.517
  473   1HG1  VAL  59          1HG1      VAL  59   1.144  -6.357   2.297
  474   2HG1  VAL  59          2HG1      VAL  59   1.420  -5.931   0.591
  475   3HG1  VAL  59          3HG1      VAL  59   1.883  -7.542   1.193
  476   1HG2  VAL  59          2HG2      VAL  59   3.739  -5.134  -0.116
  477   2HG2  VAL  59          3HG2      VAL  59   5.123  -5.659   0.874
  478   3HG2  VAL  59          1HG2      VAL  59   4.093  -6.869   0.070
  479    H    GLU  60           H        GLU  60   5.349  -5.012   3.697
  480    HA   GLU  60           HA       GLU  60   6.479  -2.504   2.827
  481   1HB   GLU  60          1HB       GLU  60   6.944  -2.767   5.091
  482   2HB   GLU  60          2HB       GLU  60   7.081  -4.512   4.980
  483   1HG   GLU  60          1HG       GLU  60   9.309  -4.444   4.324
  484   2HG   GLU  60          2HG       GLU  60   9.127  -2.932   3.458
  485    H    ASP  61           H        ASP  61   7.245  -2.619   0.734
  486    HA   ASP  61           HA       ASP  61   8.384  -3.263  -0.996
  487   1HB   ASP  61          1HB       ASP  61  10.406  -2.936   0.191
  488   2HB   ASP  61          2HB       ASP  61  10.111  -4.290   1.265
  489    H    ASP  62           H        ASP  62   9.509  -6.147   0.835
  490    HA   ASP  62           HA       ASP  62   7.485  -7.787  -0.371
  491   1HB   ASP  62          1HB       ASP  62   9.746  -7.472  -1.836
  492   2HB   ASP  62          2HB       ASP  62  10.319  -8.727  -0.756
  493    H    LYS  63           H        LYS  63   8.538  -6.856   2.348
  494    HA   LYS  63           HA       LYS  63   9.761  -9.235   3.442
  495   1HB   LYS  63          1HB       LYS  63   9.314  -6.431   4.301
  496   2HB   LYS  63          2HB       LYS  63   9.275  -7.630   5.578
  497   1HG   LYS  63          1HG       LYS  63  11.537  -7.734   5.543
  498   2HG   LYS  63          2HG       LYS  63  11.481  -8.331   3.897
  499   1HD   LYS  63          1HD       LYS  63  12.298  -6.370   3.107
  500   2HD   LYS  63          2HD       LYS  63  10.975  -5.482   3.840
  501   1HE   LYS  63          1HE       LYS  63  12.361  -4.654   5.433
  502   2HE   LYS  63          2HE       LYS  63  12.793  -6.273   5.946
  503   1HZ   LYS  63          1HZ       LYS  63  14.145  -5.966   3.642
  504   2HZ   LYS  63          2HZ       LYS  63  14.240  -4.473   4.298
  505   3HZ   LYS  63          3HZ       LYS  63  14.772  -5.769   5.138
  506    H    VAL  64           H        VAL  64   6.607  -7.534   3.383
  507    HA   VAL  64           HA       VAL  64   5.503  -9.769   4.936
  508    HB   VAL  64           HB       VAL  64   4.568  -6.920   4.553
  509   1HG1  VAL  64          2HG1      VAL  64   2.967  -9.202   4.978
  510   2HG1  VAL  64          3HG1      VAL  64   3.097  -8.395   6.559
  511   3HG1  VAL  64          1HG1      VAL  64   2.495  -7.495   5.146
  512   1HG2  VAL  64          2HG2      VAL  64   5.710  -8.456   6.898
  513   2HG2  VAL  64          3HG2      VAL  64   6.306  -6.951   6.158
  514   3HG2  VAL  64          1HG2      VAL  64   4.795  -6.943   7.098
  515    H    GLY  65           H        GLY  65   3.929 -11.061   4.028
  516   1HA   GLY  65          1HA       GLY  65   2.862 -10.238   1.406
  517   2HA   GLY  65          2HA       GLY  65   3.644 -11.795   1.593
  518    H    THR  66           H        THR  66   1.133 -12.034   0.747
  519    HA   THR  66           HA       THR  66  -0.764 -12.071   2.901
  520    HB   THR  66           HB       THR  66  -1.323 -11.563   0.495
  521    HG1  THR  66          1HG       THR  66  -3.194 -12.421   1.306
  522   1HG2  THR  66          3HG2      THR  66  -0.291 -14.392   0.190
  523   2HG2  THR  66          1HG2      THR  66  -1.694 -13.894  -0.786
  524   3HG2  THR  66          2HG2      THR  66  -0.150 -13.020  -0.936
  525    H    ASP  67           H        ASP  67   1.389 -13.456   3.853
  526    HA   ASP  67           HA       ASP  67   0.787 -16.238   3.379
  527   1HB   ASP  67          1HB       ASP  67   2.764 -16.403   5.161
  528   2HB   ASP  67          2HB       ASP  67   3.099 -16.041   3.479
  529    H    MET  68           H        MET  68   1.485 -14.089   6.252
  530    HA   MET  68           HA       MET  68   0.212 -15.819   8.041
  531   1HB   MET  68          1HB       MET  68   1.924 -13.650   8.207
  532   2HB   MET  68          2HB       MET  68   0.424 -12.897   8.711
  533   1HG   MET  68          1HG       MET  68   0.558 -15.418  10.071
  534   2HG   MET  68          2HG       MET  68   2.148 -14.694  10.214
  535   1HE   MET  68          2HE       MET  68  -1.491 -13.365   9.918
  536   2HE   MET  68          3HE       MET  68  -1.604 -14.513  11.273
  537   3HE   MET  68          1HE       MET  68  -1.815 -12.769  11.563
  538    H    LEU  69           H        LEU  69  -0.816 -12.827   6.314
  539    HA   LEU  69           HA       LEU  69  -3.231 -12.484   7.665
  540   1HB   LEU  69          1HB       LEU  69  -3.621 -10.815   6.188
  541   2HB   LEU  69          2HB       LEU  69  -1.884 -10.972   6.021
  542    HG   LEU  69           HG       LEU  69  -2.353 -12.487   4.011
  543   1HD1  LEU  69          3HD1      LEU  69  -5.010 -12.172   4.887
  544   2HD1  LEU  69          1HD1      LEU  69  -4.878 -11.261   3.364
  545   3HD1  LEU  69          2HD1      LEU  69  -4.430 -12.983   3.412
  546   1HD2  LEU  69          1HD2      LEU  69  -2.989  -9.532   4.011
  547   2HD2  LEU  69          2HD2      LEU  69  -1.445 -10.334   3.633
  548   3HD2  LEU  69          3HD2      LEU  69  -2.827 -10.495   2.523
  549    H    GLU  70           H        GLU  70  -2.384 -14.333   4.674
  550    HA   GLU  70           HA       GLU  70  -4.937 -15.084   4.033
  551   1HB   GLU  70          1HB       GLU  70  -2.994 -15.405   2.549
  552   2HB   GLU  70          2HB       GLU  70  -2.318 -16.595   3.643
  553   1HG   GLU  70          1HG       GLU  70  -4.580 -17.882   3.323
  554   2HG   GLU  70          2HG       GLU  70  -4.829 -16.827   1.946
  555    H    GLU  71           H        GLU  71  -2.469 -16.913   5.985
  556    HA   GLU  71           HA       GLU  71  -4.109 -19.028   6.587
  557   1HB   GLU  71          1HB       GLU  71  -1.761 -17.795   8.078
  558   2HB   GLU  71          2HB       GLU  71  -2.533 -19.272   8.618
  559   1HG   GLU  71          1HG       GLU  71  -1.804 -19.191   5.717
  560   2HG   GLU  71          2HG       GLU  71  -0.452 -19.204   6.832
  561    H    GLN  72           H        GLN  72  -4.326 -15.736   7.592
  562    HA   GLN  72           HA       GLN  72  -5.732 -16.448  10.017
  563   1HB   GLN  72          1HB       GLN  72  -4.047 -14.598  10.052
  564   2HB   GLN  72          2HB       GLN  72  -5.007 -13.708   8.889
  565   1HG   GLN  72          1HG       GLN  72  -6.439 -12.966  10.496
  566   2HG   GLN  72          2HG       GLN  72  -6.666 -14.579  11.143
  567   1HE2  GLN  72          2HE2      GLN  72  -5.192 -12.552  13.832
  568   2HE2  GLN  72          1HE2      GLN  72  -6.649 -12.614  12.896
  569    H    ILE  73           H        ILE  73  -6.211 -14.730   6.869
  570    HA   ILE  73           HA       ILE  73  -8.980 -14.275   7.388
  571    HB   ILE  73           HB       ILE  73  -7.337 -14.055   4.863
  572   1HG1  ILE  73          1HG1      ILE  73  -8.145 -11.972   6.914
  573   2HG1  ILE  73          2HG1      ILE  73  -6.529 -12.594   6.650
  574   1HG2  ILE  73          2HG2      ILE  73 -10.190 -13.884   5.303
  575   2HG2  ILE  73          3HG2      ILE  73  -9.539 -12.324   4.747
  576   3HG2  ILE  73          1HG2      ILE  73  -9.262 -13.797   3.787
  577   1HD1  ILE  73          3HD1      ILE  73  -6.939 -11.826   4.140
  578   2HD1  ILE  73          1HD1      ILE  73  -8.178 -10.784   4.881
  579   3HD1  ILE  73          2HD1      ILE  73  -6.474 -10.630   5.375
  580    H    THR  74           H        THR  74  -7.179 -16.395   5.042
  581    HA   THR  74           HA       THR  74  -9.514 -17.830   4.332
  582    HB   THR  74           HB       THR  74  -7.970 -19.087   2.980
  583    HG1  THR  74          1HG       THR  74  -6.205 -18.206   5.135
  584   1HG2  THR  74          3HG2      THR  74  -7.855 -16.404   2.761
  585   2HG2  THR  74          1HG2      THR  74  -6.211 -16.663   3.393
  586   3HG2  THR  74          2HG2      THR  74  -6.713 -17.440   1.873
  587    H    ALA  75           H        ALA  75  -7.770 -17.767   7.229
  588    HA   ALA  75           HA       ALA  75  -7.573 -20.418   7.945
  589   1HB   ALA  75          1HB       ALA  75  -7.280 -17.889   9.136
  590   2HB   ALA  75          2HB       ALA  75  -8.497 -18.723  10.133
  591   3HB   ALA  75          3HB       ALA  75  -6.899 -19.464   9.869
  592    H    PHE  76           H        PHE  76 -10.399 -18.474   7.297
  593    HA   PHE  76           HA       PHE  76 -12.103 -20.327   8.763
  594   1HB   PHE  76          1HB       PHE  76 -12.143 -17.538   7.714
  595   2HB   PHE  76          2HB       PHE  76 -13.629 -18.393   7.350
  596    HD1  PHE  76          1HD       PHE  76 -14.681 -19.690   9.410
  597    HD2  PHE  76          2HD       PHE  76 -11.982 -16.431   9.734
  598    HE1  PHE  76          1HE       PHE  76 -15.516 -19.230  11.732
  599    HE2  PHE  76          2HE       PHE  76 -12.817 -15.972  12.057
  600    HZ   PHE  76           HZ       PHE  76 -14.573 -17.376  13.028
  601    H    GLU  77           H        GLU  77 -11.813 -22.209   7.401
  602    HA   GLU  77           HA       GLU  77 -12.283 -22.012   4.634
  603   1HB   GLU  77          1HB       GLU  77 -11.370 -23.989   6.494
  604   2HB   GLU  77          2HB       GLU  77 -12.725 -24.694   5.635
  605   1HG   GLU  77          1HG       GLU  77 -10.825 -23.190   3.901
  606   2HG   GLU  77          2HG       GLU  77 -10.131 -24.599   4.677
  607    H    ASP  78           H        ASP  78 -14.362 -21.644   7.231
  608    HA   ASP  78           HA       ASP  78 -16.544 -23.067   5.996
  609   1HB   ASP  78          1HB       ASP  78 -15.897 -22.637   8.618
  610   2HB   ASP  78          2HB       ASP  78 -16.976 -21.279   8.366
  611    H    TYR  79           H        TYR  79 -15.091 -20.505   4.957
  612    HA   TYR  79           HA       TYR  79 -17.511 -19.074   4.296
  613   1HB   TYR  79          1HB       TYR  79 -15.159 -18.069   5.981
  614   2HB   TYR  79          2HB       TYR  79 -16.034 -16.928   4.980
  615    HD1  TYR  79          1HD       TYR  79 -18.782 -17.354   5.256
  616    HD2  TYR  79          2HD       TYR  79 -15.760 -18.009   8.212
  617    HE1  TYR  79          1HE       TYR  79 -20.513 -17.074   7.097
  618    HE2  TYR  79          2HE       TYR  79 -17.500 -17.727  10.043
  619    HH   TYR  79           HH       TYR  79 -19.842 -17.912  10.342
  620    H    VAL  80           H        VAL  80 -13.903 -19.274   4.145
  621    HA   VAL  80           HA       VAL  80 -13.913 -17.950   1.577
  622    HB   VAL  80           HB       VAL  80 -11.723 -19.170   3.270
  623   1HG1  VAL  80          3HG1      VAL  80 -11.710 -17.950   0.547
  624   2HG1  VAL  80          1HG1      VAL  80 -10.386 -17.505   1.650
  625   3HG1  VAL  80          2HG1      VAL  80 -10.670 -19.215   1.245
  626   1HG2  VAL  80          2HG2      VAL  80 -13.159 -16.716   3.491
  627   2HG2  VAL  80          3HG2      VAL  80 -11.759 -17.274   4.440
  628   3HG2  VAL  80          1HG2      VAL  80 -11.507 -16.333   2.951
  629    H    GLN  81           H        GLN  81 -14.048 -18.959  -0.365
  630    HA   GLN  81           HA       GLN  81 -14.232 -21.816  -0.316
  631   1HB   GLN  81          1HB       GLN  81 -15.795 -20.273  -1.616
  632   2HB   GLN  81          2HB       GLN  81 -14.466 -19.945  -2.709
  633   1HG   GLN  81          1HG       GLN  81 -14.426 -22.718  -2.612
  634   2HG   GLN  81          2HG       GLN  81 -16.140 -22.389  -2.448
  635   1HE2  GLN  81          2HE2      GLN  81 -14.082 -21.640  -5.931
  636   2HE2  GLN  81          1HE2      GLN  81 -13.297 -22.042  -4.440
  637    H    SER  82           H        SER  82 -12.052 -19.246  -1.539
  638    HA   SER  82           HA       SER  82  -9.848 -20.883  -1.486
  639   1HB   SER  82          1HB       SER  82 -11.274 -20.780  -4.142
  640   2HB   SER  82          2HB       SER  82  -9.522 -20.788  -4.139
  641    HG   SER  82           HG       SER  82  -9.505 -22.791  -3.071
  642    H    MET  83           H        MET  83  -8.277 -19.373  -1.078
  643    HA   MET  83           HA       MET  83  -8.751 -16.693  -2.020
  644   1HB   MET  83          1HB       MET  83  -8.104 -16.819   0.295
  645   2HB   MET  83          2HB       MET  83  -6.876 -18.028  -0.022
  646   1HG   MET  83          1HG       MET  83  -6.588 -15.312  -1.323
  647   2HG   MET  83          2HG       MET  83  -6.213 -15.465   0.381
  648   1HE   MET  83          1HE       MET  83  -4.055 -15.346   0.858
  649   2HE   MET  83          2HE       MET  83  -2.650 -16.070   0.039
  650   3HE   MET  83          3HE       MET  83  -3.502 -14.695  -0.704
  651    H    ASP  84           H        ASP  84  -7.113 -15.430  -3.166
  652    HA   ASP  84           HA       ASP  84  -4.896 -16.899  -4.228
  653   1HB   ASP  84          1HB       ASP  84  -7.310 -16.112  -5.831
  654   2HB   ASP  84          2HB       ASP  84  -5.754 -15.810  -6.579
  655    H    VAL  85           H        VAL  85  -4.024 -15.103  -6.181
  656    HA   VAL  85           HA       VAL  85  -3.864 -12.595  -4.667
  657    HB   VAL  85           HB       VAL  85  -1.796 -13.949  -5.012
  658   1HG1  VAL  85          2HG1      VAL  85  -2.510 -13.464  -7.893
  659   2HG1  VAL  85          3HG1      VAL  85  -0.801 -13.593  -7.410
  660   3HG1  VAL  85          1HG1      VAL  85  -1.918 -14.945  -7.102
  661   1HG2  VAL  85          3HG2      VAL  85  -2.196 -11.182  -5.229
  662   2HG2  VAL  85          1HG2      VAL  85  -0.679 -12.024  -4.832
  663   3HG2  VAL  85          2HG2      VAL  85  -1.038 -11.587  -6.519
  664    H    ALA  86           H        ALA  86  -4.006 -10.573  -5.821
  665    HA   ALA  86           HA       ALA  86  -5.585 -10.859  -8.276
  666   1HB   ALA  86          2HB       ALA  86  -5.826  -9.283  -5.866
  667   2HB   ALA  86          3HB       ALA  86  -5.664  -8.201  -7.271
  668   3HB   ALA  86          1HB       ALA  86  -6.958  -9.420  -7.234
  669    H    ALA  87           H        ALA  87  -2.541  -9.781  -6.911
  670    HA   ALA  87           HA       ALA  87  -1.267  -9.489  -9.300
  671   1HB   ALA  87          2HB       ALA  87  -3.072  -7.315  -8.890
  672   2HB   ALA  87          3HB       ALA  87  -1.421  -6.684  -8.674
  673   3HB   ALA  87          1HB       ALA  87  -1.866  -7.515 -10.184
  674    H    PHE  88           H        PHE  88   0.795  -7.911  -8.957
  675    HA   PHE  88           HA       PHE  88   1.492  -7.704  -6.165
  676   1HB   PHE  88          1HB       PHE  88   2.097 -10.014  -7.758
  677   2HB   PHE  88          2HB       PHE  88   3.587  -9.094  -7.722
  678    HD1  PHE  88          2HD       PHE  88   1.031 -10.671  -5.554
  679    HD2  PHE  88          1HD       PHE  88   4.964  -9.098  -5.810
  680    HE1  PHE  88          2HE       PHE  88   1.551 -11.601  -3.281
  681    HE2  PHE  88          1HE       PHE  88   5.484 -10.027  -3.537
  682    HZ   PHE  88           HZ       PHE  88   3.771 -11.268  -2.300
  683    H    ASN  89           H        ASN  89   1.897  -5.500  -6.365
  684    HA   ASN  89           HA       ASN  89   4.257  -4.880  -7.882
  685   1HB   ASN  89          1HB       ASN  89   2.128  -4.436  -9.334
  686   2HB   ASN  89          2HB       ASN  89   1.770  -3.138  -8.212
  687   1HD2  ASN  89          2HD2      ASN  89   3.746  -0.855  -9.871
  688   2HD2  ASN  89          1HD2      ASN  89   2.336  -1.250  -8.946
  689    H    LYS  90           H        LYS  90   4.715  -2.320  -7.417
  690    HA   LYS  90           HA       LYS  90   4.602  -2.061  -4.567
  691   1HB   LYS  90          1HB       LYS  90   6.064  -0.835  -6.819
  692   2HB   LYS  90          2HB       LYS  90   5.702   0.267  -5.506
  693   1HG   LYS  90          1HG       LYS  90   6.749  -1.251  -3.871
  694   2HG   LYS  90          2HG       LYS  90   6.988  -2.473  -5.104
  695   1HD   LYS  90          1HD       LYS  90   9.095  -1.483  -5.118
  696   2HD   LYS  90          2HD       LYS  90   8.311  -0.528  -6.360
  697   1HE   LYS  90          1HE       LYS  90   8.081   1.357  -4.973
  698   2HE   LYS  90          2HE       LYS  90   8.075   0.409  -3.499
  699   1HZ   LYS  90          3HZ       LYS  90  10.497   0.184  -4.983
  700   2HZ   LYS  90          1HZ       LYS  90  10.194   1.707  -4.475
  701   3HZ   LYS  90          2HZ       LYS  90  10.275   0.485  -3.395
  702    H    ILE  91           H        ILE  91   4.086   0.215  -3.704
  703    HA   ILE  91           HA       ILE  91   1.455   1.040  -4.840
  704    HB   ILE  91           HB       ILE  91   1.183  -0.042  -2.681
  705   1HG1  ILE  91          1HG1      ILE  91   0.906   2.541  -1.485
  706   2HG1  ILE  91          2HG1      ILE  91   0.561   2.717  -3.222
  707   1HG2  ILE  91          3HG2      ILE  91   3.739   0.989  -2.176
  708   2HG2  ILE  91          1HG2      ILE  91   2.676   1.902  -1.079
  709   3HG2  ILE  91          2HG2      ILE  91   2.704   0.124  -1.016
  710   1HD1  ILE  91          3HD1      ILE  91  -0.636   0.485  -1.543
  711   2HD1  ILE  91          1HD1      ILE  91  -1.425   2.070  -1.722
  712   3HD1  ILE  91          2HD1      ILE  91  -1.148   1.047  -3.152
   
  No H/Q in entry =         712
  Start of MODEL    6
    1   1H    MET   1           H        MET   1  17.139  -1.860   4.440
    2   2H    MET   1          2HN       MET   1  18.453  -0.929   4.827
    3   3H    MET   1          3HN       MET   1  17.718  -1.848   5.991
    4    HA   MET   1           HA       MET   1  16.805   0.074   6.534
    5   1HB   MET   1          1HB       MET   1  17.398   0.699   3.650
    6   2HB   MET   1          2HB       MET   1  16.202   1.684   4.525
    7   1HG   MET   1          1HG       MET   1  17.785   2.330   6.174
    8   2HG   MET   1          2HG       MET   1  18.934   1.076   5.678
    9   1HE   MET   1          3HE       MET   1  20.965   1.922   5.207
   10   2HE   MET   1          1HE       MET   1  21.403   3.404   4.322
   11   3HE   MET   1          2HE       MET   1  20.660   3.517   5.937
   12    H    LEU   2           H        LEU   2  14.523   0.777   6.604
   13    HA   LEU   2           HA       LEU   2  12.834  -1.235   5.334
   14   1HB   LEU   2          1HB       LEU   2  11.147  -0.473   6.967
   15   2HB   LEU   2          2HB       LEU   2  12.598  -1.143   7.686
   16    HG   LEU   2           HG       LEU   2  12.788   1.752   7.400
   17   1HD1  LEU   2          2HD1      LEU   2  10.242   1.274   7.707
   18   2HD1  LEU   2          3HD1      LEU   2  10.701   0.916   9.389
   19   3HD1  LEU   2          1HD1      LEU   2  11.039   2.520   8.696
   20   1HD2  LEU   2          2HD2      LEU   2  13.782  -0.270   9.048
   21   2HD2  LEU   2          3HD2      LEU   2  14.074   1.479   9.190
   22   3HD2  LEU   2          1HD2      LEU   2  12.752   0.721  10.109
   23    H    VAL   3           H        VAL   3  12.713  -0.454   3.196
   24    HA   VAL   3           HA       VAL   3  10.902   1.776   2.916
   25    HB   VAL   3           HB       VAL   3  13.218   2.739   2.979
   26   1HG1  VAL   3          1HG1      VAL   3  13.523   0.908   0.610
   27   2HG1  VAL   3          2HG1      VAL   3  14.420   2.444   0.670
   28   3HG1  VAL   3          3HG1      VAL   3  14.649   1.229   1.950
   29   1HG2  VAL   3          2HG2      VAL   3  11.062   3.468   1.512
   30   2HG2  VAL   3          3HG2      VAL   3  12.581   4.395   1.568
   31   3HG2  VAL   3          1HG2      VAL   3  12.269   3.277   0.218
   32    H    ALA   4           H        ALA   4  10.219   1.968   0.530
   33    HA   ALA   4           HA       ALA   4   9.600   1.062  -1.407
   34   1HB   ALA   4          3HB       ALA   4  12.033   0.051  -1.262
   35   2HB   ALA   4          1HB       ALA   4  11.168  -1.466  -0.917
   36   3HB   ALA   4          2HB       ALA   4  10.867  -0.597  -2.442
   37    H    LYS   5           H        LYS   5   7.535   1.041  -0.188
   38    HA   LYS   5           HA       LYS   5   6.791  -1.521   0.935
   39   1HB   LYS   5          1HB       LYS   5   5.511   1.209   0.825
   40   2HB   LYS   5          2HB       LYS   5   4.592  -0.202   1.309
   41   1HG   LYS   5          1HG       LYS   5   7.259   0.052   2.622
   42   2HG   LYS   5          2HG       LYS   5   6.126   1.328   3.021
   43   1HD   LYS   5          1HD       LYS   5   5.441  -1.643   3.199
   44   2HD   LYS   5          2HD       LYS   5   6.038  -0.709   4.556
   45   1HE   LYS   5          1HE       LYS   5   3.530   0.027   2.974
   46   2HE   LYS   5          2HE       LYS   5   3.502  -0.918   4.450
   47   1HZ   LYS   5          2HZ       LYS   5   4.686   1.765   4.259
   48   2HZ   LYS   5          3HZ       LYS   5   3.167   1.471   4.781
   49   3HZ   LYS   5          1HZ       LYS   5   4.444   0.899   5.623
   50    H    SER   6           H        SER   6   4.375  -2.196   0.279
   51    HA   SER   6           HA       SER   6   3.929  -1.780  -2.522
   52   1HB   SER   6          1HB       SER   6   3.700  -4.449  -2.653
   53   2HB   SER   6          2HB       SER   6   5.212  -3.634  -3.002
   54    HG   SER   6           HG       SER   6   4.569  -4.506  -0.329
   55    H    SER   7           H        SER   7   1.768  -2.689  -3.198
   56    HA   SER   7           HA       SER   7   0.098  -3.233  -0.873
   57   1HB   SER   7          1HB       SER   7  -0.517  -1.013  -1.330
   58   2HB   SER   7          2HB       SER   7  -0.272  -1.185  -3.057
   59    HG   SER   7           HG       SER   7  -2.563  -1.092  -2.311
   60    H    ILE   8           H        ILE   8  -0.396  -5.394  -1.174
   61    HA   ILE   8           HA       ILE   8  -0.869  -6.331  -3.882
   62    HB   ILE   8           HB       ILE   8  -0.605  -7.753  -1.233
   63   1HG1  ILE   8          1HG1      ILE   8   1.382  -8.600  -2.996
   64   2HG1  ILE   8          2HG1      ILE   8   1.291  -6.871  -3.271
   65   1HG2  ILE   8          1HG2      ILE   8  -2.133  -8.729  -3.184
   66   2HG2  ILE   8          2HG2      ILE   8  -0.549  -9.241  -3.813
   67   3HG2  ILE   8          3HG2      ILE   8  -1.073  -9.759  -2.193
   68   1HD1  ILE   8          1HD1      ILE   8   1.332  -6.606  -0.696
   69   2HD1  ILE   8          2HD1      ILE   8   1.811  -8.320  -0.648
   70   3HD1  ILE   8          3HD1      ILE   8   2.843  -7.130  -1.475
   71    H    LEU   9           H        LEU   9  -2.850  -7.128  -4.634
   72    HA   LEU   9           HA       LEU   9  -5.111  -6.535  -2.853
   73   1HB   LEU   9          1HB       LEU   9  -5.053  -4.970  -4.649
   74   2HB   LEU   9          2HB       LEU   9  -4.809  -6.236  -5.838
   75    HG   LEU   9           HG       LEU   9  -7.162  -7.070  -4.833
   76   1HD1  LEU   9          2HD1      LEU   9  -7.046  -4.107  -4.287
   77   2HD1  LEU   9          3HD1      LEU   9  -8.582  -4.945  -4.617
   78   3HD1  LEU   9          1HD1      LEU   9  -7.586  -5.427  -3.223
   79   1HD2  LEU   9          1HD2      LEU   9  -6.278  -5.561  -7.148
   80   2HD2  LEU   9          2HD2      LEU   9  -7.486  -6.861  -7.022
   81   3HD2  LEU   9          3HD2      LEU   9  -7.960  -5.172  -6.718
   82    H    LEU  10           H        LEU  10  -5.775  -8.432  -1.974
   83    HA   LEU  10           HA       LEU  10  -5.539 -10.848  -3.553
   84   1HB   LEU  10          1HB       LEU  10  -6.022 -10.164  -0.695
   85   2HB   LEU  10          2HB       LEU  10  -6.644 -11.692  -1.286
   86    HG   LEU  10           HG       LEU  10  -4.426 -12.421  -1.932
   87   1HD1  LEU  10          1HD1      LEU  10  -3.801  -9.583  -1.708
   88   2HD1  LEU  10          2HD1      LEU  10  -2.618 -10.611  -0.865
   89   3HD1  LEU  10          3HD1      LEU  10  -2.960 -10.880  -2.591
   90   1HD2  LEU  10          3HD2      LEU  10  -5.308 -12.036   0.686
   91   2HD2  LEU  10          1HD2      LEU  10  -4.022 -13.138   0.134
   92   3HD2  LEU  10          2HD2      LEU  10  -3.610 -11.500   0.698
   93    H    ASP  11           H        ASP  11  -7.377 -12.286  -3.937
   94    HA   ASP  11           HA       ASP  11  -9.909 -10.858  -3.862
   95   1HB   ASP  11          1HB       ASP  11  -9.280 -10.662  -6.155
   96   2HB   ASP  11          2HB       ASP  11  -8.575 -12.267  -6.193
   97    H    VAL  12           H        VAL  12 -10.887 -12.153  -2.245
   98    HA   VAL  12           HA       VAL  12 -10.687 -15.058  -2.600
   99    HB   VAL  12           HB       VAL  12 -11.541 -13.488  -0.162
  100   1HG1  VAL  12          3HG1      VAL  12 -11.444 -16.328  -0.849
  101   2HG1  VAL  12          1HG1      VAL  12 -10.518 -15.951   0.623
  102   3HG1  VAL  12          2HG1      VAL  12 -12.238 -15.507   0.515
  103   1HG2  VAL  12          2HG2      VAL  12  -9.126 -13.116  -0.997
  104   2HG2  VAL  12          3HG2      VAL  12  -9.363 -13.598   0.700
  105   3HG2  VAL  12          1HG2      VAL  12  -8.844 -14.803  -0.503
  106    H    LYS  13           H        LYS  13 -12.593 -16.340  -2.619
  107    HA   LYS  13           HA       LYS  13 -15.010 -14.763  -3.163
  108   1HB   LYS  13          1HB       LYS  13 -13.730 -16.464  -4.866
  109   2HB   LYS  13          2HB       LYS  13 -14.865 -17.563  -4.113
  110   1HG   LYS  13          1HG       LYS  13 -16.631 -16.646  -5.215
  111   2HG   LYS  13          2HG       LYS  13 -16.172 -15.021  -4.745
  112   1HD   LYS  13          1HD       LYS  13 -14.949 -14.644  -6.686
  113   2HD   LYS  13          2HD       LYS  13 -14.465 -16.321  -6.842
  114   1HE   LYS  13          1HE       LYS  13 -17.383 -16.005  -7.112
  115   2HE   LYS  13          2HE       LYS  13 -16.516 -15.031  -8.284
  116   1HZ   LYS  13          1HZ       LYS  13 -15.495 -17.688  -7.957
  117   2HZ   LYS  13          2HZ       LYS  13 -17.008 -17.619  -8.569
  118   3HZ   LYS  13          3HZ       LYS  13 -15.786 -16.843  -9.324
  119    HA   PRO  14           HA       PRO  14 -16.654 -16.650   0.370
  120   1HB   PRO  14          1HB       PRO  14 -19.262 -15.882   0.097
  121   2HB   PRO  14          2HB       PRO  14 -18.023 -14.844   0.774
  122   1HG   PRO  14          1HG       PRO  14 -19.286 -14.724  -1.896
  123   2HG   PRO  14          2HG       PRO  14 -18.383 -13.481  -1.052
  124   1HD   PRO  14          1HD       PRO  14 -17.443 -15.117  -3.213
  125   2HD   PRO  14          2HD       PRO  14 -16.507 -13.957  -2.292
  126    H    TRP  15           H        TRP  15 -17.965 -18.383   1.183
  127    HA   TRP  15           HA       TRP  15 -18.066 -20.476  -0.687
  128   1HB   TRP  15          1HB       TRP  15 -18.628 -20.064   2.158
  129   2HB   TRP  15          2HB       TRP  15 -19.679 -21.251   1.410
  130    HD1  TRP  15           HD       TRP  15 -16.775 -21.459   3.364
  131    HE1  TRP  15          1HE       TRP  15 -15.108 -23.429   2.807
  132    HE3  TRP  15          3HE       TRP  15 -18.603 -22.388  -1.289
  133    HZ2  TRP  15          2HZ       TRP  15 -14.750 -25.115   0.532
  134    HZ3  TRP  15          3HZ       TRP  15 -17.537 -24.214  -2.613
  135    HH2  TRP  15           HH       TRP  15 -15.676 -25.555  -1.772
  136    H    ASP  16           H        ASP  16 -20.352 -17.985   0.437
  137    HA   ASP  16           HA       ASP  16 -21.967 -18.288  -1.770
  138   1HB   ASP  16          1HB       ASP  16 -22.591 -20.099   0.437
  139   2HB   ASP  16          2HB       ASP  16 -23.917 -18.980   0.194
  140    H    ASP  17           H        ASP  17 -24.285 -17.097  -1.164
  141    HA   ASP  17           HA       ASP  17 -23.649 -14.586  -0.351
  142   1HB   ASP  17          1HB       ASP  17 -25.889 -14.123  -0.700
  143   2HB   ASP  17          2HB       ASP  17 -25.824 -15.699  -1.464
  144    H    GLU  18           H        GLU  18 -24.260 -17.489   1.515
  145    HA   GLU  18           HA       GLU  18 -25.227 -16.278   3.843
  146   1HB   GLU  18          1HB       GLU  18 -24.921 -18.426   4.869
  147   2HB   GLU  18          2HB       GLU  18 -25.384 -18.737   3.207
  148   1HG   GLU  18          1HG       GLU  18 -22.915 -18.956   2.628
  149   2HG   GLU  18          2HG       GLU  18 -22.546 -18.804   4.334
  150    H    THR  19           H        THR  19 -21.941 -17.097   2.625
  151    HA   THR  19           HA       THR  19 -20.450 -16.726   4.888
  152    HB   THR  19           HB       THR  19 -20.006 -16.166   1.927
  153    HG1  THR  19          1HG       THR  19 -19.221 -18.046   4.032
  154   1HG2  THR  19          2HG2      THR  19 -17.908 -16.103   4.160
  155   2HG2  THR  19          3HG2      THR  19 -17.588 -15.991   2.412
  156   3HG2  THR  19          1HG2      THR  19 -18.445 -14.673   3.246
  157    H    ASP  20           H        ASP  20 -20.709 -15.191   6.398
  158    HA   ASP  20           HA       ASP  20 -21.807 -12.759   6.020
  159   1HB   ASP  20          1HB       ASP  20 -20.477 -14.145   8.100
  160   2HB   ASP  20          2HB       ASP  20 -19.595 -12.637   7.953
  161    H    MET  21           H        MET  21 -21.051 -11.557   4.192
  162    HA   MET  21           HA       MET  21 -18.404 -11.363   3.457
  163   1HB   MET  21          1HB       MET  21 -20.946  -9.793   2.962
  164   2HB   MET  21          2HB       MET  21 -19.440  -9.064   2.438
  165   1HG   MET  21          1HG       MET  21 -19.116 -11.629   1.475
  166   2HG   MET  21          2HG       MET  21 -20.857 -11.467   1.367
  167   1HE   MET  21          1HE       MET  21 -18.116 -11.568  -0.536
  168   2HE   MET  21          2HE       MET  21 -19.599 -11.777  -1.500
  169   3HE   MET  21          3HE       MET  21 -18.427 -10.509  -1.934
  170    H    ALA  22           H        ALA  22 -20.412  -9.320   5.642
  171    HA   ALA  22           HA       ALA  22 -18.591  -7.235   5.948
  172   1HB   ALA  22          3HB       ALA  22 -20.885  -8.377   7.537
  173   2HB   ALA  22          1HB       ALA  22 -19.875  -7.095   8.248
  174   3HB   ALA  22          2HB       ALA  22 -20.746  -6.800   6.724
  175    H    LYS  23           H        LYS  23 -18.982 -10.378   7.684
  176    HA   LYS  23           HA       LYS  23 -16.952  -9.822   9.568
  177   1HB   LYS  23          1HB       LYS  23 -18.928 -11.568   9.551
  178   2HB   LYS  23          2HB       LYS  23 -17.746 -12.609   8.784
  179   1HG   LYS  23          1HG       LYS  23 -16.853 -13.050  10.817
  180   2HG   LYS  23          2HG       LYS  23 -16.367 -11.371  10.945
  181   1HD   LYS  23          1HD       LYS  23 -18.897 -10.988  11.677
  182   2HD   LYS  23          2HD       LYS  23 -18.865 -12.705  12.020
  183   1HE   LYS  23          1HE       LYS  23 -17.344 -12.479  13.774
  184   2HE   LYS  23          2HE       LYS  23 -16.557 -11.085  13.061
  185   1HZ   LYS  23          3HZ       LYS  23 -18.920 -10.067  13.514
  186   2HZ   LYS  23          1HZ       LYS  23 -18.930 -11.194  14.696
  187   3HZ   LYS  23          2HZ       LYS  23 -17.747 -10.069  14.651
  188    H    LEU  24           H        LEU  24 -17.051 -11.432   6.351
  189    HA   LEU  24           HA       LEU  24 -14.425 -12.390   6.424
  190   1HB   LEU  24          1HB       LEU  24 -16.606 -12.503   4.717
  191   2HB   LEU  24          2HB       LEU  24 -15.404 -11.632   3.785
  192    HG   LEU  24           HG       LEU  24 -14.959 -14.332   5.088
  193   1HD1  LEU  24          2HD1      LEU  24 -16.522 -13.812   2.876
  194   2HD1  LEU  24          3HD1      LEU  24 -14.940 -14.214   2.164
  195   3HD1  LEU  24          1HD1      LEU  24 -15.738 -15.361   3.267
  196   1HD2  LEU  24          3HD2      LEU  24 -13.064 -12.471   4.347
  197   2HD2  LEU  24          1HD2      LEU  24 -12.806 -14.225   4.515
  198   3HD2  LEU  24          2HD2      LEU  24 -13.169 -13.527   2.917
  199    H    GLU  25           H        GLU  25 -15.854  -9.276   5.281
  200    HA   GLU  25           HA       GLU  25 -13.329  -8.320   4.438
  201   1HB   GLU  25          1HB       GLU  25 -15.481  -7.570   3.430
  202   2HB   GLU  25          2HB       GLU  25 -15.943  -6.832   4.952
  203   1HG   GLU  25          1HG       GLU  25 -13.847  -5.394   4.818
  204   2HG   GLU  25          2HG       GLU  25 -13.545  -6.060   3.225
  205    H    GLU  26           H        GLU  26 -15.273  -8.214   7.418
  206    HA   GLU  26           HA       GLU  26 -13.861  -6.096   8.588
  207   1HB   GLU  26          1HB       GLU  26 -15.944  -6.473   9.577
  208   2HB   GLU  26          2HB       GLU  26 -15.775  -8.216   9.537
  209   1HG   GLU  26          1HG       GLU  26 -14.679  -8.294  11.555
  210   2HG   GLU  26          2HG       GLU  26 -13.732  -6.859  11.214
  211    H    CYS  27           H        CYS  27 -13.757  -9.689   9.181
  212    HA   CYS  27           HA       CYS  27 -11.758  -9.788  10.973
  213   1HB   CYS  27          1HB       CYS  27 -13.129 -11.693   9.877
  214   2HB   CYS  27          2HB       CYS  27 -11.849 -11.756   8.682
  215    HG   CYS  27           HG       CYS  27 -10.721 -13.393  10.007
  216    H    VAL  28           H        VAL  28 -11.410  -9.814   7.347
  217    HA   VAL  28           HA       VAL  28  -8.717  -9.907   7.129
  218    HB   VAL  28           HB       VAL  28 -10.764  -8.338   5.559
  219   1HG1  VAL  28          3HG1      VAL  28  -7.986  -7.973   5.439
  220   2HG1  VAL  28          1HG1      VAL  28  -8.374  -9.034   4.063
  221   3HG1  VAL  28          2HG1      VAL  28  -9.192  -7.463   4.234
  222   1HG2  VAL  28          3HG2      VAL  28 -10.447 -11.049   5.813
  223   2HG2  VAL  28          1HG2      VAL  28 -11.172 -10.231   4.408
  224   3HG2  VAL  28          2HG2      VAL  28  -9.455 -10.702   4.377
  225    H    ARG  29           H        ARG  29 -10.464  -6.731   6.927
  226    HA   ARG  29           HA       ARG  29  -8.299  -5.187   7.301
  227   1HB   ARG  29          1HB       ARG  29  -9.883  -3.417   8.066
  228   2HB   ARG  29          2HB       ARG  29 -10.538  -4.309   6.707
  229   1HG   ARG  29          1HG       ARG  29 -12.025  -5.580   8.117
  230   2HG   ARG  29          2HG       ARG  29 -11.178  -5.104   9.576
  231   1HD   ARG  29          1HD       ARG  29 -12.809  -3.506   9.761
  232   2HD   ARG  29          2HD       ARG  29 -11.874  -2.630   8.565
  233    HE   ARG  29           HE       ARG  29 -13.485  -4.353   7.064
  234   1HH1  ARG  29          2HH2      ARG  29 -14.049  -1.828   9.449
  235   2HH1  ARG  29          1HH2      ARG  29 -15.591  -1.380   8.798
  236   1HH2  ARG  29          2HH1      ARG  29 -15.519  -3.764   6.205
  237   2HH2  ARG  29          1HH1      ARG  29 -16.432  -2.489   6.940
  238    H    SER  30           H        SER  30 -10.101  -7.081   9.692
  239    HA   SER  30           HA       SER  30  -9.325  -5.715  11.969
  240   1HB   SER  30          1HB       SER  30 -10.654  -7.282  12.903
  241   2HB   SER  30          2HB       SER  30 -10.795  -8.045  11.332
  242    HG   SER  30           HG       SER  30  -9.204  -8.767  13.559
  243    H    ILE  31           H        ILE  31  -7.594  -7.856   9.781
  244    HA   ILE  31           HA       ILE  31  -5.637  -8.781  11.568
  245    HB   ILE  31           HB       ILE  31  -5.547  -8.384   8.576
  246   1HG1  ILE  31          1HG1      ILE  31  -6.089 -10.973  10.024
  247   2HG1  ILE  31          2HG1      ILE  31  -7.390  -9.857   9.654
  248   1HG2  ILE  31          1HG2      ILE  31  -3.586  -9.429  10.512
  249   2HG2  ILE  31          2HG2      ILE  31  -3.899 -10.485   9.115
  250   3HG2  ILE  31          3HG2      ILE  31  -3.361  -8.808   8.860
  251   1HD1  ILE  31          3HD1      ILE  31  -6.470  -9.867   7.216
  252   2HD1  ILE  31          1HD1      ILE  31  -5.549 -11.305   7.718
  253   3HD1  ILE  31          2HD1      ILE  31  -7.329 -11.320   7.780
  254    H    GLN  32           H        GLN  32  -3.806  -7.863  12.391
  255    HA   GLN  32           HA       GLN  32  -3.082  -5.276  11.261
  256   1HB   GLN  32          1HB       GLN  32  -4.365  -5.170  13.500
  257   2HB   GLN  32          2HB       GLN  32  -2.953  -5.904  14.236
  258   1HG   GLN  32          1HG       GLN  32  -1.685  -3.990  14.048
  259   2HG   GLN  32          2HG       GLN  32  -2.340  -3.583  12.474
  260   1HE2  GLN  32          2HE2      GLN  32  -4.399  -2.513  15.921
  261   2HE2  GLN  32          1HE2      GLN  32  -3.409  -3.932  15.855
  262    H    ALA  33           H        ALA  33  -0.831  -4.831  11.154
  263    HA   ALA  33           HA       ALA  33   1.019  -6.635  12.408
  264   1HB   ALA  33          1HB       ALA  33   0.096  -7.084   9.680
  265   2HB   ALA  33          2HB       ALA  33   1.843  -6.746   9.719
  266   3HB   ALA  33          3HB       ALA  33   1.173  -8.080  10.689
  267    H    ASP  34           H        ASP  34   3.071  -5.685  12.602
  268    HA   ASP  34           HA       ASP  34   3.205  -2.995  12.605
  269   1HB   ASP  34          1HB       ASP  34   4.844  -4.888  13.478
  270   2HB   ASP  34          2HB       ASP  34   5.661  -4.649  11.946
  271    H    GLY  35           H        GLY  35   4.577  -5.288  10.119
  272   1HA   GLY  35          1HA       GLY  35   5.117  -3.091   8.290
  273   2HA   GLY  35          2HA       GLY  35   5.525  -4.783   8.086
  274    H    LEU  36           H        LEU  36   2.257  -3.776   9.095
  275    HA   LEU  36           HA       LEU  36   1.317  -4.390   6.381
  276   1HB   LEU  36          1HB       LEU  36   0.999  -6.269   7.985
  277   2HB   LEU  36          2HB       LEU  36  -0.008  -5.222   8.964
  278    HG   LEU  36           HG       LEU  36  -0.935  -5.235   6.215
  279   1HD1  LEU  36          3HD1      LEU  36  -0.064  -7.810   7.300
  280   2HD1  LEU  36          1HD1      LEU  36  -1.781  -7.787   6.831
  281   3HD1  LEU  36          2HD1      LEU  36  -0.529  -7.353   5.643
  282   1HD2  LEU  36          1HD2      LEU  36  -1.990  -5.490   8.956
  283   2HD2  LEU  36          2HD2      LEU  36  -2.626  -4.603   7.550
  284   3HD2  LEU  36          3HD2      LEU  36  -2.921  -6.352   7.708
  285    H    VAL  37           H        VAL  37  -0.121  -2.945   5.510
  286    HA   VAL  37           HA       VAL  37  -1.337  -1.017   7.337
  287    HB   VAL  37           HB       VAL  37   0.495  -0.436   5.024
  288   1HG1  VAL  37          1HG1      VAL  37  -1.787   1.250   6.055
  289   2HG1  VAL  37          2HG1      VAL  37  -0.333   1.997   5.349
  290   3HG1  VAL  37          3HG1      VAL  37  -1.324   0.885   4.375
  291   1HG2  VAL  37          2HG2      VAL  37   0.376   0.202   7.945
  292   2HG2  VAL  37          3HG2      VAL  37   1.763  -0.246   6.923
  293   3HG2  VAL  37          1HG2      VAL  37   1.101   1.404   6.851
  294    H    TRP  38           H        TRP  38  -3.475  -1.422   7.055
  295    HA   TRP  38           HA       TRP  38  -4.456  -2.495   4.606
  296   1HB   TRP  38          1HB       TRP  38  -5.686  -1.607   7.197
  297   2HB   TRP  38          2HB       TRP  38  -6.695  -1.973   5.812
  298    HD1  TRP  38           HD       TRP  38  -5.494  -3.682   8.758
  299    HE1  TRP  38          1HE       TRP  38  -5.426  -6.313   8.568
  300    HE3  TRP  38          3HE       TRP  38  -5.877  -3.852   3.690
  301    HZ2  TRP  38          2HZ       TRP  38  -5.538  -8.129   6.371
  302    HZ3  TRP  38          3HZ       TRP  38  -5.890  -6.095   2.601
  303    HH2  TRP  38           HH       TRP  38  -5.730  -8.186   3.857
  304    H    GLY  39           H        GLY  39  -5.237  -1.387   2.841
  305   1HA   GLY  39          1HA       GLY  39  -5.150   1.539   2.974
  306   2HA   GLY  39          2HA       GLY  39  -5.154   0.540   1.534
  307    H    SER  40           H        SER  40  -7.277  -1.025   1.498
  308    HA   SER  40           HA       SER  40  -9.587  -0.311   2.675
  309   1HB   SER  40          1HB       SER  40  -8.789   1.806   0.961
  310   2HB   SER  40          2HB       SER  40 -10.070   0.979   0.100
  311    HG   SER  40           HG       SER  40 -11.506   1.778   1.469
  312    H    SER  41           H        SER  41 -11.123  -1.852   2.071
  313    HA   SER  41           HA       SER  41 -10.304  -3.597  -0.054
  314   1HB   SER  41          1HB       SER  41 -11.978  -5.132   0.824
  315   2HB   SER  41          2HB       SER  41 -11.054  -4.484   2.164
  316    HG   SER  41           HG       SER  41 -12.842  -3.646   2.981
  317    H    LYS  42           H        LYS  42 -12.089  -4.459  -1.591
  318    HA   LYS  42           HA       LYS  42 -14.046  -2.367  -2.187
  319   1HB   LYS  42          1HB       LYS  42 -13.430  -2.977  -4.680
  320   2HB   LYS  42          2HB       LYS  42 -12.558  -1.739  -3.800
  321   1HG   LYS  42          1HG       LYS  42 -10.699  -3.186  -3.364
  322   2HG   LYS  42          2HG       LYS  42 -11.620  -4.629  -3.739
  323   1HD   LYS  42          1HD       LYS  42 -11.023  -2.479  -5.819
  324   2HD   LYS  42          2HD       LYS  42  -9.959  -3.845  -5.542
  325   1HE   LYS  42          1HE       LYS  42 -11.751  -5.431  -6.121
  326   2HE   LYS  42          2HE       LYS  42 -12.923  -4.133  -6.227
  327   1HZ   LYS  42          3HZ       LYS  42 -10.892  -3.391  -7.880
  328   2HZ   LYS  42          1HZ       LYS  42 -11.065  -4.990  -8.158
  329   3HZ   LYS  42          2HZ       LYS  42 -12.342  -3.989  -8.333
  330    H    LEU  43           H        LEU  43 -15.804  -3.204  -3.675
  331    HA   LEU  43           HA       LEU  43 -16.162  -6.087  -3.236
  332   1HB   LEU  43          1HB       LEU  43 -17.888  -3.788  -2.559
  333   2HB   LEU  43          2HB       LEU  43 -18.701  -5.133  -3.336
  334    HG   LEU  43           HG       LEU  43 -18.926  -5.479  -1.015
  335   1HD1  LEU  43          2HD1      LEU  43 -18.152  -7.444  -2.464
  336   2HD1  LEU  43          3HD1      LEU  43 -16.576  -7.257  -1.658
  337   3HD1  LEU  43          1HD1      LEU  43 -18.030  -7.620  -0.698
  338   1HD2  LEU  43          3HD2      LEU  43 -16.515  -4.058  -0.802
  339   2HD2  LEU  43          1HD2      LEU  43 -17.535  -4.679   0.518
  340   3HD2  LEU  43          2HD2      LEU  43 -16.190  -5.664  -0.106
  341    H    VAL  44           H        VAL  44 -17.252  -7.250  -4.917
  342    HA   VAL  44           HA       VAL  44 -17.817  -5.754  -7.343
  343    HB   VAL  44           HB       VAL  44 -15.576  -7.687  -6.959
  344   1HG1  VAL  44          3HG1      VAL  44 -17.246  -7.465  -9.480
  345   2HG1  VAL  44          1HG1      VAL  44 -15.589  -8.114  -9.447
  346   3HG1  VAL  44          2HG1      VAL  44 -16.882  -8.927  -8.533
  347   1HG2  VAL  44          2HG2      VAL  44 -15.864  -4.963  -7.677
  348   2HG2  VAL  44          3HG2      VAL  44 -14.370  -5.928  -7.612
  349   3HG2  VAL  44          1HG2      VAL  44 -15.290  -5.814  -9.131
  350    HA   PRO  45           HA       PRO  45 -20.939  -8.824  -6.737
  351   1HB   PRO  45          1HB       PRO  45 -22.942  -7.479  -8.020
  352   2HB   PRO  45          2HB       PRO  45 -22.605  -7.293  -6.310
  353   1HG   PRO  45          1HG       PRO  45 -21.993  -5.442  -8.533
  354   2HG   PRO  45          2HG       PRO  45 -22.058  -5.110  -6.814
  355   1HD   PRO  45          1HD       PRO  45 -19.698  -5.438  -8.410
  356   2HD   PRO  45          2HD       PRO  45 -19.766  -5.220  -6.672
  357    H    VAL  46           H        VAL  46 -21.768 -10.531  -7.925
  358    HA   VAL  46           HA       VAL  46 -20.689 -10.521 -10.635
  359    HB   VAL  46           HB       VAL  46 -21.570 -12.651  -8.699
  360   1HG1  VAL  46          2HG1      VAL  46 -20.931 -13.013 -11.647
  361   2HG1  VAL  46          3HG1      VAL  46 -21.096 -14.329 -10.460
  362   3HG1  VAL  46          1HG1      VAL  46 -22.498 -13.305 -10.853
  363   1HG2  VAL  46          1HG2      VAL  46 -19.192 -11.510  -8.850
  364   2HG2  VAL  46          2HG2      VAL  46 -19.352 -13.264  -8.591
  365   3HG2  VAL  46          3HG2      VAL  46 -18.981 -12.635 -10.215
  366    H    GLY  47           H        GLY  47 -23.649 -11.932  -9.068
  367   1HA   GLY  47          1HA       GLY  47 -25.179 -10.954 -11.405
  368   2HA   GLY  47          2HA       GLY  47 -25.495 -12.456 -10.560
  369    H    TYR  48           H        TYR  48 -26.194 -12.345  -8.238
  370    HA   TYR  48           HA       TYR  48 -26.928  -9.878  -7.086
  371   1HB   TYR  48          1HB       TYR  48 -28.627  -9.999  -8.933
  372   2HB   TYR  48          2HB       TYR  48 -29.015 -11.652  -8.498
  373    HD1  TYR  48          1HD       TYR  48 -29.288  -8.119  -7.399
  374    HD2  TYR  48          2HD       TYR  48 -30.578 -12.147  -6.751
  375    HE1  TYR  48          1HE       TYR  48 -31.130  -7.288  -5.856
  376    HE2  TYR  48          2HE       TYR  48 -32.415 -11.303  -5.209
  377    HH   TYR  48           HH       TYR  48 -33.707  -8.866  -5.117
  378    H    GLY  49           H        GLY  49 -25.736 -11.047  -5.403
  379   1HA   GLY  49          1HA       GLY  49 -27.158 -12.035  -3.362
  380   2HA   GLY  49          2HA       GLY  49 -26.936 -13.468  -4.345
  381    H    ILE  50           H        ILE  50 -24.348 -12.967  -5.452
  382    HA   ILE  50           HA       ILE  50 -22.729 -13.015  -3.001
  383    HB   ILE  50           HB       ILE  50 -22.466 -14.581  -5.565
  384   1HG1  ILE  50          1HG1      ILE  50 -22.393 -16.400  -3.579
  385   2HG1  ILE  50          2HG1      ILE  50 -23.383 -15.184  -2.797
  386   1HG2  ILE  50          1HG2      ILE  50 -20.489 -14.089  -3.355
  387   2HG2  ILE  50          2HG2      ILE  50 -20.493 -15.631  -4.245
  388   3HG2  ILE  50          3HG2      ILE  50 -20.245 -14.099  -5.118
  389   1HD1  ILE  50          3HD1      ILE  50 -24.674 -15.160  -5.129
  390   2HD1  ILE  50          1HD1      ILE  50 -23.950 -16.778  -5.294
  391   3HD1  ILE  50          2HD1      ILE  50 -25.018 -16.417  -3.916
  392    H    LYS  51           H        LYS  51 -20.547 -12.120  -3.167
  393    HA   LYS  51           HA       LYS  51 -20.165 -10.372  -5.473
  394   1HB   LYS  51          1HB       LYS  51 -20.306  -9.494  -2.586
  395   2HB   LYS  51          2HB       LYS  51 -19.432  -8.572  -3.792
  396   1HG   LYS  51          1HG       LYS  51 -21.350  -7.768  -4.726
  397   2HG   LYS  51          2HG       LYS  51 -22.097  -9.353  -4.762
  398   1HD   LYS  51          1HD       LYS  51 -23.198  -9.030  -2.769
  399   2HD   LYS  51          2HD       LYS  51 -21.835  -8.216  -2.027
  400   1HE   LYS  51          1HE       LYS  51 -22.423  -6.104  -2.942
  401   2HE   LYS  51          2HE       LYS  51 -23.391  -6.814  -4.219
  402   1HZ   LYS  51          3HZ       LYS  51 -24.937  -7.558  -2.494
  403   2HZ   LYS  51          1HZ       LYS  51 -24.061  -6.776  -1.360
  404   3HZ   LYS  51          2HZ       LYS  51 -24.801  -5.931  -2.545
  405    H    LYS  52           H        LYS  52 -17.835  -9.395  -5.349
  406    HA   LYS  52           HA       LYS  52 -16.099 -11.649  -4.843
  407   1HB   LYS  52          1HB       LYS  52 -16.216  -9.562  -6.743
  408   2HB   LYS  52          2HB       LYS  52 -14.763  -9.273  -5.808
  409   1HG   LYS  52          1HG       LYS  52 -13.993 -11.587  -6.209
  410   2HG   LYS  52          2HG       LYS  52 -15.490 -11.975  -7.035
  411   1HD   LYS  52          1HD       LYS  52 -14.478  -9.632  -8.316
  412   2HD   LYS  52          2HD       LYS  52 -13.096 -10.686  -8.090
  413   1HE   LYS  52          1HE       LYS  52 -15.071 -12.464  -8.956
  414   2HE   LYS  52          2HE       LYS  52 -15.441 -11.015  -9.872
  415   1HZ   LYS  52          1HZ       LYS  52 -12.765 -12.221  -9.717
  416   2HZ   LYS  52          2HZ       LYS  52 -13.814 -12.458 -10.946
  417   3HZ   LYS  52          3HZ       LYS  52 -13.209 -10.967 -10.664
  418    H    LEU  53           H        LEU  53 -14.848 -11.906  -3.068
  419    HA   LEU  53           HA       LEU  53 -14.896  -9.768  -1.113
  420   1HB   LEU  53          1HB       LEU  53 -15.160 -12.462  -0.917
  421   2HB   LEU  53          2HB       LEU  53 -13.454 -12.283  -0.556
  422    HG   LEU  53           HG       LEU  53 -15.066 -12.300   1.410
  423   1HD1  LEU  53          2HD1      LEU  53 -12.722 -10.678   0.913
  424   2HD1  LEU  53          3HD1      LEU  53 -13.783  -9.914   2.121
  425   3HD1  LEU  53          1HD1      LEU  53 -13.202 -11.578   2.373
  426   1HD2  LEU  53          1HD2      LEU  53 -16.505 -10.489   0.021
  427   2HD2  LEU  53          2HD2      LEU  53 -16.571 -10.663   1.791
  428   3HD2  LEU  53          3HD2      LEU  53 -15.554  -9.399   1.058
  429    H    GLN  54           H        GLN  54 -13.590  -8.376  -2.665
  430    HA   GLN  54           HA       GLN  54 -10.812  -9.184  -2.729
  431   1HB   GLN  54          1HB       GLN  54 -12.556  -7.509  -4.389
  432   2HB   GLN  54          2HB       GLN  54 -11.068  -6.673  -3.989
  433   1HG   GLN  54          1HG       GLN  54  -9.701  -8.358  -4.983
  434   2HG   GLN  54          2HG       GLN  54 -10.984  -9.552  -4.950
  435   1HE2  GLN  54          2HE2      GLN  54 -10.330  -7.466  -8.252
  436   2HE2  GLN  54          1HE2      GLN  54  -9.232  -7.756  -6.944
  437    H    ILE  55           H        ILE  55  -9.103  -7.790  -1.908
  438    HA   ILE  55           HA       ILE  55  -9.873  -5.485  -0.371
  439    HB   ILE  55           HB       ILE  55  -9.622  -6.244   1.719
  440   1HG1  ILE  55          1HG1      ILE  55  -7.224  -6.841   1.308
  441   2HG1  ILE  55          2HG1      ILE  55  -8.034  -7.829   2.506
  442   1HG2  ILE  55          1HG2      ILE  55 -10.327  -8.770   0.212
  443   2HG2  ILE  55          2HG2      ILE  55 -10.413  -8.617   1.983
  444   3HG2  ILE  55          3HG2      ILE  55 -11.431  -7.583   0.951
  445   1HD1  ILE  55          2HD1      ILE  55  -7.688  -8.621  -0.423
  446   2HD1  ILE  55          3HD1      ILE  55  -6.650  -9.181   0.911
  447   3HD1  ILE  55          1HD1      ILE  55  -8.370  -9.636   0.871
  448    H    GLN  56           H        GLN  56  -8.061  -4.132   0.118
  449    HA   GLN  56           HA       GLN  56  -5.610  -5.063  -1.160
  450   1HB   GLN  56          1HB       GLN  56  -6.910  -3.305  -2.472
  451   2HB   GLN  56          2HB       GLN  56  -6.625  -2.189  -1.152
  452   1HG   GLN  56          1HG       GLN  56  -4.284  -2.126  -1.528
  453   2HG   GLN  56          2HG       GLN  56  -4.277  -3.656  -2.383
  454   1HE2  GLN  56          2HE2      GLN  56  -3.938  -1.752  -5.296
  455   2HE2  GLN  56          1HE2      GLN  56  -3.194  -2.793  -4.128
  456    H    CYS  57           H        CYS  57  -3.606  -4.387  -0.176
  457    HA   CYS  57           HA       CYS  57  -3.937  -3.069   2.412
  458   1HB   CYS  57          1HB       CYS  57  -3.586  -5.733   2.343
  459   2HB   CYS  57          2HB       CYS  57  -1.906  -5.249   2.222
  460    HG   CYS  57           HG       CYS  57  -3.281  -5.746   4.732
  461    H    VAL  58           H        VAL  58  -1.151  -3.130   3.087
  462    HA   VAL  58           HA       VAL  58   0.282  -2.132   0.783
  463    HB   VAL  58           HB       VAL  58  -0.284  -0.385   3.187
  464   1HG1  VAL  58          3HG1      VAL  58   1.931  -0.389   1.473
  465   2HG1  VAL  58          1HG1      VAL  58   0.892   0.926   0.875
  466   3HG1  VAL  58          2HG1      VAL  58   1.426   0.916   2.573
  467   1HG2  VAL  58          3HG2      VAL  58  -1.311  -0.283   0.337
  468   2HG2  VAL  58          1HG2      VAL  58  -2.255  -0.419   1.841
  469   3HG2  VAL  58          2HG2      VAL  58  -1.397   1.094   1.463
  470    H    VAL  59           H        VAL  59   1.194  -4.326   1.523
  471    HA   VAL  59           HA       VAL  59   2.725  -4.193   3.966
  472    HB   VAL  59           HB       VAL  59   3.192  -6.471   3.578
  473   1HG1  VAL  59          3HG1      VAL  59   0.391  -5.657   2.820
  474   2HG1  VAL  59          1HG1      VAL  59   0.851  -7.375   2.890
  475   3HG1  VAL  59          2HG1      VAL  59   0.993  -6.355   4.343
  476   1HG2  VAL  59          1HG2      VAL  59   2.989  -5.728   0.776
  477   2HG2  VAL  59          2HG2      VAL  59   3.780  -7.135   1.527
  478   3HG2  VAL  59          3HG2      VAL  59   2.048  -7.198   1.125
  479    H    GLU  60           H        GLU  60   5.128  -5.119   3.681
  480    HA   GLU  60           HA       GLU  60   6.382  -3.166   2.004
  481   1HB   GLU  60          1HB       GLU  60   7.011  -4.509   4.448
  482   2HB   GLU  60          2HB       GLU  60   8.258  -4.957   3.302
  483   1HG   GLU  60          1HG       GLU  60   7.385  -2.062   3.676
  484   2HG   GLU  60          2HG       GLU  60   8.632  -2.787   4.673
  485    H    ASP  61           H        ASP  61   8.544  -4.007   0.849
  486    HA   ASP  61           HA       ASP  61   7.668  -6.279  -0.739
  487   1HB   ASP  61          1HB       ASP  61   8.343  -3.805  -1.607
  488   2HB   ASP  61          2HB       ASP  61   9.951  -4.500  -1.573
  489    H    ASP  62           H        ASP  62   9.491  -5.689   1.918
  490    HA   ASP  62           HA       ASP  62  11.246  -7.868   1.336
  491   1HB   ASP  62          1HB       ASP  62  12.431  -5.655   0.664
  492   2HB   ASP  62          2HB       ASP  62  12.441  -5.264   2.373
  493    H    LYS  63           H        LYS  63   8.910  -7.043   3.113
  494    HA   LYS  63           HA       LYS  63  10.239  -7.495   5.692
  495   1HB   LYS  63          1HB       LYS  63   9.100  -5.140   5.106
  496   2HB   LYS  63          2HB       LYS  63   7.659  -5.997   5.616
  497   1HG   LYS  63          1HG       LYS  63   8.273  -5.516   7.752
  498   2HG   LYS  63          2HG       LYS  63   9.527  -6.727   7.566
  499   1HD   LYS  63          1HD       LYS  63  10.859  -4.706   6.414
  500   2HD   LYS  63          2HD       LYS  63   9.742  -3.722   7.340
  501   1HE   LYS  63          1HE       LYS  63  11.310  -5.977   8.653
  502   2HE   LYS  63          2HE       LYS  63  12.010  -4.382   8.457
  503   1HZ   LYS  63          2HZ       LYS  63   9.384  -4.732   9.696
  504   2HZ   LYS  63          3HZ       LYS  63  10.757  -4.854  10.570
  505   3HZ   LYS  63          1HZ       LYS  63  10.396  -3.455   9.810
  506    H    VAL  64           H        VAL  64   6.794  -7.385   4.578
  507    HA   VAL  64           HA       VAL  64   6.636 -10.227   5.307
  508    HB   VAL  64           HB       VAL  64   5.631  -8.545   6.937
  509   1HG1  VAL  64          3HG1      VAL  64   3.739  -8.199   4.599
  510   2HG1  VAL  64          1HG1      VAL  64   3.275  -7.832   6.278
  511   3HG1  VAL  64          2HG1      VAL  64   4.615  -6.945   5.510
  512   1HG2  VAL  64          2HG2      VAL  64   4.936 -11.104   6.285
  513   2HG2  VAL  64          3HG2      VAL  64   4.252 -10.184   7.647
  514   3HG2  VAL  64          1HG2      VAL  64   3.378 -10.262   6.098
  515    H    GLY  65           H        GLY  65   4.664 -11.303   4.233
  516   1HA   GLY  65          1HA       GLY  65   4.041 -10.071   1.634
  517   2HA   GLY  65          2HA       GLY  65   4.760 -11.668   1.683
  518    H    THR  66           H        THR  66   2.466 -11.834   0.468
  519    HA   THR  66           HA       THR  66   0.212 -12.005   2.232
  520    HB   THR  66           HB       THR  66   0.734 -12.793  -0.680
  521    HG1  THR  66          1HG       THR  66  -0.415 -10.611   0.884
  522   1HG2  THR  66          1HG2      THR  66  -1.753 -12.902   1.063
  523   2HG2  THR  66          2HG2      THR  66  -1.899 -12.471  -0.659
  524   3HG2  THR  66          3HG2      THR  66  -1.222 -14.049  -0.191
  525    H    ASP  67           H        ASP  67   1.897 -13.433   3.642
  526    HA   ASP  67           HA       ASP  67   1.364 -16.190   2.869
  527   1HB   ASP  67          1HB       ASP  67   3.157 -16.378   4.939
  528   2HB   ASP  67          2HB       ASP  67   3.614 -16.333   3.247
  529    H    MET  68           H        MET  68   1.988 -14.242   5.897
  530    HA   MET  68           HA       MET  68   0.517 -15.918   7.532
  531   1HB   MET  68          1HB       MET  68   2.185 -13.712   7.830
  532   2HB   MET  68          2HB       MET  68   0.636 -13.012   8.257
  533   1HG   MET  68          1HG       MET  68   1.917 -15.476   9.534
  534   2HG   MET  68          2HG       MET  68   1.727 -13.903  10.279
  535   1HE   MET  68          1HE       MET  68  -0.395 -12.687   9.966
  536   2HE   MET  68          2HE       MET  68  -2.009 -13.399   9.725
  537   3HE   MET  68          3HE       MET  68  -1.330 -13.269  11.365
  538    H    LEU  69           H        LEU  69  -0.386 -12.957   5.696
  539    HA   LEU  69           HA       LEU  69  -2.877 -12.552   6.849
  540   1HB   LEU  69          1HB       LEU  69  -1.628 -11.870   4.213
  541   2HB   LEU  69          2HB       LEU  69  -3.327 -11.541   4.485
  542    HG   LEU  69           HG       LEU  69  -0.992 -10.433   6.064
  543   1HD1  LEU  69          3HD1      LEU  69  -2.470  -9.517   3.733
  544   2HD1  LEU  69          1HD1      LEU  69  -2.539  -8.345   5.070
  545   3HD1  LEU  69          2HD1      LEU  69  -0.964  -8.900   4.452
  546   1HD2  LEU  69          3HD2      LEU  69  -3.759 -10.772   6.839
  547   2HD2  LEU  69          1HD2      LEU  69  -2.374 -10.167   7.781
  548   3HD2  LEU  69          2HD2      LEU  69  -3.321  -9.048   6.771
  549    H    GLU  70           H        GLU  70  -1.945 -14.468   3.912
  550    HA   GLU  70           HA       GLU  70  -4.458 -15.292   3.259
  551   1HB   GLU  70          1HB       GLU  70  -2.411 -15.631   1.876
  552   2HB   GLU  70          2HB       GLU  70  -1.851 -16.856   2.997
  553   1HG   GLU  70          1HG       GLU  70  -4.097 -18.079   2.547
  554   2HG   GLU  70          2HG       GLU  70  -4.315 -16.968   1.210
  555    H    GLU  71           H        GLU  71  -2.023 -17.039   5.325
  556    HA   GLU  71           HA       GLU  71  -3.695 -19.131   5.965
  557   1HB   GLU  71          1HB       GLU  71  -1.358 -17.904   7.488
  558   2HB   GLU  71          2HB       GLU  71  -2.120 -19.411   7.955
  559   1HG   GLU  71          1HG       GLU  71  -1.339 -19.217   5.074
  560   2HG   GLU  71          2HG       GLU  71  -0.005 -19.236   6.210
  561    H    GLN  72           H        GLN  72  -3.912 -15.820   6.832
  562    HA   GLN  72           HA       GLN  72  -5.281 -16.424   9.309
  563   1HB   GLN  72          1HB       GLN  72  -3.653 -14.580   9.343
  564   2HB   GLN  72          2HB       GLN  72  -4.481 -13.776   8.024
  565   1HG   GLN  72          1HG       GLN  72  -6.052 -12.879   9.413
  566   2HG   GLN  72          2HG       GLN  72  -6.327 -14.406  10.227
  567   1HE2  GLN  72          2HE2      GLN  72  -5.002 -11.989  12.699
  568   2HE2  GLN  72          1HE2      GLN  72  -6.374 -12.121  11.650
  569    H    ILE  73           H        ILE  73  -5.810 -14.863   6.088
  570    HA   ILE  73           HA       ILE  73  -8.574 -14.396   6.620
  571    HB   ILE  73           HB       ILE  73  -7.091 -14.357   3.992
  572   1HG1  ILE  73          1HG1      ILE  73  -7.593 -11.869   5.569
  573   2HG1  ILE  73          2HG1      ILE  73  -6.277 -12.905   6.082
  574   1HG2  ILE  73          2HG2      ILE  73  -9.734 -13.218   4.911
  575   2HG2  ILE  73          3HG2      ILE  73  -8.880 -12.639   3.460
  576   3HG2  ILE  73          1HG2      ILE  73  -9.412 -14.334   3.563
  577   1HD1  ILE  73          3HD1      ILE  73  -6.658 -11.807   3.258
  578   2HD1  ILE  73          1HD1      ILE  73  -5.486 -11.211   4.457
  579   3HD1  ILE  73          2HD1      ILE  73  -5.316 -12.850   3.786
  580    H    THR  74           H        THR  74  -6.766 -16.655   4.418
  581    HA   THR  74           HA       THR  74  -9.103 -18.124   3.774
  582    HB   THR  74           HB       THR  74  -7.555 -19.458   2.504
  583    HG1  THR  74          1HG       THR  74  -6.046 -20.057   4.098
  584   1HG2  THR  74          1HG2      THR  74  -7.429 -16.782   2.149
  585   2HG2  THR  74          2HG2      THR  74  -5.780 -17.031   2.770
  586   3HG2  THR  74          3HG2      THR  74  -6.314 -17.878   1.298
  587    H    ALA  75           H        ALA  75  -7.353 -17.896   6.665
  588    HA   ALA  75           HA       ALA  75  -7.215 -20.526   7.514
  589   1HB   ALA  75          2HB       ALA  75  -6.816 -17.925   8.558
  590   2HB   ALA  75          3HB       ALA  75  -7.970 -18.720   9.656
  591   3HB   ALA  75          1HB       ALA  75  -6.393 -19.475   9.322
  592    H    PHE  76           H        PHE  76  -9.969 -18.492   6.838
  593    HA   PHE  76           HA       PHE  76 -11.699 -20.221   8.430
  594   1HB   PHE  76          1HB       PHE  76 -11.642 -17.434   7.373
  595   2HB   PHE  76          2HB       PHE  76 -13.185 -18.211   7.085
  596    HD1  PHE  76          2HD       PHE  76 -13.684 -19.797   9.427
  597    HD2  PHE  76          1HD       PHE  76 -11.847 -15.982   9.149
  598    HE1  PHE  76          2HE       PHE  76 -14.380 -19.290  11.785
  599    HE2  PHE  76          1HE       PHE  76 -12.544 -15.475  11.506
  600    HZ   PHE  76           HZ       PHE  76 -13.802 -17.134  12.795
  601    H    GLU  77           H        GLU  77 -11.765 -22.127   7.158
  602    HA   GLU  77           HA       GLU  77 -12.294 -21.904   4.375
  603   1HB   GLU  77          1HB       GLU  77 -11.475 -23.964   6.246
  604   2HB   GLU  77          2HB       GLU  77 -12.817 -24.562   5.290
  605   1HG   GLU  77          1HG       GLU  77 -10.636 -23.087   3.829
  606   2HG   GLU  77          2HG       GLU  77 -10.257 -24.690   4.425
  607    H    ASP  78           H        ASP  78 -14.195 -21.432   7.092
  608    HA   ASP  78           HA       ASP  78 -16.519 -22.722   5.965
  609   1HB   ASP  78          1HB       ASP  78 -15.743 -21.557   8.613
  610   2HB   ASP  78          2HB       ASP  78 -17.432 -21.385   8.183
  611    H    TYR  79           H        TYR  79 -14.942 -20.149   5.014
  612    HA   TYR  79           HA       TYR  79 -17.336 -18.579   4.529
  613   1HB   TYR  79          1HB       TYR  79 -14.742 -17.713   5.935
  614   2HB   TYR  79          2HB       TYR  79 -15.788 -16.533   5.172
  615    HD1  TYR  79          1HD       TYR  79 -15.603 -19.057   7.888
  616    HD2  TYR  79          2HD       TYR  79 -17.788 -15.769   6.239
  617    HE1  TYR  79          1HE       TYR  79 -16.999 -18.913  10.007
  618    HE2  TYR  79          2HE       TYR  79 -19.178 -15.636   8.364
  619    HH   TYR  79           HH       TYR  79 -19.471 -18.000  10.474
  620    H    VAL  80           H        VAL  80 -13.772 -18.997   4.076
  621    HA   VAL  80           HA       VAL  80 -13.902 -17.605   1.551
  622    HB   VAL  80           HB       VAL  80 -11.729 -18.916   3.173
  623   1HG1  VAL  80          2HG1      VAL  80 -11.663 -17.983   0.316
  624   2HG1  VAL  80          3HG1      VAL  80 -10.224 -17.784   1.345
  625   3HG1  VAL  80          1HG1      VAL  80 -10.902 -19.406   1.067
  626   1HG2  VAL  80          1HG2      VAL  80 -12.507 -16.085   2.488
  627   2HG2  VAL  80          2HG2      VAL  80 -12.200 -16.817   4.082
  628   3HG2  VAL  80          3HG2      VAL  80 -10.844 -16.484   2.978
  629    H    GLN  81           H        GLN  81 -14.252 -18.539  -0.403
  630    HA   GLN  81           HA       GLN  81 -14.648 -21.374  -0.414
  631   1HB   GLN  81          1HB       GLN  81 -16.238 -19.817  -1.545
  632   2HB   GLN  81          2HB       GLN  81 -14.967 -19.312  -2.640
  633   1HG   GLN  81          1HG       GLN  81 -14.779 -21.986  -3.036
  634   2HG   GLN  81          2HG       GLN  81 -16.455 -21.925  -2.527
  635   1HE2  GLN  81          2HE2      GLN  81 -15.822 -21.392  -6.293
  636   2HE2  GLN  81          1HE2      GLN  81 -15.062 -22.435  -5.138
  637    H    SER  82           H        SER  82 -12.381 -18.935  -1.752
  638    HA   SER  82           HA       SER  82 -10.300 -20.714  -1.890
  639   1HB   SER  82          1HB       SER  82 -10.122 -20.706  -4.513
  640   2HB   SER  82          2HB       SER  82 -11.119 -21.911  -3.722
  641    HG   SER  82           HG       SER  82 -11.913 -19.582  -5.190
  642    H    MET  83           H        MET  83  -8.841 -19.143  -1.285
  643    HA   MET  83           HA       MET  83  -9.139 -16.487  -2.217
  644   1HB   MET  83          1HB       MET  83  -8.247 -16.899   0.025
  645   2HB   MET  83          2HB       MET  83  -7.017 -17.983  -0.595
  646   1HG   MET  83          1HG       MET  83  -7.066 -15.119  -1.579
  647   2HG   MET  83          2HG       MET  83  -6.415 -15.455   0.013
  648   1HE   MET  83          2HE       MET  83  -4.295 -15.245   0.194
  649   2HE   MET  83          3HE       MET  83  -2.959 -15.928  -0.764
  650   3HE   MET  83          1HE       MET  83  -3.808 -14.470  -1.334
  651    H    ASP  84           H        ASP  84  -7.532 -15.246  -3.456
  652    HA   ASP  84           HA       ASP  84  -5.615 -16.828  -4.902
  653   1HB   ASP  84          1HB       ASP  84  -8.074 -15.579  -6.095
  654   2HB   ASP  84          2HB       ASP  84  -6.588 -15.389  -7.005
  655    H    VAL  85           H        VAL  85  -4.756 -14.930  -6.765
  656    HA   VAL  85           HA       VAL  85  -4.285 -12.542  -5.117
  657    HB   VAL  85           HB       VAL  85  -2.401 -13.952  -7.017
  658   1HG1  VAL  85          3HG1      VAL  85  -2.028 -11.467  -5.311
  659   2HG1  VAL  85          1HG1      VAL  85  -0.716 -12.330  -6.150
  660   3HG1  VAL  85          2HG1      VAL  85  -2.020 -11.562  -7.089
  661   1HG2  VAL  85          2HG2      VAL  85  -3.014 -14.497  -4.302
  662   2HG2  VAL  85          3HG2      VAL  85  -1.699 -15.175  -5.291
  663   3HG2  VAL  85          1HG2      VAL  85  -1.418 -13.708  -4.323
  664    H    ALA  86           H        ALA  86  -4.631 -10.561  -6.080
  665    HA   ALA  86           HA       ALA  86  -5.759 -10.687  -8.769
  666   1HB   ALA  86          3HB       ALA  86  -6.692  -9.535  -6.490
  667   2HB   ALA  86          1HB       ALA  86  -5.795  -8.165  -7.188
  668   3HB   ALA  86          2HB       ALA  86  -7.091  -8.950  -8.122
  669    H    ALA  87           H        ALA  87  -2.945  -9.649  -6.936
  670    HA   ALA  87           HA       ALA  87  -1.385  -9.214  -9.151
  671   1HB   ALA  87          3HB       ALA  87  -3.062  -6.883  -8.389
  672   2HB   ALA  87          1HB       ALA  87  -1.331  -6.536  -8.618
  673   3HB   ALA  87          2HB       ALA  87  -2.273  -7.268  -9.937
  674    H    PHE  88           H        PHE  88   0.757  -8.184  -8.524
  675    HA   PHE  88           HA       PHE  88   1.146  -7.818  -5.695
  676   1HB   PHE  88          1HB       PHE  88   1.349 -10.387  -6.822
  677   2HB   PHE  88          2HB       PHE  88   2.999  -9.813  -6.949
  678    HD1  PHE  88          2HD       PHE  88   3.827  -8.591  -4.670
  679    HD2  PHE  88          1HD       PHE  88   0.836 -11.590  -4.933
  680    HE1  PHE  88          2HE       PHE  88   4.223  -9.197  -2.267
  681    HE2  PHE  88          1HE       PHE  88   1.232 -12.195  -2.530
  682    HZ   PHE  88           HZ       PHE  88   2.921 -10.992  -1.225
  683    H    ASN  89           H        ASN  89   1.907  -5.723  -6.212
  684    HA   ASN  89           HA       ASN  89   4.589  -5.742  -7.208
  685   1HB   ASN  89          1HB       ASN  89   2.322  -4.233  -8.596
  686   2HB   ASN  89          2HB       ASN  89   3.996  -3.743  -8.771
  687   1HD2  ASN  89          2HD2      ASN  89   5.051  -6.596 -10.635
  688   2HD2  ASN  89          1HD2      ASN  89   5.547  -5.436  -9.448
  689    H    LYS  90           H        LYS  90   5.172  -3.067  -7.304
  690    HA   LYS  90           HA       LYS  90   4.577  -2.210  -4.616
  691   1HB   LYS  90          1HB       LYS  90   6.186  -0.302  -5.419
  692   2HB   LYS  90          2HB       LYS  90   6.808  -1.895  -5.039
  693   1HG   LYS  90          1HG       LYS  90   7.055  -2.493  -7.327
  694   2HG   LYS  90          2HG       LYS  90   5.921  -1.272  -7.871
  695   1HD   LYS  90          1HD       LYS  90   7.666   0.446  -6.876
  696   2HD   LYS  90          2HD       LYS  90   8.785  -0.901  -6.938
  697   1HE   LYS  90          1HE       LYS  90   9.001  -0.752  -9.205
  698   2HE   LYS  90          2HE       LYS  90   7.266  -0.671  -9.445
  699   1HZ   LYS  90          2HZ       LYS  90   7.527   1.697  -8.591
  700   2HZ   LYS  90          3HZ       LYS  90   9.118   1.520  -8.914
  701   3HZ   LYS  90          1HZ       LYS  90   8.021   1.375 -10.115
  702    H    ILE  91           H        ILE  91   3.685  -0.199  -4.073
  703    HA   ILE  91           HA       ILE  91   2.174   1.184  -6.220
  704    HB   ILE  91           HB       ILE  91   1.043   0.117  -3.604
  705   1HG1  ILE  91          1HG1      ILE  91   0.641  -0.495  -6.547
  706   2HG1  ILE  91          2HG1      ILE  91   1.002  -1.621  -5.215
  707   1HG2  ILE  91          3HG2      ILE  91   0.415   2.532  -4.787
  708   2HG2  ILE  91          1HG2      ILE  91  -0.745   1.429  -5.564
  709   3HG2  ILE  91          2HG2      ILE  91  -0.701   1.568  -3.790
  710   1HD1  ILE  91          1HD1      ILE  91  -1.371  -0.351  -4.424
  711   2HD1  ILE  91          2HD1      ILE  91  -1.584  -0.630  -6.170
  712   3HD1  ILE  91          3HD1      ILE  91  -1.225  -1.997  -5.087
   
  No H/Q in entry =         712
  Start of MODEL    7
    1   1H    MET   1           H        MET   1  11.750   4.415  10.498
    2   2H    MET   1          2HN       MET   1  13.246   4.568  11.193
    3   3H    MET   1          3HN       MET   1  13.097   4.539   9.544
    4    HA   MET   1           HA       MET   1  13.828   2.463   9.977
    5   1HB   MET   1          1HB       MET   1  12.111   2.795  12.437
    6   2HB   MET   1          2HB       MET   1  12.585   1.172  11.882
    7   1HG   MET   1          1HG       MET   1  14.934   1.770  11.976
    8   2HG   MET   1          2HG       MET   1  14.534   3.454  12.354
    9   1HE   MET   1          3HE       MET   1  16.349   1.096  13.447
   10   2HE   MET   1          1HE       MET   1  16.640   2.413  14.610
   11   3HE   MET   1          2HE       MET   1  16.137   0.807  15.191
   12    H    LEU   2           H        LEU   2  11.743   3.618   8.238
   13    HA   LEU   2           HA       LEU   2  10.492   1.166   7.535
   14   1HB   LEU   2          1HB       LEU   2   9.074   2.006   9.443
   15   2HB   LEU   2          2HB       LEU   2   8.647   3.377   8.438
   16    HG   LEU   2           HG       LEU   2   8.104   1.188   6.805
   17   1HD1  LEU   2          3HD1      LEU   2   8.416  -0.317   8.731
   18   2HD1  LEU   2          1HD1      LEU   2   7.140   0.560   9.609
   19   3HD1  LEU   2          2HD1      LEU   2   6.745  -0.331   8.120
   20   1HD2  LEU   2          3HD2      LEU   2   6.586   3.229   8.309
   21   2HD2  LEU   2          1HD2      LEU   2   6.517   2.769   6.591
   22   3HD2  LEU   2          2HD2      LEU   2   5.658   1.794   7.807
   23    H    VAL   3           H        VAL   3  10.922   1.207   5.397
   24    HA   VAL   3           HA       VAL   3   9.964   3.453   3.868
   25    HB   VAL   3           HB       VAL   3  12.896   2.710   3.931
   26   1HG1  VAL   3          2HG1      VAL   3  11.320   4.514   2.077
   27   2HG1  VAL   3          3HG1      VAL   3  13.084   4.639   2.282
   28   3HG1  VAL   3          1HG1      VAL   3  12.365   3.136   1.656
   29   1HG2  VAL   3          2HG2      VAL   3  11.405   5.217   4.766
   30   2HG2  VAL   3          3HG2      VAL   3  12.372   4.132   5.794
   31   3HG2  VAL   3          1HG2      VAL   3  13.171   5.132   4.556
   32    H    ALA   4           H        ALA   4  10.327   2.954   1.428
   33    HA   ALA   4           HA       ALA   4   9.865   1.596  -0.258
   34   1HB   ALA   4          3HB       ALA   4  12.243   0.858   0.547
   35   2HB   ALA   4          1HB       ALA   4  11.409  -0.609   1.114
   36   3HB   ALA   4          2HB       ALA   4  11.365  -0.170  -0.611
   37    H    LYS   5           H        LYS   5   7.586   1.584   0.327
   38    HA   LYS   5           HA       LYS   5   6.729  -0.800   1.776
   39   1HB   LYS   5          1HB       LYS   5   5.419   1.830   1.098
   40   2HB   LYS   5          2HB       LYS   5   4.461   0.444   1.579
   41   1HG   LYS   5          1HG       LYS   5   6.852   1.337   3.234
   42   2HG   LYS   5          2HG       LYS   5   5.285   2.095   3.438
   43   1HD   LYS   5          1HD       LYS   5   5.014  -0.821   3.399
   44   2HD   LYS   5          2HD       LYS   5   6.178  -0.330   4.613
   45   1HE   LYS   5          1HE       LYS   5   4.077   1.527   4.908
   46   2HE   LYS   5          2HE       LYS   5   3.254   0.014   4.590
   47   1HZ   LYS   5          2HZ       LYS   5   5.413   0.193   6.559
   48   2HZ   LYS   5          3HZ       LYS   5   3.860   0.509   6.955
   49   3HZ   LYS   5          1HZ       LYS   5   4.278  -0.973   6.409
   50    H    SER   6           H        SER   6   4.496  -1.682   0.806
   51    HA   SER   6           HA       SER   6   4.500  -1.611  -2.053
   52   1HB   SER   6          1HB       SER   6   5.789  -3.783  -0.588
   53   2HB   SER   6          2HB       SER   6   4.429  -4.398  -1.505
   54    HG   SER   6           HG       SER   6   6.563  -4.287  -2.650
   55    H    SER   7           H        SER   7   2.636  -3.184  -2.870
   56    HA   SER   7           HA       SER   7   0.636  -3.513  -0.806
   57   1HB   SER   7          1HB       SER   7   0.127  -1.303  -1.692
   58   2HB   SER   7          2HB       SER   7   0.259  -1.871  -3.345
   59    HG   SER   7           HG       SER   7  -1.672  -2.969  -1.497
   60    H    ILE   8           H        ILE   8  -0.997  -5.119  -1.371
   61    HA   ILE   8           HA       ILE   8  -0.602  -6.469  -3.921
   62    HB   ILE   8           HB       ILE   8  -0.156  -7.681  -1.211
   63   1HG1  ILE   8          1HG1      ILE   8   1.568  -8.737  -3.167
   64   2HG1  ILE   8          2HG1      ILE   8   1.462  -7.024  -3.526
   65   1HG2  ILE   8          2HG2      ILE   8  -1.415  -8.939  -3.584
   66   2HG2  ILE   8          3HG2      ILE   8  -0.120  -9.861  -2.784
   67   3HG2  ILE   8          1HG2      ILE   8  -1.547  -9.341  -1.855
   68   1HD1  ILE   8          2HD1      ILE   8   1.781  -7.801  -0.638
   69   2HD1  ILE   8          3HD1      ILE   8   3.192  -7.982  -1.706
   70   3HD1  ILE   8          1HD1      ILE   8   2.424  -6.388  -1.509
   71    H    LEU   9           H        LEU   9  -2.535  -6.905  -4.850
   72    HA   LEU   9           HA       LEU   9  -4.886  -6.543  -3.166
   73   1HB   LEU   9          1HB       LEU   9  -4.591  -5.209  -5.233
   74   2HB   LEU   9          2HB       LEU   9  -4.629  -6.689  -6.172
   75    HG   LEU   9           HG       LEU   9  -6.957  -7.047  -4.998
   76   1HD1  LEU   9          1HD1      LEU   9  -6.559  -5.025  -3.506
   77   2HD1  LEU   9          2HD1      LEU   9  -6.866  -4.028  -4.948
   78   3HD1  LEU   9          3HD1      LEU   9  -8.133  -5.117  -4.332
   79   1HD2  LEU   9          3HD2      LEU   9  -6.305  -5.252  -7.325
   80   2HD2  LEU   9          1HD2      LEU   9  -6.928  -6.919  -7.321
   81   3HD2  LEU   9          2HD2      LEU   9  -7.989  -5.571  -6.848
   82    H    LEU  10           H        LEU  10  -6.396  -8.152  -2.782
   83    HA   LEU  10           HA       LEU  10  -5.761 -10.763  -3.965
   84   1HB   LEU  10          1HB       LEU  10  -5.726  -9.951  -1.202
   85   2HB   LEU  10          2HB       LEU  10  -6.962 -11.168  -1.449
   86    HG   LEU  10           HG       LEU  10  -5.112 -12.518  -2.663
   87   1HD1  LEU  10          2HD1      LEU  10  -3.565 -10.250  -1.520
   88   2HD1  LEU  10          3HD1      LEU  10  -2.860 -11.877  -1.364
   89   3HD1  LEU  10          1HD1      LEU  10  -3.268 -11.235  -2.973
   90   1HD2  LEU  10          1HD2      LEU  10  -5.825 -12.237   0.134
   91   2HD2  LEU  10          2HD2      LEU  10  -5.500 -13.702  -0.824
   92   3HD2  LEU  10          3HD2      LEU  10  -4.155 -12.822  -0.059
   93    H    ASP  11           H        ASP  11  -7.671 -12.260  -4.019
   94    HA   ASP  11           HA       ASP  11 -10.192 -10.868  -3.879
   95   1HB   ASP  11          1HB       ASP  11  -8.954 -10.957  -6.302
   96   2HB   ASP  11          2HB       ASP  11  -9.727 -12.529  -6.341
   97    H    VAL  12           H        VAL  12 -10.951 -12.322  -2.264
   98    HA   VAL  12           HA       VAL  12 -10.688 -15.180  -2.845
   99    HB   VAL  12           HB       VAL  12 -11.405 -13.714  -0.297
  100   1HG1  VAL  12          3HG1      VAL  12 -10.900 -16.662  -0.824
  101   2HG1  VAL  12          1HG1      VAL  12 -11.067 -15.924   0.786
  102   3HG1  VAL  12          2HG1      VAL  12 -12.440 -15.911  -0.345
  103   1HG2  VAL  12          1HG2      VAL  12  -8.824 -14.683  -1.451
  104   2HG2  VAL  12          2HG2      VAL  12  -9.167 -13.256  -0.442
  105   3HG2  VAL  12          3HG2      VAL  12  -9.079 -14.871   0.301
  106    H    LYS  13           H        LYS  13 -12.565 -16.567  -2.695
  107    HA   LYS  13           HA       LYS  13 -15.041 -15.073  -3.204
  108   1HB   LYS  13          1HB       LYS  13 -13.756 -16.834  -4.868
  109   2HB   LYS  13          2HB       LYS  13 -14.892 -17.895  -4.059
  110   1HG   LYS  13          1HG       LYS  13 -16.721 -16.914  -5.043
  111   2HG   LYS  13          2HG       LYS  13 -16.070 -15.294  -4.881
  112   1HD   LYS  13          1HD       LYS  13 -14.780 -15.473  -6.878
  113   2HD   LYS  13          2HD       LYS  13 -14.855 -17.224  -6.884
  114   1HE   LYS  13          1HE       LYS  13 -17.542 -16.592  -7.007
  115   2HE   LYS  13          2HE       LYS  13 -16.847 -15.239  -7.878
  116   1HZ   LYS  13          1HZ       LYS  13 -16.168 -18.033  -8.465
  117   2HZ   LYS  13          2HZ       LYS  13 -17.347 -17.214  -9.242
  118   3HZ   LYS  13          3HZ       LYS  13 -15.796 -16.719  -9.359
  119    HA   PRO  14           HA       PRO  14 -16.565 -16.882   0.418
  120   1HB   PRO  14          1HB       PRO  14 -19.221 -16.304   0.130
  121   2HB   PRO  14          2HB       PRO  14 -18.049 -15.149   0.732
  122   1HG   PRO  14          1HG       PRO  14 -19.336 -15.269  -1.926
  123   2HG   PRO  14          2HG       PRO  14 -18.512 -13.922  -1.165
  124   1HD   PRO  14          1HD       PRO  14 -17.481 -15.614  -3.238
  125   2HD   PRO  14          2HD       PRO  14 -16.617 -14.343  -2.397
  126    H    TRP  15           H        TRP  15 -17.925 -18.583   1.344
  127    HA   TRP  15           HA       TRP  15 -17.890 -20.790  -0.459
  128   1HB   TRP  15          1HB       TRP  15 -18.291 -20.321   2.412
  129   2HB   TRP  15          2HB       TRP  15 -19.271 -21.620   1.764
  130    HD1  TRP  15           HD       TRP  15 -16.150 -21.386   3.451
  131    HE1  TRP  15          1HE       TRP  15 -14.384 -23.260   2.871
  132    HE3  TRP  15          3HE       TRP  15 -18.394 -22.908  -0.852
  133    HZ2  TRP  15          2HZ       TRP  15 -14.129 -25.125   0.726
  134    HZ3  TRP  15          3HZ       TRP  15 -17.322 -24.761  -2.129
  135    HH2  TRP  15           HH       TRP  15 -15.263 -25.860  -1.403
  136    H    ASP  16           H        ASP  16 -20.306 -18.526   0.931
  137    HA   ASP  16           HA       ASP  16 -22.089 -19.210  -1.168
  138   1HB   ASP  16          1HB       ASP  16 -22.443 -20.311   1.551
  139   2HB   ASP  16          2HB       ASP  16 -23.836 -19.386   1.027
  140    H    ASP  17           H        ASP  17 -24.354 -17.891  -0.535
  141    HA   ASP  17           HA       ASP  17 -23.606 -15.249  -0.410
  142   1HB   ASP  17          1HB       ASP  17 -25.701 -15.575  -1.383
  143   2HB   ASP  17          2HB       ASP  17 -26.175 -16.790  -0.212
  144    H    GLU  18           H        GLU  18 -24.603 -17.628   2.075
  145    HA   GLU  18           HA       GLU  18 -25.246 -15.906   4.110
  146   1HB   GLU  18          1HB       GLU  18 -24.726 -17.829   5.617
  147   2HB   GLU  18          2HB       GLU  18 -25.695 -18.302   4.235
  148   1HG   GLU  18          1HG       GLU  18 -23.590 -19.045   3.054
  149   2HG   GLU  18          2HG       GLU  18 -22.669 -18.642   4.489
  150    H    THR  19           H        THR  19 -22.095 -16.877   2.791
  151    HA   THR  19           HA       THR  19 -20.363 -16.390   4.814
  152    HB   THR  19           HB       THR  19 -20.177 -15.549   1.872
  153    HG1  THR  19          1HG       THR  19 -19.552 -17.908   3.502
  154   1HG2  THR  19          3HG2      THR  19 -18.108 -15.959   4.074
  155   2HG2  THR  19          1HG2      THR  19 -17.697 -16.235   2.365
  156   3HG2  THR  19          2HG2      THR  19 -18.220 -14.621   2.904
  157    H    ASP  20           H        ASP  20 -20.764 -14.884   6.371
  158    HA   ASP  20           HA       ASP  20 -21.878 -12.473   6.066
  159   1HB   ASP  20          1HB       ASP  20 -20.701 -13.810   8.127
  160   2HB   ASP  20          2HB       ASP  20 -19.469 -12.593   7.859
  161    H    MET  21           H        MET  21 -21.246 -11.250   4.205
  162    HA   MET  21           HA       MET  21 -18.625 -10.981   3.366
  163   1HB   MET  21          1HB       MET  21 -21.269  -9.623   2.888
  164   2HB   MET  21          2HB       MET  21 -19.855  -8.704   2.412
  165   1HG   MET  21          1HG       MET  21 -19.678 -11.525   1.556
  166   2HG   MET  21          2HG       MET  21 -21.097 -10.728   0.907
  167   1HE   MET  21          2HE       MET  21 -18.203 -11.843  -0.431
  168   2HE   MET  21          3HE       MET  21 -19.650 -11.447  -1.390
  169   3HE   MET  21          1HE       MET  21 -18.085 -10.698  -1.789
  170    H    ALA  22           H        ALA  22 -20.557  -9.187   5.767
  171    HA   ALA  22           HA       ALA  22 -18.825  -6.957   5.929
  172   1HB   ALA  22          2HB       ALA  22 -21.163  -8.085   7.390
  173   2HB   ALA  22          3HB       ALA  22 -20.098  -7.012   8.329
  174   3HB   ALA  22          1HB       ALA  22 -20.857  -6.423   6.829
  175    H    LYS  23           H        LYS  23 -19.022 -10.161   7.538
  176    HA   LYS  23           HA       LYS  23 -16.999  -9.520   9.439
  177   1HB   LYS  23          1HB       LYS  23 -18.951 -11.339   9.411
  178   2HB   LYS  23          2HB       LYS  23 -17.684 -12.342   8.735
  179   1HG   LYS  23          1HG       LYS  23 -16.846 -12.648  10.816
  180   2HG   LYS  23          2HG       LYS  23 -16.470 -10.938  10.897
  181   1HD   LYS  23          1HD       LYS  23 -19.054 -10.696  11.505
  182   2HD   LYS  23          2HD       LYS  23 -18.915 -12.389  11.933
  183   1HE   LYS  23          1HE       LYS  23 -18.442 -11.202  13.956
  184   2HE   LYS  23          2HE       LYS  23 -16.878 -11.737  13.373
  185   1HZ   LYS  23          1HZ       LYS  23 -17.997  -9.080  12.810
  186   2HZ   LYS  23          2HZ       LYS  23 -16.957  -9.393  14.031
  187   3HZ   LYS  23          3HZ       LYS  23 -16.482  -9.592  12.481
  188    H    LEU  24           H        LEU  24 -17.128 -11.506   6.404
  189    HA   LEU  24           HA       LEU  24 -14.476 -12.253   6.391
  190   1HB   LEU  24          1HB       LEU  24 -16.693 -12.580   4.784
  191   2HB   LEU  24          2HB       LEU  24 -15.602 -11.675   3.754
  192    HG   LEU  24           HG       LEU  24 -14.898 -14.270   5.151
  193   1HD1  LEU  24          2HD1      LEU  24 -16.409 -13.769   2.739
  194   2HD1  LEU  24          3HD1      LEU  24 -14.907 -14.650   2.372
  195   3HD1  LEU  24          1HD1      LEU  24 -16.056 -15.306   3.564
  196   1HD2  LEU  24          3HD2      LEU  24 -13.398 -12.631   3.091
  197   2HD2  LEU  24          1HD2      LEU  24 -12.931 -12.924   4.784
  198   3HD2  LEU  24          2HD2      LEU  24 -12.948 -14.271   3.619
  199    H    GLU  25           H        GLU  25 -16.054  -9.228   5.247
  200    HA   GLU  25           HA       GLU  25 -13.641  -8.236   4.160
  201   1HB   GLU  25          1HB       GLU  25 -15.974  -7.582   3.421
  202   2HB   GLU  25          2HB       GLU  25 -16.164  -6.703   4.925
  203   1HG   GLU  25          1HG       GLU  25 -13.711  -5.755   3.987
  204   2HG   GLU  25          2HG       GLU  25 -14.620  -5.976   2.505
  205    H    GLU  26           H        GLU  26 -15.486  -7.777   7.227
  206    HA   GLU  26           HA       GLU  26 -13.883  -5.745   8.215
  207   1HB   GLU  26          1HB       GLU  26 -15.737  -7.782   9.470
  208   2HB   GLU  26          2HB       GLU  26 -14.793  -6.721  10.496
  209   1HG   GLU  26          1HG       GLU  26 -16.260  -5.427   8.214
  210   2HG   GLU  26          2HG       GLU  26 -17.242  -6.043   9.528
  211    H    CYS  27           H        CYS  27 -13.875  -9.301   9.009
  212    HA   CYS  27           HA       CYS  27 -11.802  -9.411  10.693
  213   1HB   CYS  27          1HB       CYS  27 -13.235 -11.260   9.153
  214   2HB   CYS  27          2HB       CYS  27 -11.561 -11.549   8.723
  215    HG   CYS  27           HG       CYS  27 -10.619 -12.058  10.974
  216    H    VAL  28           H        VAL  28 -11.541  -9.680   7.065
  217    HA   VAL  28           HA       VAL  28  -8.883  -9.800   6.754
  218    HB   VAL  28           HB       VAL  28 -10.938  -8.219   5.208
  219   1HG1  VAL  28          3HG1      VAL  28  -8.141  -7.972   4.978
  220   2HG1  VAL  28          1HG1      VAL  28  -8.648  -9.013   3.628
  221   3HG1  VAL  28          2HG1      VAL  28  -9.380  -7.404   3.833
  222   1HG2  VAL  28          3HG2      VAL  28 -10.750 -10.908   5.534
  223   2HG2  VAL  28          1HG2      VAL  28 -11.397 -10.124   4.073
  224   3HG2  VAL  28          2HG2      VAL  28  -9.708 -10.683   4.109
  225    H    ARG  29           H        ARG  29 -10.789  -6.755   7.264
  226    HA   ARG  29           HA       ARG  29  -8.528  -5.138   7.227
  227   1HB   ARG  29          1HB       ARG  29 -11.305  -4.768   7.352
  228   2HB   ARG  29          2HB       ARG  29 -10.768  -4.159   8.906
  229   1HG   ARG  29          1HG       ARG  29  -9.862  -2.297   7.966
  230   2HG   ARG  29          2HG       ARG  29  -8.982  -3.237   6.777
  231   1HD   ARG  29          1HD       ARG  29 -10.674  -3.072   5.176
  232   2HD   ARG  29          2HD       ARG  29 -11.952  -2.989   6.371
  233    HE   ARG  29           HE       ARG  29 -10.199  -0.656   6.465
  234   1HH1  ARG  29          2HH2      ARG  29 -12.977  -2.072   4.833
  235   2HH1  ARG  29          1HH2      ARG  29 -13.619  -0.546   4.326
  236   1HH2  ARG  29          2HH1      ARG  29 -11.046   1.359   5.798
  237   2HH2  ARG  29          1HH1      ARG  29 -12.514   1.419   4.879
  238    H    SER  30           H        SER  30 -10.492  -6.588   9.911
  239    HA   SER  30           HA       SER  30  -9.325  -5.441  12.035
  240   1HB   SER  30          1HB       SER  30 -10.497  -7.000  13.207
  241   2HB   SER  30          2HB       SER  30 -11.084  -7.518  11.638
  242    HG   SER  30           HG       SER  30  -9.564  -9.187  11.576
  243    H    ILE  31           H        ILE  31  -8.157  -8.347  10.205
  244    HA   ILE  31           HA       ILE  31  -6.076  -9.148  11.692
  245    HB   ILE  31           HB       ILE  31  -6.254  -8.829   8.699
  246   1HG1  ILE  31          1HG1      ILE  31  -6.738 -11.219  10.504
  247   2HG1  ILE  31          2HG1      ILE  31  -7.987 -10.236   9.764
  248   1HG2  ILE  31          3HG2      ILE  31  -3.884  -9.025   9.648
  249   2HG2  ILE  31          1HG2      ILE  31  -4.344 -10.675  10.127
  250   3HG2  ILE  31          2HG2      ILE  31  -4.380 -10.203   8.411
  251   1HD1  ILE  31          3HD1      ILE  31  -6.047 -11.075   7.748
  252   2HD1  ILE  31          1HD1      ILE  31  -6.700 -12.480   8.625
  253   3HD1  ILE  31          2HD1      ILE  31  -7.805 -11.353   7.802
  254    H    GLN  32           H        GLN  32  -4.148  -8.377  12.425
  255    HA   GLN  32           HA       GLN  32  -3.121  -6.003  11.111
  256   1HB   GLN  32          1HB       GLN  32  -4.532  -5.671  13.385
  257   2HB   GLN  32          2HB       GLN  32  -2.993  -6.084  14.114
  258   1HG   GLN  32          1HG       GLN  32  -2.670  -3.801  13.903
  259   2HG   GLN  32          2HG       GLN  32  -2.060  -4.295  12.336
  260   1HE2  GLN  32          2HE2      GLN  32  -4.220  -1.617  11.366
  261   2HE2  GLN  32          1HE2      GLN  32  -2.634  -1.984  11.959
  262    H    ALA  33           H        ALA  33  -0.808  -5.766  11.258
  263    HA   ALA  33           HA       ALA  33   0.689  -7.645  12.823
  264   1HB   ALA  33          2HB       ALA  33  -0.041  -8.992  10.825
  265   2HB   ALA  33          3HB       ALA  33   0.822  -7.832   9.788
  266   3HB   ALA  33          1HB       ALA  33   1.724  -8.812  10.968
  267    H    ASP  34           H        ASP  34   3.140  -7.308  12.300
  268    HA   ASP  34           HA       ASP  34   3.583  -4.558  12.486
  269   1HB   ASP  34          1HB       ASP  34   5.062  -6.170  13.581
  270   2HB   ASP  34          2HB       ASP  34   5.450  -6.930  12.050
  271    H    GLY  35           H        GLY  35   4.683  -3.143  10.933
  272   1HA   GLY  35          1HA       GLY  35   5.017  -2.299   8.875
  273   2HA   GLY  35          2HA       GLY  35   5.791  -3.831   8.519
  274    H    LEU  36           H        LEU  36   2.402  -3.904   9.486
  275    HA   LEU  36           HA       LEU  36   1.710  -4.469   6.690
  276   1HB   LEU  36          1HB       LEU  36   1.471  -6.424   7.992
  277   2HB   LEU  36          2HB       LEU  36   0.680  -5.563   9.297
  278    HG   LEU  36           HG       LEU  36  -1.260  -5.135   7.757
  279   1HD1  LEU  36          2HD1      LEU  36   0.060  -5.455   5.648
  280   2HD1  LEU  36          3HD1      LEU  36   0.030  -7.206   5.967
  281   3HD1  LEU  36          1HD1      LEU  36  -1.493  -6.323   5.702
  282   1HD2  LEU  36          1HD2      LEU  36  -1.032  -7.042   9.457
  283   2HD2  LEU  36          2HD2      LEU  36  -2.285  -7.191   8.203
  284   3HD2  LEU  36          3HD2      LEU  36  -0.759  -8.094   8.047
  285    H    VAL  37           H        VAL  37   0.087  -3.313   5.700
  286    HA   VAL  37           HA       VAL  37  -1.375  -1.432   7.410
  287    HB   VAL  37           HB       VAL  37   0.265  -0.920   4.957
  288   1HG1  VAL  37          2HG1      VAL  37  -2.005  -0.198   4.346
  289   2HG1  VAL  37          3HG1      VAL  37  -2.098   0.779   5.830
  290   3HG1  VAL  37          1HG1      VAL  37  -0.917   1.193   4.564
  291   1HG2  VAL  37          1HG2      VAL  37   0.822  -0.436   7.511
  292   2HG2  VAL  37          2HG2      VAL  37   1.310   0.688   6.220
  293   3HG2  VAL  37          3HG2      VAL  37  -0.140   1.028   7.194
  294    H    TRP  38           H        TRP  38  -3.552  -1.151   6.882
  295    HA   TRP  38           HA       TRP  38  -4.505  -2.964   4.777
  296   1HB   TRP  38          1HB       TRP  38  -5.530  -2.206   7.465
  297   2HB   TRP  38          2HB       TRP  38  -6.714  -2.472   6.199
  298    HD1  TRP  38           HD       TRP  38  -5.271  -4.396   8.848
  299    HE1  TRP  38          1HE       TRP  38  -5.192  -7.003   8.448
  300    HE3  TRP  38          3HE       TRP  38  -6.011  -4.175   3.823
  301    HZ2  TRP  38          2HZ       TRP  38  -5.443  -8.644   6.127
  302    HZ3  TRP  38          3HZ       TRP  38  -6.081  -6.325   2.564
  303    HH2  TRP  38           HH       TRP  38  -5.812  -8.505   3.636
  304    H    GLY  39           H        GLY  39  -4.497  -1.638   2.949
  305   1HA   GLY  39          1HA       GLY  39  -5.059   1.111   2.957
  306   2HA   GLY  39          2HA       GLY  39  -5.091   0.037   1.574
  307    H    SER  40           H        SER  40  -7.034  -0.213   0.561
  308    HA   SER  40           HA       SER  40  -9.402  -0.053   2.230
  309   1HB   SER  40          1HB       SER  40  -8.593   2.036   0.532
  310   2HB   SER  40          2HB       SER  40  -9.798   1.183  -0.412
  311    HG   SER  40           HG       SER  40 -10.106   2.744   1.891
  312    H    SER  41           H        SER  41 -10.989  -1.561   1.652
  313    HA   SER  41           HA       SER  41 -10.191  -3.399  -0.403
  314   1HB   SER  41          1HB       SER  41 -11.972  -4.834   0.491
  315   2HB   SER  41          2HB       SER  41 -10.972  -4.234   1.799
  316    HG   SER  41           HG       SER  41 -13.352  -2.810   1.037
  317    H    LYS  42           H        LYS  42 -12.144  -4.331  -1.801
  318    HA   LYS  42           HA       LYS  42 -13.993  -2.200  -2.528
  319   1HB   LYS  42          1HB       LYS  42 -12.640  -3.558  -4.802
  320   2HB   LYS  42          2HB       LYS  42 -13.294  -1.938  -4.683
  321   1HG   LYS  42          1HG       LYS  42 -11.376  -1.327  -3.142
  322   2HG   LYS  42          2HG       LYS  42 -10.702  -2.924  -3.403
  323   1HD   LYS  42          1HD       LYS  42  -9.637  -1.285  -4.916
  324   2HD   LYS  42          2HD       LYS  42 -10.523  -2.481  -5.839
  325   1HE   LYS  42          1HE       LYS  42 -11.894  -0.900  -6.730
  326   2HE   LYS  42          2HE       LYS  42 -12.286  -0.257  -5.147
  327   1HZ   LYS  42          3HZ       LYS  42  -9.649   0.361  -6.101
  328   2HZ   LYS  42          1HZ       LYS  42 -10.867   1.048  -6.944
  329   3HZ   LYS  42          2HZ       LYS  42 -10.732   1.316  -5.340
  330    H    LEU  43           H        LEU  43 -15.899  -2.981  -3.630
  331    HA   LEU  43           HA       LEU  43 -16.184  -5.898  -3.409
  332   1HB   LEU  43          1HB       LEU  43 -17.803  -3.684  -2.331
  333   2HB   LEU  43          2HB       LEU  43 -18.720  -4.943  -3.135
  334    HG   LEU  43           HG       LEU  43 -18.659  -5.475  -0.822
  335   1HD1  LEU  43          3HD1      LEU  43 -17.575  -7.194  -2.788
  336   2HD1  LEU  43          1HD1      LEU  43 -16.635  -7.451  -1.298
  337   3HD1  LEU  43          2HD1      LEU  43 -18.406  -7.629  -1.276
  338   1HD2  LEU  43          3HD2      LEU  43 -15.813  -4.645  -1.013
  339   2HD2  LEU  43          1HD2      LEU  43 -17.010  -4.380   0.278
  340   3HD2  LEU  43          2HD2      LEU  43 -16.199  -5.958   0.125
  341    H    VAL  44           H        VAL  44 -17.613  -6.906  -4.987
  342    HA   VAL  44           HA       VAL  44 -18.494  -5.271  -7.187
  343    HB   VAL  44           HB       VAL  44 -16.314  -7.340  -7.526
  344   1HG1  VAL  44          3HG1      VAL  44 -17.989  -7.471  -9.328
  345   2HG1  VAL  44          1HG1      VAL  44 -17.790  -5.729  -9.637
  346   3HG1  VAL  44          2HG1      VAL  44 -16.431  -6.844  -9.921
  347   1HG2  VAL  44          2HG2      VAL  44 -16.355  -4.329  -7.885
  348   2HG2  VAL  44          3HG2      VAL  44 -15.352  -5.284  -6.767
  349   3HG2  VAL  44          1HG2      VAL  44 -15.069  -5.383  -8.521
  350    HA   PRO  45           HA       PRO  45 -21.228  -8.681  -6.427
  351   1HB   PRO  45          1HB       PRO  45 -23.538  -7.364  -7.056
  352   2HB   PRO  45          2HB       PRO  45 -22.870  -7.406  -5.438
  353   1HG   PRO  45          1HG       PRO  45 -22.855  -5.188  -7.392
  354   2HG   PRO  45          2HG       PRO  45 -22.587  -5.127  -5.662
  355   1HD   PRO  45          1HD       PRO  45 -20.590  -4.973  -7.715
  356   2HD   PRO  45          2HD       PRO  45 -20.312  -5.029  -5.985
  357    H    VAL  46           H        VAL  46 -21.877 -10.328  -7.717
  358    HA   VAL  46           HA       VAL  46 -21.628  -9.685 -10.556
  359    HB   VAL  46           HB       VAL  46 -21.398 -12.181  -8.899
  360   1HG1  VAL  46          3HG1      VAL  46 -21.755 -12.045 -11.912
  361   2HG1  VAL  46          1HG1      VAL  46 -21.183 -13.476 -11.019
  362   3HG1  VAL  46          2HG1      VAL  46 -22.825 -12.848 -10.738
  363   1HG2  VAL  46          1HG2      VAL  46 -19.612 -10.475 -10.568
  364   2HG2  VAL  46          2HG2      VAL  46 -19.282 -11.345  -9.051
  365   3HG2  VAL  46          3HG2      VAL  46 -19.315 -12.230 -10.595
  366    H    GLY  47           H        GLY  47 -23.754 -11.555  -8.275
  367   1HA   GLY  47          1HA       GLY  47 -26.152 -10.490  -9.172
  368   2HA   GLY  47          2HA       GLY  47 -25.836 -11.895 -10.171
  369    H    TYR  48           H        TYR  48 -27.819 -12.793  -9.118
  370    HA   TYR  48           HA       TYR  48 -28.887 -14.015  -7.599
  371   1HB   TYR  48          1HB       TYR  48 -25.930 -14.761  -7.402
  372   2HB   TYR  48          2HB       TYR  48 -27.057 -15.546  -6.312
  373    HD1  TYR  48          2HD       TYR  48 -29.015 -16.855  -7.323
  374    HD2  TYR  48          1HD       TYR  48 -25.673 -15.511  -9.632
  375    HE1  TYR  48          2HE       TYR  48 -29.575 -18.549  -9.133
  376    HE2  TYR  48          1HE       TYR  48 -26.244 -17.211 -11.435
  377    HH   TYR  48           HH       TYR  48 -27.982 -18.489 -12.214
  378    H    GLY  49           H        GLY  49 -25.993 -13.981  -5.511
  379   1HA   GLY  49          1HA       GLY  49 -26.908 -11.832  -3.850
  380   2HA   GLY  49          2HA       GLY  49 -27.288 -13.403  -3.172
  381    H    ILE  50           H        ILE  50 -24.461 -12.955  -5.292
  382    HA   ILE  50           HA       ILE  50 -22.765 -13.301  -2.918
  383    HB   ILE  50           HB       ILE  50 -22.451 -14.332  -5.735
  384   1HG1  ILE  50          1HG1      ILE  50 -23.893 -15.784  -4.613
  385   2HG1  ILE  50          2HG1      ILE  50 -22.320 -16.535  -4.440
  386   1HG2  ILE  50          3HG2      ILE  50 -20.478 -14.362  -3.438
  387   2HG2  ILE  50          1HG2      ILE  50 -20.340 -15.364  -4.903
  388   3HG2  ILE  50          2HG2      ILE  50 -20.282 -13.589  -5.029
  389   1HD1  ILE  50          1HD1      ILE  50 -22.171 -15.191  -2.186
  390   2HD1  ILE  50          2HD1      ILE  50 -23.935 -15.033  -2.363
  391   3HD1  ILE  50          3HD1      ILE  50 -23.192 -16.648  -2.252
  392    H    LYS  51           H        LYS  51 -20.479 -12.398  -3.251
  393    HA   LYS  51           HA       LYS  51 -20.395 -10.159  -5.086
  394   1HB   LYS  51          1HB       LYS  51 -20.635  -9.869  -2.113
  395   2HB   LYS  51          2HB       LYS  51 -19.596  -8.759  -2.984
  396   1HG   LYS  51          1HG       LYS  51 -21.409  -7.579  -3.655
  397   2HG   LYS  51          2HG       LYS  51 -22.011  -8.985  -4.512
  398   1HD   LYS  51          1HD       LYS  51 -22.492  -9.382  -1.688
  399   2HD   LYS  51          2HD       LYS  51 -23.058  -7.780  -2.116
  400   1HE   LYS  51          1HE       LYS  51 -23.982  -9.303  -4.256
  401   2HE   LYS  51          2HE       LYS  51 -24.121 -10.432  -2.923
  402   1HZ   LYS  51          3HZ       LYS  51 -25.075  -8.161  -1.874
  403   2HZ   LYS  51          1HZ       LYS  51 -25.595  -8.048  -3.418
  404   3HZ   LYS  51          2HZ       LYS  51 -25.994  -9.349  -2.516
  405    H    LYS  52           H        LYS  52 -18.150  -9.147  -5.069
  406    HA   LYS  52           HA       LYS  52 -16.253 -11.318  -4.909
  407   1HB   LYS  52          1HB       LYS  52 -16.630  -9.049  -6.559
  408   2HB   LYS  52          2HB       LYS  52 -15.118  -8.788  -5.714
  409   1HG   LYS  52          1HG       LYS  52 -14.294 -11.014  -6.421
  410   2HG   LYS  52          2HG       LYS  52 -15.833 -11.371  -7.182
  411   1HD   LYS  52          1HD       LYS  52 -15.426  -9.207  -8.591
  412   2HD   LYS  52          2HD       LYS  52 -13.772  -9.293  -8.018
  413   1HE   LYS  52          1HE       LYS  52 -13.939 -11.831  -8.837
  414   2HE   LYS  52          2HE       LYS  52 -15.256 -11.220  -9.820
  415   1HZ   LYS  52          3HZ       LYS  52 -12.923  -9.580  -9.886
  416   2HZ   LYS  52          1HZ       LYS  52 -12.673 -11.083 -10.472
  417   3HZ   LYS  52          2HZ       LYS  52 -13.838 -10.139 -11.117
  418    H    LEU  53           H        LEU  53 -14.761 -11.625  -3.324
  419    HA   LEU  53           HA       LEU  53 -14.793  -9.681  -1.155
  420   1HB   LEU  53          1HB       LEU  53 -14.791 -12.480  -1.293
  421   2HB   LEU  53          2HB       LEU  53 -13.193 -12.052  -0.716
  422    HG   LEU  53           HG       LEU  53 -14.977 -12.502   1.035
  423   1HD1  LEU  53          2HD1      LEU  53 -12.851 -11.441   1.575
  424   2HD1  LEU  53          3HD1      LEU  53 -13.515  -9.849   1.132
  425   3HD1  LEU  53          1HD1      LEU  53 -14.175 -10.731   2.530
  426   1HD2  LEU  53          3HD2      LEU  53 -16.415 -10.602  -0.447
  427   2HD2  LEU  53          1HD2      LEU  53 -16.873 -11.350   1.102
  428   3HD2  LEU  53          2HD2      LEU  53 -15.996  -9.801   1.088
  429    H    GLN  54           H        GLN  54 -13.643  -8.269  -2.953
  430    HA   GLN  54           HA       GLN  54 -10.838  -8.936  -3.084
  431   1HB   GLN  54          1HB       GLN  54 -11.731  -8.220  -5.180
  432   2HB   GLN  54          2HB       GLN  54 -12.589  -6.874  -4.459
  433   1HG   GLN  54          1HG       GLN  54 -10.746  -5.511  -4.493
  434   2HG   GLN  54          2HG       GLN  54  -9.670  -6.786  -3.958
  435   1HE2  GLN  54          2HE2      GLN  54  -8.667  -7.882  -7.138
  436   2HE2  GLN  54          1HE2      GLN  54  -8.788  -8.242  -5.449
  437    H    ILE  55           H        ILE  55  -9.181  -7.708  -2.110
  438    HA   ILE  55           HA       ILE  55  -9.942  -5.312  -0.671
  439    HB   ILE  55           HB       ILE  55  -9.611  -6.031   1.437
  440   1HG1  ILE  55          1HG1      ILE  55  -7.275  -6.737   1.030
  441   2HG1  ILE  55          2HG1      ILE  55  -8.117  -7.769   2.169
  442   1HG2  ILE  55          3HG2      ILE  55 -10.437  -8.596   0.051
  443   2HG2  ILE  55          1HG2      ILE  55 -10.592  -8.270   1.794
  444   3HG2  ILE  55          2HG2      ILE  55 -11.508  -7.293   0.621
  445   1HD1  ILE  55          2HD1      ILE  55  -8.456  -8.709  -0.598
  446   2HD1  ILE  55          3HD1      ILE  55  -6.745  -8.620  -0.118
  447   3HD1  ILE  55          1HD1      ILE  55  -7.887  -9.595   0.837
  448    H    GLN  56           H        GLN  56  -7.943  -4.194   0.217
  449    HA   GLN  56           HA       GLN  56  -5.605  -5.002  -1.322
  450   1HB   GLN  56          1HB       GLN  56  -6.762  -3.111  -2.468
  451   2HB   GLN  56          2HB       GLN  56  -6.640  -2.148  -1.009
  452   1HG   GLN  56          1HG       GLN  56  -4.788  -1.461  -2.354
  453   2HG   GLN  56          2HG       GLN  56  -4.090  -2.502  -1.129
  454   1HE2  GLN  56          2HE2      GLN  56  -3.675  -3.308  -5.047
  455   2HE2  GLN  56          1HE2      GLN  56  -4.290  -1.835  -4.374
  456    H    CYS  57           H        CYS  57  -3.569  -4.606  -0.305
  457    HA   CYS  57           HA       CYS  57  -3.717  -3.424   2.354
  458   1HB   CYS  57          1HB       CYS  57  -2.034  -5.362   2.990
  459   2HB   CYS  57          2HB       CYS  57  -3.767  -5.580   3.127
  460    HG   CYS  57           HG       CYS  57  -3.886  -7.487   1.742
  461    H    VAL  58           H        VAL  58  -1.443  -2.843   3.136
  462    HA   VAL  58           HA       VAL  58   0.343  -2.430   0.839
  463    HB   VAL  58           HB       VAL  58  -0.401  -0.549   3.083
  464   1HG1  VAL  58          3HG1      VAL  58   2.050  -0.529   2.697
  465   2HG1  VAL  58          1HG1      VAL  58   1.755  -0.161   0.981
  466   3HG1  VAL  58          2HG1      VAL  58   1.267   1.002   2.237
  467   1HG2  VAL  58          1HG2      VAL  58  -0.838  -0.588   0.101
  468   2HG2  VAL  58          2HG2      VAL  58  -2.006  -0.291   1.412
  469   3HG2  VAL  58          3HG2      VAL  58  -0.801   0.951   0.994
  470    H    VAL  59           H        VAL  59   1.798  -4.086   1.200
  471    HA   VAL  59           HA       VAL  59   2.709  -4.572   3.898
  472    HB   VAL  59           HB       VAL  59   3.750  -6.479   3.014
  473   1HG1  VAL  59          3HG1      VAL  59   1.044  -5.984   2.570
  474   2HG1  VAL  59          1HG1      VAL  59   1.613  -6.685   1.037
  475   3HG1  VAL  59          2HG1      VAL  59   1.849  -7.572   2.562
  476   1HG2  VAL  59          1HG2      VAL  59   3.785  -4.931   0.463
  477   2HG2  VAL  59          2HG2      VAL  59   5.032  -5.967   1.196
  478   3HG2  VAL  59          3HG2      VAL  59   3.651  -6.703   0.349
  479    H    GLU  60           H        GLU  60   5.226  -4.865   4.131
  480    HA   GLU  60           HA       GLU  60   6.309  -2.321   3.342
  481   1HB   GLU  60          1HB       GLU  60   6.509  -3.910   5.640
  482   2HB   GLU  60          2HB       GLU  60   8.076  -4.108   4.882
  483   1HG   GLU  60          1HG       GLU  60   7.830  -1.421   4.588
  484   2HG   GLU  60          2HG       GLU  60   6.802  -1.622   5.994
  485    H    ASP  61           H        ASP  61   6.576  -2.737   1.039
  486    HA   ASP  61           HA       ASP  61   7.702  -3.289  -0.727
  487   1HB   ASP  61          1HB       ASP  61   9.752  -2.508   0.089
  488   2HB   ASP  61          2HB       ASP  61   9.774  -3.641   1.426
  489    H    ASP  62           H        ASP  62   9.369  -5.720   1.378
  490    HA   ASP  62           HA       ASP  62   7.710  -7.794   0.230
  491   1HB   ASP  62          1HB       ASP  62  10.014  -7.366  -1.013
  492   2HB   ASP  62          2HB       ASP  62  10.717  -8.167   0.377
  493    H    LYS  63           H        LYS  63   8.108  -6.405   2.909
  494    HA   LYS  63           HA       LYS  63   9.491  -8.363   4.516
  495   1HB   LYS  63          1HB       LYS  63   9.489  -5.807   4.842
  496   2HB   LYS  63          2HB       LYS  63   7.881  -6.007   5.509
  497   1HG   LYS  63          1HG       LYS  63   8.775  -6.640   7.492
  498   2HG   LYS  63          2HG       LYS  63   9.526  -8.022   6.719
  499   1HD   LYS  63          1HD       LYS  63  10.846  -5.330   6.381
  500   2HD   LYS  63          2HD       LYS  63  10.984  -6.117   7.940
  501   1HE   LYS  63          1HE       LYS  63  11.486  -7.975   5.696
  502   2HE   LYS  63          2HE       LYS  63  12.593  -6.616   5.697
  503   1HZ   LYS  63          1HZ       LYS  63  12.691  -7.203   8.221
  504   2HZ   LYS  63          2HZ       LYS  63  12.253  -8.685   7.690
  505   3HZ   LYS  63          3HZ       LYS  63  13.623  -7.992   7.135
  506    H    VAL  64           H        VAL  64   6.115  -7.022   4.321
  507    HA   VAL  64           HA       VAL  64   5.191  -9.392   5.734
  508    HB   VAL  64           HB       VAL  64   3.960  -6.748   4.973
  509   1HG1  VAL  64          1HG1      VAL  64   2.627  -9.307   5.615
  510   2HG1  VAL  64          2HG1      VAL  64   2.083  -7.915   6.582
  511   3HG1  VAL  64          3HG1      VAL  64   1.998  -7.852   4.805
  512   1HG2  VAL  64          2HG2      VAL  64   5.432  -6.741   6.930
  513   2HG2  VAL  64          3HG2      VAL  64   3.738  -6.482   7.412
  514   3HG2  VAL  64          1HG2      VAL  64   4.499  -8.073   7.654
  515    H    GLY  65           H        GLY  65   5.024 -11.155   4.416
  516   1HA   GLY  65          1HA       GLY  65   4.192 -10.813   1.650
  517   2HA   GLY  65          2HA       GLY  65   4.739 -12.283   2.433
  518    H    THR  66           H        THR  66   2.427 -12.173   0.746
  519    HA   THR  66           HA       THR  66   0.071 -11.927   2.331
  520    HB   THR  66           HB       THR  66   0.875 -12.665  -0.460
  521    HG1  THR  66          1HG       THR  66  -1.278 -11.258   0.957
  522   1HG2  THR  66          2HG2      THR  66  -0.659 -14.589   0.332
  523   2HG2  THR  66          3HG2      THR  66  -1.902 -13.347   0.618
  524   3HG2  THR  66          1HG2      THR  66  -1.281 -13.621  -1.027
  525    H    ASP  67           H        ASP  67   2.569 -14.211   2.338
  526    HA   ASP  67           HA       ASP  67   1.272 -16.594   2.440
  527   1HB   ASP  67          1HB       ASP  67   3.171 -17.034   4.304
  528   2HB   ASP  67          2HB       ASP  67   3.553 -16.895   2.600
  529    H    MET  68           H        MET  68   2.308 -14.557   5.293
  530    HA   MET  68           HA       MET  68   0.865 -15.994   7.151
  531   1HB   MET  68          1HB       MET  68   2.720 -14.008   7.248
  532   2HB   MET  68          2HB       MET  68   1.296 -13.015   7.496
  533   1HG   MET  68          1HG       MET  68   0.863 -15.184   9.226
  534   2HG   MET  68          2HG       MET  68   2.593 -14.922   9.344
  535   1HE   MET  68          2HE       MET  68  -0.845 -13.763   9.617
  536   2HE   MET  68          3HE       MET  68  -0.839 -12.397  10.758
  537   3HE   MET  68          1HE       MET  68  -0.553 -12.111   9.025
  538    H    LEU  69           H        LEU  69   0.067 -12.812   5.576
  539    HA   LEU  69           HA       LEU  69  -2.364 -12.405   6.764
  540   1HB   LEU  69          1HB       LEU  69  -1.269 -11.675   4.060
  541   2HB   LEU  69          2HB       LEU  69  -2.879 -11.193   4.556
  542    HG   LEU  69           HG       LEU  69  -0.354 -10.501   6.081
  543   1HD1  LEU  69          3HD1      LEU  69  -1.226  -9.457   3.613
  544   2HD1  LEU  69          1HD1      LEU  69  -1.633  -8.238   4.844
  545   3HD1  LEU  69          2HD1      LEU  69   0.041  -8.822   4.688
  546   1HD2  LEU  69          1HD2      LEU  69  -3.224 -10.134   6.598
  547   2HD2  LEU  69          2HD2      LEU  69  -1.836 -10.102   7.712
  548   3HD2  LEU  69          3HD2      LEU  69  -2.251  -8.653   6.764
  549    H    GLU  70           H        GLU  70  -1.519 -14.474   3.945
  550    HA   GLU  70           HA       GLU  70  -4.150 -15.057   3.265
  551   1HB   GLU  70          1HB       GLU  70  -2.329 -15.459   1.703
  552   2HB   GLU  70          2HB       GLU  70  -1.544 -16.567   2.811
  553   1HG   GLU  70          1HG       GLU  70  -3.778 -17.945   2.681
  554   2HG   GLU  70          2HG       GLU  70  -4.125 -16.979   1.260
  555    H    GLU  71           H        GLU  71  -1.720 -16.878   5.261
  556    HA   GLU  71           HA       GLU  71  -3.412 -18.974   5.866
  557   1HB   GLU  71          1HB       GLU  71  -0.805 -17.955   6.752
  558   2HB   GLU  71          2HB       GLU  71  -1.690 -18.686   8.077
  559   1HG   GLU  71          1HG       GLU  71  -2.137 -20.496   6.003
  560   2HG   GLU  71          2HG       GLU  71  -0.502 -19.957   5.673
  561    H    GLN  72           H        GLN  72  -3.574 -15.677   6.800
  562    HA   GLN  72           HA       GLN  72  -4.971 -16.340   9.254
  563   1HB   GLN  72          1HB       GLN  72  -3.197 -14.575   9.310
  564   2HB   GLN  72          2HB       GLN  72  -4.113 -13.626   8.156
  565   1HG   GLN  72          1HG       GLN  72  -5.190 -12.688   9.920
  566   2HG   GLN  72          2HG       GLN  72  -6.002 -14.223  10.151
  567   1HE2  GLN  72          2HE2      GLN  72  -4.404 -15.093  13.100
  568   2HE2  GLN  72          1HE2      GLN  72  -5.584 -15.434  11.880
  569    H    ILE  73           H        ILE  73  -5.361 -14.646   6.090
  570    HA   ILE  73           HA       ILE  73  -8.086 -13.987   6.606
  571    HB   ILE  73           HB       ILE  73  -6.491 -13.993   4.040
  572   1HG1  ILE  73          1HG1      ILE  73  -7.121 -11.495   5.545
  573   2HG1  ILE  73          2HG1      ILE  73  -5.860 -12.526   6.192
  574   1HG2  ILE  73          1HG2      ILE  73  -9.283 -13.240   4.700
  575   2HG2  ILE  73          2HG2      ILE  73  -8.369 -12.096   3.687
  576   3HG2  ILE  73          3HG2      ILE  73  -8.563 -13.787   3.165
  577   1HD1  ILE  73          3HD1      ILE  73  -4.747 -12.532   3.929
  578   2HD1  ILE  73          1HD1      ILE  73  -5.983 -11.384   3.364
  579   3HD1  ILE  73          2HD1      ILE  73  -4.854 -10.911   4.656
  580    H    THR  74           H        THR  74  -6.401 -16.397   4.472
  581    HA   THR  74           HA       THR  74  -8.881 -17.678   3.831
  582    HB   THR  74           HB       THR  74  -7.491 -19.006   2.406
  583    HG1  THR  74          1HG       THR  74  -6.059 -19.717   4.133
  584   1HG2  THR  74          1HG2      THR  74  -7.155 -16.322   2.220
  585   2HG2  THR  74          2HG2      THR  74  -5.501 -16.762   2.711
  586   3HG2  THR  74          3HG2      THR  74  -6.203 -17.452   1.228
  587    H    ALA  75           H        ALA  75  -7.174 -17.541   6.680
  588    HA   ALA  75           HA       ALA  75  -7.017 -20.223   7.439
  589   1HB   ALA  75          3HB       ALA  75  -6.500 -17.672   8.532
  590   2HB   ALA  75          1HB       ALA  75  -7.663 -18.440   9.639
  591   3HB   ALA  75          2HB       ALA  75  -6.125 -19.253   9.260
  592    H    PHE  76           H        PHE  76  -9.731 -18.185   6.778
  593    HA   PHE  76           HA       PHE  76 -11.473 -19.799   8.473
  594   1HB   PHE  76          1HB       PHE  76 -11.386 -17.088   7.242
  595   2HB   PHE  76          2HB       PHE  76 -12.938 -17.863   6.997
  596    HD1  PHE  76          1HD       PHE  76 -13.430 -19.309   9.445
  597    HD2  PHE  76          2HD       PHE  76 -11.610 -15.512   8.911
  598    HE1  PHE  76          1HE       PHE  76 -14.127 -18.648  11.763
  599    HE2  PHE  76          2HE       PHE  76 -12.307 -14.852  11.230
  600    HZ   PHE  76           HZ       PHE  76 -13.558 -16.428  12.629
  601    H    GLU  77           H        GLU  77 -11.521 -21.786   7.308
  602    HA   GLU  77           HA       GLU  77 -12.119 -21.715   4.527
  603   1HB   GLU  77          1HB       GLU  77 -10.995 -23.576   6.314
  604   2HB   GLU  77          2HB       GLU  77 -12.521 -24.305   5.853
  605   1HG   GLU  77          1HG       GLU  77 -11.201 -23.136   3.516
  606   2HG   GLU  77          2HG       GLU  77 -10.121 -24.247   4.335
  607    H    ASP  78           H        ASP  78 -13.940 -21.264   7.344
  608    HA   ASP  78           HA       ASP  78 -16.261 -22.636   6.351
  609   1HB   ASP  78          1HB       ASP  78 -15.437 -22.261   8.863
  610   2HB   ASP  78          2HB       ASP  78 -16.268 -20.727   8.700
  611    H    TYR  79           H        TYR  79 -14.782 -20.063   5.205
  612    HA   TYR  79           HA       TYR  79 -17.243 -18.632   4.639
  613   1HB   TYR  79          1HB       TYR  79 -14.694 -17.568   5.990
  614   2HB   TYR  79          2HB       TYR  79 -15.785 -16.483   5.152
  615    HD1  TYR  79          2HD       TYR  79 -15.336 -18.610   8.114
  616    HD2  TYR  79          1HD       TYR  79 -17.993 -15.953   6.069
  617    HE1  TYR  79          2HE       TYR  79 -16.748 -18.394  10.217
  618    HE2  TYR  79          1HE       TYR  79 -19.397 -15.746   8.179
  619    HH   TYR  79           HH       TYR  79 -18.388 -17.340  11.179
  620    H    VAL  80           H        VAL  80 -13.668 -18.937   4.197
  621    HA   VAL  80           HA       VAL  80 -13.850 -17.688   1.602
  622    HB   VAL  80           HB       VAL  80 -11.628 -18.843   3.279
  623   1HG1  VAL  80          2HG1      VAL  80 -11.640 -18.144   0.372
  624   2HG1  VAL  80          3HG1      VAL  80 -10.223 -17.670   1.341
  625   3HG1  VAL  80          1HG1      VAL  80 -10.708 -19.380   1.251
  626   1HG2  VAL  80          2HG2      VAL  80 -12.437 -16.060   2.410
  627   2HG2  VAL  80          3HG2      VAL  80 -12.256 -16.702   4.060
  628   3HG2  VAL  80          1HG2      VAL  80 -10.817 -16.426   3.048
  629    H    GLN  81           H        GLN  81 -14.208 -18.742  -0.287
  630    HA   GLN  81           HA       GLN  81 -14.482 -21.587  -0.145
  631   1HB   GLN  81          1HB       GLN  81 -16.159 -20.180  -1.328
  632   2HB   GLN  81          2HB       GLN  81 -14.928 -19.644  -2.455
  633   1HG   GLN  81          1HG       GLN  81 -14.563 -22.251  -2.856
  634   2HG   GLN  81          2HG       GLN  81 -16.174 -22.391  -2.178
  635   1HE2  GLN  81          2HE2      GLN  81 -17.538 -21.931  -5.326
  636   2HE2  GLN  81          1HE2      GLN  81 -17.362 -22.887  -3.893
  637    H    SER  82           H        SER  82 -12.340 -19.131  -1.648
  638    HA   SER  82           HA       SER  82 -10.194 -20.845  -1.732
  639   1HB   SER  82          1HB       SER  82 -11.832 -20.743  -4.271
  640   2HB   SER  82          2HB       SER  82 -10.088 -20.863  -4.392
  641    HG   SER  82           HG       SER  82 -11.926 -22.710  -3.158
  642    H    MET  83           H        MET  83  -8.654 -19.296  -1.354
  643    HA   MET  83           HA       MET  83  -9.086 -16.663  -2.397
  644   1HB   MET  83          1HB       MET  83  -8.270 -16.806  -0.118
  645   2HB   MET  83          2HB       MET  83  -7.044 -17.982  -0.545
  646   1HG   MET  83          1HG       MET  83  -6.953 -15.253  -1.851
  647   2HG   MET  83          2HG       MET  83  -6.403 -15.411  -0.195
  648   1HE   MET  83          2HE       MET  83  -4.373 -15.128   0.034
  649   2HE   MET  83          3HE       MET  83  -3.019 -16.163  -0.478
  650   3HE   MET  83          1HE       MET  83  -3.518 -14.786  -1.490
  651    H    ASP  84           H        ASP  84  -7.487 -15.472  -3.683
  652    HA   ASP  84           HA       ASP  84  -5.518 -17.149  -4.974
  653   1HB   ASP  84          1HB       ASP  84  -7.840 -15.740  -6.301
  654   2HB   ASP  84          2HB       ASP  84  -6.316 -15.809  -7.163
  655    H    VAL  85           H        VAL  85  -4.491 -15.348  -6.825
  656    HA   VAL  85           HA       VAL  85  -3.893 -12.997  -5.167
  657    HB   VAL  85           HB       VAL  85  -2.211 -14.371  -7.273
  658   1HG1  VAL  85          1HG1      VAL  85  -2.068 -11.742  -6.154
  659   2HG1  VAL  85          2HG1      VAL  85  -0.691 -12.687  -5.540
  660   3HG1  VAL  85          3HG1      VAL  85  -0.952 -12.532  -7.294
  661   1HG2  VAL  85          2HG2      VAL  85  -2.537 -14.820  -4.383
  662   2HG2  VAL  85          3HG2      VAL  85  -1.820 -15.863  -5.635
  663   3HG2  VAL  85          1HG2      VAL  85  -0.849 -14.570  -4.890
  664    H    ALA  86           H        ALA  86  -4.077 -10.942  -6.065
  665    HA   ALA  86           HA       ALA  86  -5.464 -10.893  -8.638
  666   1HB   ALA  86          3HB       ALA  86  -6.072  -9.741  -6.227
  667   2HB   ALA  86          1HB       ALA  86  -5.198  -8.415  -7.030
  668   3HB   ALA  86          2HB       ALA  86  -6.634  -9.131  -7.802
  669    H    ALA  87           H        ALA  87  -2.465 -10.030  -6.980
  670    HA   ALA  87           HA       ALA  87  -0.946  -9.756  -9.195
  671   1HB   ALA  87          1HB       ALA  87  -2.496  -7.250  -8.592
  672   2HB   ALA  87          2HB       ALA  87  -0.816  -7.106  -9.162
  673   3HB   ALA  87          3HB       ALA  87  -2.026  -7.946 -10.161
  674    H    PHE  88           H        PHE  88   1.148  -8.417  -8.693
  675    HA   PHE  88           HA       PHE  88   1.526  -7.921  -5.880
  676   1HB   PHE  88          1HB       PHE  88   2.069 -10.467  -7.097
  677   2HB   PHE  88          2HB       PHE  88   3.633  -9.691  -6.954
  678    HD1  PHE  88          2HD       PHE  88   4.558  -9.152  -4.750
  679    HD2  PHE  88          1HD       PHE  88   0.838 -11.159  -5.134
  680    HE1  PHE  88          2HE       PHE  88   4.672  -9.826  -2.334
  681    HE2  PHE  88          1HE       PHE  88   0.952 -11.831  -2.719
  682    HZ   PHE  88           HZ       PHE  88   2.868 -11.158  -1.348
  683    H    ASN  89           H        ASN  89   2.281  -5.844  -6.177
  684    HA   ASN  89           HA       ASN  89   4.820  -5.651  -7.487
  685   1HB   ASN  89          1HB       ASN  89   2.309  -4.257  -8.477
  686   2HB   ASN  89          2HB       ASN  89   3.849  -3.439  -8.636
  687   1HD2  ASN  89          2HD2      ASN  89   4.837  -5.142 -11.467
  688   2HD2  ASN  89          1HD2      ASN  89   4.960  -3.785 -10.397
  689    H    LYS  90           H        LYS  90   5.568  -3.152  -7.207
  690    HA   LYS  90           HA       LYS  90   5.213  -2.556  -4.444
  691   1HB   LYS  90          1HB       LYS  90   6.683  -0.532  -5.182
  692   2HB   LYS  90          2HB       LYS  90   7.368  -2.144  -5.140
  693   1HG   LYS  90          1HG       LYS  90   6.052  -1.453  -7.719
  694   2HG   LYS  90          2HG       LYS  90   7.436  -0.450  -7.333
  695   1HD   LYS  90          1HD       LYS  90   8.864  -2.126  -7.872
  696   2HD   LYS  90          2HD       LYS  90   8.104  -3.199  -6.714
  697   1HE   LYS  90          1HE       LYS  90   6.771  -4.219  -8.310
  698   2HE   LYS  90          2HE       LYS  90   6.563  -2.748  -9.238
  699   1HZ   LYS  90          2HZ       LYS  90   9.028  -4.346  -9.154
  700   2HZ   LYS  90          3HZ       LYS  90   7.944  -4.343 -10.375
  701   3HZ   LYS  90          1HZ       LYS  90   8.804  -2.995 -10.043
  702    H    ILE  91           H        ILE  91   4.224  -0.810  -3.508
  703    HA   ILE  91           HA       ILE  91   1.957   0.270  -5.025
  704    HB   ILE  91           HB       ILE  91   1.603  -0.586  -2.754
  705   1HG1  ILE  91          1HG1      ILE  91   1.153   2.070  -1.880
  706   2HG1  ILE  91          2HG1      ILE  91   1.013   2.115  -3.653
  707   1HG2  ILE  91          1HG2      ILE  91   4.092   0.716  -2.274
  708   2HG2  ILE  91          2HG2      ILE  91   2.880   1.533  -1.257
  709   3HG2  ILE  91          3HG2      ILE  91   3.115  -0.226  -1.122
  710   1HD1  ILE  91          1HD1      ILE  91  -0.416  -0.070  -3.327
  711   2HD1  ILE  91          2HD1      ILE  91  -0.586   0.512  -1.654
  712   3HD1  ILE  91          3HD1      ILE  91  -1.160   1.515  -3.007
   
  No H/Q in entry =         712
  Start of MODEL    8
    1   1H    MET   1          3HN       MET   1  10.301   2.303  11.505
    2   2H    MET   1           H        MET   1  10.843   2.795  12.991
    3   3H    MET   1          2HN       MET   1   9.685   3.674  12.198
    4    HA   MET   1           HA       MET   1  11.173   4.900  11.263
    5   1HB   MET   1          1HB       MET   1  12.728   3.174  13.096
    6   2HB   MET   1          2HB       MET   1  13.678   3.903  11.780
    7   1HG   MET   1          1HG       MET   1  13.647   5.878  12.826
    8   2HG   MET   1          2HG       MET   1  11.876   5.890  12.769
    9   1HE   MET   1          3HE       MET   1  10.422   5.669  14.275
   10   2HE   MET   1          1HE       MET   1  10.545   5.200  15.987
   11   3HE   MET   1          2HE       MET   1  11.040   6.831  15.472
   12    H    LEU   2           H        LEU   2  10.112   2.336   9.911
   13    HA   LEU   2           HA       LEU   2  12.358   1.918   8.077
   14   1HB   LEU   2          1HB       LEU   2   9.840   0.299   8.487
   15   2HB   LEU   2          2HB       LEU   2  11.123  -0.071   7.352
   16    HG   LEU   2           HG       LEU   2  11.778   0.193  10.271
   17   1HD1  LEU   2          1HD1      LEU   2   9.759  -1.282  10.063
   18   2HD1  LEU   2          2HD1      LEU   2  10.733  -2.371   9.047
   19   3HD1  LEU   2          3HD1      LEU   2  11.202  -2.075  10.739
   20   1HD2  LEU   2          2HD2      LEU   2  13.231  -0.422   7.960
   21   2HD2  LEU   2          3HD2      LEU   2  13.763  -0.584   9.651
   22   3HD2  LEU   2          1HD2      LEU   2  13.029  -1.972   8.812
   23    H    VAL   3           H        VAL   3  11.528   1.514   5.700
   24    HA   VAL   3           HA       VAL   3   9.244   3.136   5.020
   25    HB   VAL   3           HB       VAL   3  11.289   4.654   5.364
   26   1HG1  VAL   3          1HG1      VAL   3  12.816   3.048   4.099
   27   2HG1  VAL   3          2HG1      VAL   3  12.048   3.651   2.611
   28   3HG1  VAL   3          3HG1      VAL   3  12.939   4.771   3.669
   29   1HG2  VAL   3          3HG2      VAL   3   9.067   4.954   3.918
   30   2HG2  VAL   3          1HG2      VAL   3  10.367   6.170   3.920
   31   3HG2  VAL   3          2HG2      VAL   3  10.245   4.997   2.586
   32    H    ALA   4           H        ALA   4   9.224   3.236   2.411
   33    HA   ALA   4           HA       ALA   4   9.315   2.150   0.463
   34   1HB   ALA   4          2HB       ALA   4  11.695   1.476   1.352
   35   2HB   ALA   4          3HB       ALA   4  10.937  -0.109   1.633
   36   3HB   ALA   4          1HB       ALA   4  10.978   0.580  -0.008
   37    H    LYS   5           H        LYS   5   7.061   1.804   0.625
   38    HA   LYS   5           HA       LYS   5   6.315  -0.800   1.758
   39   1HB   LYS   5          1HB       LYS   5   4.737   1.762   1.411
   40   2HB   LYS   5          2HB       LYS   5   3.993   0.225   1.804
   41   1HG   LYS   5          1HG       LYS   5   6.306   1.327   3.447
   42   2HG   LYS   5          2HG       LYS   5   4.651   1.798   3.776
   43   1HD   LYS   5          1HD       LYS   5   4.649  -1.057   3.509
   44   2HD   LYS   5          2HD       LYS   5   6.023  -0.653   4.519
   45   1HE   LYS   5          1HE       LYS   5   4.060   1.017   5.558
   46   2HE   LYS   5          2HE       LYS   5   3.116  -0.382   5.087
   47   1HZ   LYS   5          3HZ       LYS   5   5.599  -0.709   6.591
   48   2HZ   LYS   5          1HZ       LYS   5   4.197  -0.375   7.359
   49   3HZ   LYS   5          2HZ       LYS   5   4.338  -1.740   6.471
   50    H    SER   6           H        SER   6   4.276  -1.736   0.557
   51    HA   SER   6           HA       SER   6   4.460  -1.169  -2.272
   52   1HB   SER   6          1HB       SER   6   6.011  -2.986  -2.121
   53   2HB   SER   6          2HB       SER   6   5.013  -3.859  -0.976
   54    HG   SER   6           HG       SER   6   5.061  -4.347  -3.508
   55    H    SER   7           H        SER   7   2.639  -2.509  -3.472
   56    HA   SER   7           HA       SER   7   0.345  -2.559  -1.670
   57   1HB   SER   7          1HB       SER   7  -0.396  -0.936  -3.091
   58   2HB   SER   7          2HB       SER   7   0.781  -1.340  -4.324
   59    HG   SER   7           HG       SER   7  -1.780  -1.817  -4.484
   60    H    ILE   8           H        ILE   8  -1.270  -4.251  -2.034
   61    HA   ILE   8           HA       ILE   8  -0.662  -6.280  -3.984
   62    HB   ILE   8           HB       ILE   8  -0.261  -6.714  -1.039
   63   1HG1  ILE   8          1HG1      ILE   8   1.660  -8.129  -2.285
   64   2HG1  ILE   8          2HG1      ILE   8   1.378  -6.917  -3.519
   65   1HG2  ILE   8          1HG2      ILE   8  -1.046  -8.755  -3.122
   66   2HG2  ILE   8          2HG2      ILE   8  -0.184  -9.183  -1.623
   67   3HG2  ILE   8          3HG2      ILE   8  -1.796  -8.433  -1.540
   68   1HD1  ILE   8          1HD1      ILE   8   1.407  -5.451  -1.105
   69   2HD1  ILE   8          2HD1      ILE   8   2.720  -6.641  -0.936
   70   3HD1  ILE   8          3HD1      ILE   8   2.705  -5.523  -2.321
   71    H    LEU   9           H        LEU   9  -2.585  -6.799  -4.863
   72    HA   LEU   9           HA       LEU   9  -4.955  -6.348  -3.203
   73   1HB   LEU   9          1HB       LEU   9  -4.658  -5.111  -5.362
   74   2HB   LEU   9          2HB       LEU   9  -4.762  -6.646  -6.202
   75    HG   LEU   9           HG       LEU   9  -7.047  -6.834  -4.840
   76   1HD1  LEU   9          2HD1      LEU   9  -6.304  -3.957  -4.686
   77   2HD1  LEU   9          3HD1      LEU   9  -7.993  -4.347  -5.090
   78   3HD1  LEU   9          1HD1      LEU   9  -7.275  -4.960  -3.582
   79   1HD2  LEU   9          2HD2      LEU   9  -6.592  -5.280  -7.397
   80   2HD2  LEU   9          3HD2      LEU   9  -6.945  -7.016  -7.220
   81   3HD2  LEU   9          1HD2      LEU   9  -8.190  -5.809  -6.819
   82    H    LEU  10           H        LEU  10  -6.556  -7.968  -2.968
   83    HA   LEU  10           HA       LEU  10  -5.757 -10.611  -3.953
   84   1HB   LEU  10          1HB       LEU  10  -6.075  -9.684  -1.180
   85   2HB   LEU  10          2HB       LEU  10  -6.948 -11.157  -1.555
   86    HG   LEU  10           HG       LEU  10  -4.877 -12.231  -2.305
   87   1HD1  LEU  10          3HD1      LEU  10  -3.827  -9.482  -2.088
   88   2HD1  LEU  10          1HD1      LEU  10  -2.760 -10.757  -1.453
   89   3HD1  LEU  10          2HD1      LEU  10  -3.330 -10.831  -3.138
   90   1HD2  LEU  10          3HD2      LEU  10  -5.646 -11.737   0.281
   91   2HD2  LEU  10          1HD2      LEU  10  -4.381 -12.883  -0.225
   92   3HD2  LEU  10          2HD2      LEU  10  -3.936 -11.239   0.291
   93    H    ASP  11           H        ASP  11  -7.572 -12.130  -4.179
   94    HA   ASP  11           HA       ASP  11 -10.134 -10.758  -4.227
   95   1HB   ASP  11          1HB       ASP  11  -8.602 -11.696  -6.501
   96   2HB   ASP  11          2HB       ASP  11 -10.041 -12.687  -6.364
   97    H    VAL  12           H        VAL  12 -10.729 -11.982  -2.303
   98    HA   VAL  12           HA       VAL  12 -10.505 -14.870  -2.440
   99    HB   VAL  12           HB       VAL  12 -11.619 -13.093  -0.264
  100   1HG1  VAL  12          1HG1      VAL  12 -11.263 -15.995  -0.580
  101   2HG1  VAL  12          2HG1      VAL  12 -10.566 -15.343   0.923
  102   3HG1  VAL  12          3HG1      VAL  12 -12.286 -15.079   0.551
  103   1HG2  VAL  12          3HG2      VAL  12  -9.145 -12.742  -1.034
  104   2HG2  VAL  12          1HG2      VAL  12  -9.514 -12.901   0.700
  105   3HG2  VAL  12          2HG2      VAL  12  -8.857 -14.288  -0.202
  106    H    LYS  13           H        LYS  13 -12.307 -16.302  -2.394
  107    HA   LYS  13           HA       LYS  13 -14.808 -14.999  -3.223
  108   1HB   LYS  13          1HB       LYS  13 -13.276 -16.719  -4.709
  109   2HB   LYS  13          2HB       LYS  13 -14.399 -17.831  -3.953
  110   1HG   LYS  13          1HG       LYS  13 -16.025 -17.185  -5.388
  111   2HG   LYS  13          2HG       LYS  13 -15.926 -15.544  -4.779
  112   1HD   LYS  13          1HD       LYS  13 -14.159 -14.985  -6.386
  113   2HD   LYS  13          2HD       LYS  13 -14.034 -16.655  -6.902
  114   1HE   LYS  13          1HE       LYS  13 -16.284 -16.604  -7.863
  115   2HE   LYS  13          2HE       LYS  13 -16.603 -15.027  -7.168
  116   1HZ   LYS  13          3HZ       LYS  13 -14.297 -14.753  -8.609
  117   2HZ   LYS  13          1HZ       LYS  13 -15.276 -15.651  -9.558
  118   3HZ   LYS  13          2HZ       LYS  13 -15.777 -14.195  -9.016
  119    HA   PRO  14           HA       PRO  14 -16.388 -16.759   0.415
  120   1HB   PRO  14          1HB       PRO  14 -19.000 -16.022   0.108
  121   2HB   PRO  14          2HB       PRO  14 -17.776 -14.955   0.765
  122   1HG   PRO  14          1HG       PRO  14 -19.024 -14.916  -1.915
  123   2HG   PRO  14          2HG       PRO  14 -18.138 -13.644  -1.097
  124   1HD   PRO  14          1HD       PRO  14 -17.169 -15.325  -3.210
  125   2HD   PRO  14          2HD       PRO  14 -16.249 -14.133  -2.314
  126    H    TRP  15           H        TRP  15 -17.924 -18.377   1.260
  127    HA   TRP  15           HA       TRP  15 -17.899 -20.578  -0.521
  128   1HB   TRP  15          1HB       TRP  15 -18.540 -20.047   2.277
  129   2HB   TRP  15          2HB       TRP  15 -19.619 -21.221   1.551
  130    HD1  TRP  15           HD       TRP  15 -16.837 -21.522   3.620
  131    HE1  TRP  15          1HE       TRP  15 -15.214 -23.552   3.172
  132    HE3  TRP  15          3HE       TRP  15 -18.433 -22.427  -1.121
  133    HZ2  TRP  15          2HZ       TRP  15 -14.788 -25.272   0.933
  134    HZ3  TRP  15          3HZ       TRP  15 -17.362 -24.301  -2.369
  135    HH2  TRP  15           HH       TRP  15 -15.599 -25.699  -1.416
  136    H    ASP  16           H        ASP  16 -20.257 -18.082   0.494
  137    HA   ASP  16           HA       ASP  16 -21.750 -18.345  -1.790
  138   1HB   ASP  16          1HB       ASP  16 -22.427 -20.294   0.263
  139   2HB   ASP  16          2HB       ASP  16 -23.769 -19.185   0.064
  140    H    ASP  17           H        ASP  17 -24.210 -17.343  -1.140
  141    HA   ASP  17           HA       ASP  17 -23.721 -14.811  -0.291
  142   1HB   ASP  17          1HB       ASP  17 -25.751 -15.091  -1.427
  143   2HB   ASP  17          2HB       ASP  17 -26.173 -16.540  -0.536
  144    H    GLU  18           H        GLU  18 -24.143 -17.780   1.529
  145    HA   GLU  18           HA       GLU  18 -25.179 -16.729   3.881
  146   1HB   GLU  18          1HB       GLU  18 -24.467 -18.835   4.902
  147   2HB   GLU  18          2HB       GLU  18 -25.122 -19.154   3.309
  148   1HG   GLU  18          1HG       GLU  18 -22.678 -19.014   2.442
  149   2HG   GLU  18          2HG       GLU  18 -22.188 -19.071   4.124
  150    H    THR  19           H        THR  19 -21.898 -16.842   2.509
  151    HA   THR  19           HA       THR  19 -20.551 -16.238   4.940
  152    HB   THR  19           HB       THR  19 -19.882 -16.201   1.966
  153    HG1  THR  19          1HG       THR  19 -19.245 -17.657   4.425
  154   1HG2  THR  19          1HG2      THR  19 -18.270 -15.208   4.334
  155   2HG2  THR  19          2HG2      THR  19 -17.442 -16.121   3.049
  156   3HG2  THR  19          3HG2      THR  19 -18.287 -14.602   2.660
  157    H    ASP  20           H        ASP  20 -20.930 -14.453   6.101
  158    HA   ASP  20           HA       ASP  20 -22.069 -12.182   5.046
  159   1HB   ASP  20          1HB       ASP  20 -20.856 -13.051   7.579
  160   2HB   ASP  20          2HB       ASP  20 -20.535 -11.356   7.275
  161    H    MET  21           H        MET  21 -21.159 -10.412   3.948
  162    HA   MET  21           HA       MET  21 -18.359 -10.570   3.377
  163   1HB   MET  21          1HB       MET  21 -20.395  -8.445   2.521
  164   2HB   MET  21          2HB       MET  21 -18.876  -8.810   1.729
  165   1HG   MET  21          1HG       MET  21 -21.232 -10.745   1.963
  166   2HG   MET  21          2HG       MET  21 -20.836  -9.816   0.531
  167   1HE   MET  21          3HE       MET  21 -18.932 -10.061  -0.912
  168   2HE   MET  21          1HE       MET  21 -18.178 -11.646  -1.213
  169   3HE   MET  21          2HE       MET  21 -19.942 -11.456  -1.363
  170    H    ALA  22           H        ALA  22 -20.228  -9.225   5.853
  171    HA   ALA  22           HA       ALA  22 -18.722  -6.776   6.105
  172   1HB   ALA  22          2HB       ALA  22 -20.996  -8.128   7.557
  173   2HB   ALA  22          3HB       ALA  22 -20.110  -6.796   8.338
  174   3HB   ALA  22          1HB       ALA  22 -20.941  -6.523   6.789
  175    H    LYS  23           H        LYS  23 -18.834 -10.084   7.469
  176    HA   LYS  23           HA       LYS  23 -16.878  -9.420   9.477
  177   1HB   LYS  23          1HB       LYS  23 -17.655 -12.235   8.825
  178   2HB   LYS  23          2HB       LYS  23 -17.315 -11.496  10.377
  179   1HG   LYS  23          1HG       LYS  23 -19.583 -10.126   9.228
  180   2HG   LYS  23          2HG       LYS  23 -19.872 -11.849   9.086
  181   1HD   LYS  23          1HD       LYS  23 -19.545 -12.184  11.481
  182   2HD   LYS  23          2HD       LYS  23 -18.961 -10.545  11.689
  183   1HE   LYS  23          1HE       LYS  23 -21.137 -10.118  12.293
  184   2HE   LYS  23          2HE       LYS  23 -21.392 -10.006  10.562
  185   1HZ   LYS  23          1HZ       LYS  23 -21.748 -12.515  10.742
  186   2HZ   LYS  23          2HZ       LYS  23 -21.981 -12.242  12.335
  187   3HZ   LYS  23          3HZ       LYS  23 -22.948 -11.522  11.233
  188    H    LEU  24           H        LEU  24 -17.059 -11.356   6.422
  189    HA   LEU  24           HA       LEU  24 -14.430 -12.229   6.452
  190   1HB   LEU  24          1HB       LEU  24 -16.655 -12.462   4.817
  191   2HB   LEU  24          2HB       LEU  24 -15.486 -11.647   3.797
  192    HG   LEU  24           HG       LEU  24 -15.167 -14.326   5.169
  193   1HD1  LEU  24          2HD1      LEU  24 -16.402 -13.747   2.808
  194   2HD1  LEU  24          3HD1      LEU  24 -14.738 -14.071   2.265
  195   3HD1  LEU  24          1HD1      LEU  24 -15.625 -15.300   3.201
  196   1HD2  LEU  24          1HD2      LEU  24 -13.113 -12.712   3.636
  197   2HD2  LEU  24          2HD2      LEU  24 -13.041 -13.225   5.339
  198   3HD2  LEU  24          3HD2      LEU  24 -12.949 -14.438   4.039
  199    H    GLU  25           H        GLU  25 -15.895  -9.137   5.375
  200    HA   GLU  25           HA       GLU  25 -13.472  -8.233   4.232
  201   1HB   GLU  25          1HB       GLU  25 -15.744  -7.452   3.518
  202   2HB   GLU  25          2HB       GLU  25 -15.949  -6.659   5.067
  203   1HG   GLU  25          1HG       GLU  25 -13.529  -5.609   4.335
  204   2HG   GLU  25          2HG       GLU  25 -14.220  -5.882   2.747
  205    H    GLU  26           H        GLU  26 -15.312  -7.467   7.268
  206    HA   GLU  26           HA       GLU  26 -13.545  -5.626   8.252
  207   1HB   GLU  26          1HB       GLU  26 -15.528  -7.521   9.520
  208   2HB   GLU  26          2HB       GLU  26 -14.486  -6.565  10.554
  209   1HG   GLU  26          1HG       GLU  26 -15.753  -5.021   8.345
  210   2HG   GLU  26          2HG       GLU  26 -16.894  -5.696   9.492
  211    H    CYS  27           H        CYS  27 -13.729  -9.180   9.024
  212    HA   CYS  27           HA       CYS  27 -11.633  -9.383  10.697
  213   1HB   CYS  27          1HB       CYS  27 -13.220 -11.209   9.857
  214   2HB   CYS  27          2HB       CYS  27 -12.123 -11.415   8.507
  215    HG   CYS  27           HG       CYS  27 -10.368 -11.084  11.068
  216    H    VAL  28           H        VAL  28 -11.537  -9.579   7.063
  217    HA   VAL  28           HA       VAL  28  -8.869  -9.930   6.701
  218    HB   VAL  28           HB       VAL  28 -11.129  -8.827   5.201
  219   1HG1  VAL  28          1HG1      VAL  28  -9.588  -6.921   4.966
  220   2HG1  VAL  28          2HG1      VAL  28  -8.317  -8.021   4.379
  221   3HG1  VAL  28          3HG1      VAL  28  -9.801  -7.786   3.426
  222   1HG2  VAL  28          3HG2      VAL  28  -9.592 -11.117   5.175
  223   2HG2  VAL  28          1HG2      VAL  28 -10.720 -10.609   3.895
  224   3HG2  VAL  28          2HG2      VAL  28  -8.988 -10.228   3.756
  225    H    ARG  29           H        ARG  29 -10.636  -6.899   7.495
  226    HA   ARG  29           HA       ARG  29  -8.322  -5.319   7.211
  227   1HB   ARG  29          1HB       ARG  29 -11.158  -4.950   7.986
  228   2HB   ARG  29          2HB       ARG  29 -10.079  -3.900   8.882
  229   1HG   ARG  29          1HG       ARG  29  -9.793  -4.152   5.871
  230   2HG   ARG  29          2HG       ARG  29 -11.022  -3.101   6.548
  231   1HD   ARG  29          1HD       ARG  29  -8.274  -2.821   7.720
  232   2HD   ARG  29          2HD       ARG  29  -8.454  -2.293   6.059
  233    HE   ARG  29           HE       ARG  29  -9.446  -0.919   8.374
  234   1HH1  ARG  29          2HH2      ARG  29 -10.391  -1.725   5.082
  235   2HH1  ARG  29          1HH2      ARG  29 -11.425  -0.346   4.905
  236   1HH2  ARG  29          2HH1      ARG  29 -10.809   0.900   8.142
  237   2HH2  ARG  29          1HH1      ARG  29 -11.663   1.157   6.658
  238    H    SER  30           H        SER  30 -10.251  -6.545  10.044
  239    HA   SER  30           HA       SER  30  -8.976  -5.491  12.093
  240   1HB   SER  30          1HB       SER  30  -9.832  -7.229  13.387
  241   2HB   SER  30          2HB       SER  30 -10.795  -7.398  11.934
  242    HG   SER  30           HG       SER  30  -9.317  -9.280  13.053
  243    H    ILE  31           H        ILE  31  -7.793  -8.287  10.126
  244    HA   ILE  31           HA       ILE  31  -5.636  -9.067  11.552
  245    HB   ILE  31           HB       ILE  31  -6.186  -8.858   8.617
  246   1HG1  ILE  31          1HG1      ILE  31  -5.566 -11.398  10.056
  247   2HG1  ILE  31          2HG1      ILE  31  -7.078 -10.603  10.449
  248   1HG2  ILE  31          2HG2      ILE  31  -3.544  -9.162   9.845
  249   2HG2  ILE  31          3HG2      ILE  31  -3.981 -10.502   8.758
  250   3HG2  ILE  31          1HG2      ILE  31  -4.001  -8.826   8.158
  251   1HD1  ILE  31          2HD1      ILE  31  -7.101 -10.414   7.697
  252   2HD1  ILE  31          3HD1      ILE  31  -6.250 -11.959   7.938
  253   3HD1  ILE  31          1HD1      ILE  31  -7.878 -11.722   8.621
  254    H    GLN  32           H        GLN  32  -3.710  -8.232  12.209
  255    HA   GLN  32           HA       GLN  32  -2.632  -6.003  10.760
  256   1HB   GLN  32          1HB       GLN  32  -4.292  -5.357  12.834
  257   2HB   GLN  32          2HB       GLN  32  -2.780  -5.513  13.706
  258   1HG   GLN  32          1HG       GLN  32  -1.695  -3.933  12.082
  259   2HG   GLN  32          2HG       GLN  32  -3.222  -3.763  11.240
  260   1HE2  GLN  32          2HE2      GLN  32  -3.015  -0.851  13.426
  261   2HE2  GLN  32          1HE2      GLN  32  -2.262  -1.505  12.010
  262    H    ALA  33           H        ALA  33  -0.369  -5.930  10.903
  263    HA   ALA  33           HA       ALA  33   0.935  -7.407  13.017
  264   1HB   ALA  33          1HB       ALA  33   0.296  -9.010  11.074
  265   2HB   ALA  33          2HB       ALA  33   1.558  -8.159  10.152
  266   3HB   ALA  33          3HB       ALA  33   1.979  -9.021  11.652
  267    H    ASP  34           H        ASP  34   3.411  -7.153  12.752
  268    HA   ASP  34           HA       ASP  34   3.915  -4.442  12.466
  269   1HB   ASP  34          1HB       ASP  34   5.207  -6.583  13.602
  270   2HB   ASP  34          2HB       ASP  34   6.202  -6.351  12.179
  271    H    GLY  35           H        GLY  35   4.903  -3.262  10.730
  272   1HA   GLY  35          1HA       GLY  35   5.630  -2.813   8.649
  273   2HA   GLY  35          2HA       GLY  35   6.187  -4.469   8.526
  274    H    LEU  36           H        LEU  36   2.874  -4.400   9.413
  275    HA   LEU  36           HA       LEU  36   2.129  -4.821   6.603
  276   1HB   LEU  36          1HB       LEU  36   1.953  -6.865   7.761
  277   2HB   LEU  36          2HB       LEU  36   1.201  -6.115   9.154
  278    HG   LEU  36           HG       LEU  36  -0.785  -5.579   7.659
  279   1HD1  LEU  36          3HD1      LEU  36   0.804  -6.184   5.583
  280   2HD1  LEU  36          1HD1      LEU  36   0.027  -7.767   5.822
  281   3HD1  LEU  36          2HD1      LEU  36  -0.970  -6.321   5.529
  282   1HD2  LEU  36          2HD2      LEU  36  -0.507  -7.529   9.327
  283   2HD2  LEU  36          3HD2      LEU  36  -1.826  -7.607   8.134
  284   3HD2  LEU  36          1HD2      LEU  36  -0.337  -8.549   7.878
  285    H    VAL  37           H        VAL  37   0.398  -3.689   5.748
  286    HA   VAL  37           HA       VAL  37  -1.177  -2.072   7.585
  287    HB   VAL  37           HB       VAL  37   0.509  -0.997   5.321
  288   1HG1  VAL  37          1HG1      VAL  37  -1.697   0.403   6.870
  289   2HG1  VAL  37          2HG1      VAL  37  -0.568   1.187   5.739
  290   3HG1  VAL  37          3HG1      VAL  37  -1.725  -0.028   5.143
  291   1HG2  VAL  37          2HG2      VAL  37   0.481  -0.640   8.313
  292   2HG2  VAL  37          3HG2      VAL  37   1.846  -1.004   7.230
  293   3HG2  VAL  37          1HG2      VAL  37   1.137   0.629   7.252
  294    H    TRP  38           H        TRP  38  -3.287  -1.694   6.840
  295    HA   TRP  38           HA       TRP  38  -3.977  -3.268   4.479
  296   1HB   TRP  38          1HB       TRP  38  -5.458  -2.360   6.919
  297   2HB   TRP  38          2HB       TRP  38  -6.347  -2.747   5.459
  298    HD1  TRP  38           HD       TRP  38  -4.945  -4.412   8.467
  299    HE1  TRP  38          1HE       TRP  38  -4.985  -7.048   8.318
  300    HE3  TRP  38          3HE       TRP  38  -5.918  -4.642   3.480
  301    HZ2  TRP  38          2HZ       TRP  38  -5.409  -8.890   6.181
  302    HZ3  TRP  38          3HZ       TRP  38  -6.129  -6.898   2.441
  303    HH2  TRP  38           HH       TRP  38  -5.891  -8.975   3.707
  304    H    GLY  39           H        GLY  39  -6.235  -2.085   3.537
  305   1HA   GLY  39          1HA       GLY  39  -5.752   0.782   3.233
  306   2HA   GLY  39          2HA       GLY  39  -5.608  -0.211   1.796
  307    H    SER  40           H        SER  40  -7.431   0.285   0.608
  308    HA   SER  40           HA       SER  40  -9.954   0.147   2.057
  309   1HB   SER  40          1HB       SER  40  -9.418   1.392  -0.675
  310   2HB   SER  40          2HB       SER  40 -10.904   1.507   0.247
  311    HG   SER  40           HG       SER  40  -8.583   3.006   0.458
  312    H    SER  41           H        SER  41 -11.392  -1.497   1.566
  313    HA   SER  41           HA       SER  41 -10.502  -3.389  -0.399
  314   1HB   SER  41          1HB       SER  41 -12.250  -4.849   0.539
  315   2HB   SER  41          2HB       SER  41 -11.261  -4.176   1.819
  316    HG   SER  41           HG       SER  41 -13.807  -4.131   1.884
  317    H    LYS  42           H        LYS  42 -12.225  -4.384  -1.916
  318    HA   LYS  42           HA       LYS  42 -14.167  -2.346  -2.732
  319   1HB   LYS  42          1HB       LYS  42 -12.661  -3.931  -4.793
  320   2HB   LYS  42          2HB       LYS  42 -13.528  -2.418  -4.968
  321   1HG   LYS  42          1HG       LYS  42 -11.784  -1.336  -3.446
  322   2HG   LYS  42          2HG       LYS  42 -10.881  -2.836  -3.505
  323   1HD   LYS  42          1HD       LYS  42  -9.967  -1.348  -5.198
  324   2HD   LYS  42          2HD       LYS  42 -10.800  -2.652  -6.021
  325   1HE   LYS  42          1HE       LYS  42 -12.043  -1.104  -7.119
  326   2HE   LYS  42          2HE       LYS  42 -12.793  -0.676  -5.595
  327   1HZ   LYS  42          1HZ       LYS  42 -10.240   0.455  -6.500
  328   2HZ   LYS  42          2HZ       LYS  42 -11.685   1.173  -6.751
  329   3HZ   LYS  42          3HZ       LYS  42 -11.138   0.948  -5.228
  330    H    LEU  43           H        LEU  43 -16.006  -3.243  -3.968
  331    HA   LEU  43           HA       LEU  43 -16.363  -6.103  -3.400
  332   1HB   LEU  43          1HB       LEU  43 -17.994  -3.770  -2.640
  333   2HB   LEU  43          2HB       LEU  43 -18.894  -5.099  -3.342
  334    HG   LEU  43           HG       LEU  43 -18.885  -5.273  -0.931
  335   1HD1  LEU  43          2HD1      LEU  43 -17.851  -7.322  -2.692
  336   2HD1  LEU  43          3HD1      LEU  43 -17.228  -7.532  -1.037
  337   3HD1  LEU  43          1HD1      LEU  43 -18.983  -7.456  -1.325
  338   1HD2  LEU  43          1HD2      LEU  43 -16.298  -4.262  -1.081
  339   2HD2  LEU  43          2HD2      LEU  43 -17.148  -4.813   0.382
  340   3HD2  LEU  43          3HD2      LEU  43 -16.084  -5.931  -0.504
  341    H    VAL  44           H        VAL  44 -17.749  -7.256  -4.919
  342    HA   VAL  44           HA       VAL  44 -18.489  -5.854  -7.326
  343    HB   VAL  44           HB       VAL  44 -16.344  -7.986  -7.304
  344   1HG1  VAL  44          3HG1      VAL  44 -18.311  -7.338  -9.321
  345   2HG1  VAL  44          1HG1      VAL  44 -16.675  -6.957  -9.910
  346   3HG1  VAL  44          2HG1      VAL  44 -17.052  -8.597  -9.330
  347   1HG2  VAL  44          3HG2      VAL  44 -16.358  -5.035  -7.953
  348   2HG2  VAL  44          1HG2      VAL  44 -15.287  -5.939  -6.855
  349   3HG2  VAL  44          2HG2      VAL  44 -15.123  -6.131  -8.617
  350    HA   PRO  45           HA       PRO  45 -21.391  -9.054  -6.364
  351   1HB   PRO  45          1HB       PRO  45 -23.586  -7.792  -7.396
  352   2HB   PRO  45          2HB       PRO  45 -23.062  -7.598  -5.736
  353   1HG   PRO  45          1HG       PRO  45 -22.791  -5.713  -7.997
  354   2HG   PRO  45          2HG       PRO  45 -22.672  -5.391  -6.279
  355   1HD   PRO  45          1HD       PRO  45 -20.499  -5.609  -8.139
  356   2HD   PRO  45          2HD       PRO  45 -20.375  -5.402  -6.404
  357    H    VAL  46           H        VAL  46 -21.919 -10.878  -7.439
  358    HA   VAL  46           HA       VAL  46 -22.338 -10.596 -10.289
  359    HB   VAL  46           HB       VAL  46 -19.923 -10.790 -10.110
  360   1HG1  VAL  46          1HG1      VAL  46 -19.908 -11.957  -7.889
  361   2HG1  VAL  46          2HG1      VAL  46 -20.364 -13.457  -8.730
  362   3HG1  VAL  46          3HG1      VAL  46 -18.811 -12.669  -9.097
  363   1HG2  VAL  46          1HG2      VAL  46 -21.635 -12.762 -11.431
  364   2HG2  VAL  46          2HG2      VAL  46 -20.246 -11.843 -12.062
  365   3HG2  VAL  46          3HG2      VAL  46 -19.978 -13.356 -11.164
  366    H    GLY  47           H        GLY  47 -24.218 -11.114  -8.298
  367   1HA   GLY  47          1HA       GLY  47 -25.675 -13.174  -9.104
  368   2HA   GLY  47          2HA       GLY  47 -24.512 -14.008  -8.092
  369    H    TYR  48           H        TYR  48 -27.438 -12.183  -8.163
  370    HA   TYR  48           HA       TYR  48 -27.648 -10.791  -5.905
  371   1HB   TYR  48          1HB       TYR  48 -29.330 -11.893  -7.762
  372   2HB   TYR  48          2HB       TYR  48 -29.662 -13.010  -6.453
  373    HD1  TYR  48          1HD       TYR  48 -29.645  -9.369  -7.289
  374    HD2  TYR  48          2HD       TYR  48 -31.205 -12.450  -4.766
  375    HE1  TYR  48          1HE       TYR  48 -31.311  -7.724  -6.299
  376    HE2  TYR  48          2HE       TYR  48 -32.867 -10.795  -3.785
  377    HH   TYR  48           HH       TYR  48 -33.961  -8.703  -4.506
  378    H    GLY  49           H        GLY  49 -26.404 -11.338  -4.102
  379   1HA   GLY  49          1HA       GLY  49 -27.038 -12.440  -1.948
  380   2HA   GLY  49          2HA       GLY  49 -27.042 -13.942  -2.851
  381    H    ILE  50           H        ILE  50 -24.800 -13.644  -4.542
  382    HA   ILE  50           HA       ILE  50 -22.685 -13.811  -2.544
  383    HB   ILE  50           HB       ILE  50 -22.953 -14.794  -5.381
  384   1HG1  ILE  50          1HG1      ILE  50 -22.251 -16.862  -3.616
  385   2HG1  ILE  50          2HG1      ILE  50 -23.449 -15.923  -2.750
  386   1HG2  ILE  50          2HG2      ILE  50 -20.662 -13.991  -5.038
  387   2HG2  ILE  50          3HG2      ILE  50 -20.527 -14.993  -3.573
  388   3HG2  ILE  50          1HG2      ILE  50 -20.726 -15.765  -5.165
  389   1HD1  ILE  50          1HD1      ILE  50 -23.850 -16.779  -5.645
  390   2HD1  ILE  50          2HD1      ILE  50 -24.363 -17.779  -4.266
  391   3HD1  ILE  50          3HD1      ILE  50 -25.075 -16.165  -4.508
  392    H    LYS  51           H        LYS  51 -20.531 -12.855  -3.065
  393    HA   LYS  51           HA       LYS  51 -20.513 -10.742  -5.010
  394   1HB   LYS  51          1HB       LYS  51 -21.212 -10.183  -2.243
  395   2HB   LYS  51          2HB       LYS  51 -19.736  -9.356  -2.699
  396   1HG   LYS  51          1HG       LYS  51 -20.792  -8.209  -4.515
  397   2HG   LYS  51          2HG       LYS  51 -22.157  -9.308  -4.534
  398   1HD   LYS  51          1HD       LYS  51 -21.540  -7.497  -2.158
  399   2HD   LYS  51          2HD       LYS  51 -22.579  -6.999  -3.479
  400   1HE   LYS  51          1HE       LYS  51 -23.382  -9.647  -2.566
  401   2HE   LYS  51          2HE       LYS  51 -23.293  -8.561  -1.193
  402   1HZ   LYS  51          2HZ       LYS  51 -24.688  -7.861  -3.677
  403   2HZ   LYS  51          3HZ       LYS  51 -25.432  -8.566  -2.406
  404   3HZ   LYS  51          1HZ       LYS  51 -24.767  -7.083  -2.243
  405    H    LYS  52           H        LYS  52 -18.298  -9.667  -5.043
  406    HA   LYS  52           HA       LYS  52 -16.345 -11.753  -4.629
  407   1HB   LYS  52          1HB       LYS  52 -16.757  -9.802  -6.572
  408   2HB   LYS  52          2HB       LYS  52 -15.372  -9.204  -5.682
  409   1HG   LYS  52          1HG       LYS  52 -14.354 -11.554  -5.894
  410   2HG   LYS  52          2HG       LYS  52 -15.663 -11.945  -6.990
  411   1HD   LYS  52          1HD       LYS  52 -14.507  -9.412  -7.801
  412   2HD   LYS  52          2HD       LYS  52 -13.211 -10.573  -7.586
  413   1HE   LYS  52          1HE       LYS  52 -15.475 -11.823  -8.959
  414   2HE   LYS  52          2HE       LYS  52 -14.978 -10.369  -9.803
  415   1HZ   LYS  52          1HZ       LYS  52 -12.644 -11.332  -9.468
  416   2HZ   LYS  52          2HZ       LYS  52 -13.411 -12.754  -9.230
  417   3HZ   LYS  52          3HZ       LYS  52 -13.592 -11.957 -10.643
  418    H    LEU  53           H        LEU  53 -14.666 -11.731  -3.152
  419    HA   LEU  53           HA       LEU  53 -14.875  -9.620  -1.136
  420   1HB   LEU  53          1HB       LEU  53 -14.764 -12.416  -0.976
  421   2HB   LEU  53          2HB       LEU  53 -13.189 -11.865  -0.440
  422    HG   LEU  53           HG       LEU  53 -15.000 -12.200   1.328
  423   1HD1  LEU  53          2HD1      LEU  53 -12.901 -10.286   1.093
  424   2HD1  LEU  53          3HD1      LEU  53 -14.242  -9.535   1.991
  425   3HD1  LEU  53          1HD1      LEU  53 -13.542 -11.071   2.555
  426   1HD2  LEU  53          3HD2      LEU  53 -16.622 -10.783  -0.238
  427   2HD2  LEU  53          1HD2      LEU  53 -16.791 -10.811   1.534
  428   3HD2  LEU  53          2HD2      LEU  53 -15.973  -9.444   0.739
  429    H    GLN  54           H        GLN  54 -13.767  -8.309  -2.993
  430    HA   GLN  54           HA       GLN  54 -10.958  -8.914  -3.165
  431   1HB   GLN  54          1HB       GLN  54 -11.956  -8.256  -5.243
  432   2HB   GLN  54          2HB       GLN  54 -12.771  -6.886  -4.515
  433   1HG   GLN  54          1HG       GLN  54 -10.836  -5.575  -4.452
  434   2HG   GLN  54          2HG       GLN  54  -9.769  -6.959  -4.312
  435   1HE2  GLN  54          2HE2      GLN  54  -9.463  -7.622  -7.761
  436   2HE2  GLN  54          1HE2      GLN  54  -9.349  -8.260  -6.155
  437    H    ILE  55           H        ILE  55  -9.298  -7.691  -2.220
  438    HA   ILE  55           HA       ILE  55  -9.993  -5.226  -0.882
  439    HB   ILE  55           HB       ILE  55  -9.714  -5.853   1.265
  440   1HG1  ILE  55          1HG1      ILE  55  -7.415  -6.702   0.928
  441   2HG1  ILE  55          2HG1      ILE  55  -8.326  -7.634   2.099
  442   1HG2  ILE  55          2HG2      ILE  55 -10.659  -8.437  -0.004
  443   2HG2  ILE  55          3HG2      ILE  55 -10.825  -8.008   1.715
  444   3HG2  ILE  55          1HG2      ILE  55 -11.667  -7.050   0.473
  445   1HD1  ILE  55          1HD1      ILE  55  -8.057  -8.421  -0.837
  446   2HD1  ILE  55          2HD1      ILE  55  -7.015  -9.047   0.463
  447   3HD1  ILE  55          3HD1      ILE  55  -8.760  -9.400   0.472
  448    H    GLN  56           H        GLN  56  -7.948  -4.177   0.029
  449    HA   GLN  56           HA       GLN  56  -5.633  -5.132  -1.458
  450   1HB   GLN  56          1HB       GLN  56  -6.518  -3.275  -2.747
  451   2HB   GLN  56          2HB       GLN  56  -6.699  -2.284  -1.313
  452   1HG   GLN  56          1HG       GLN  56  -3.943  -3.237  -1.539
  453   2HG   GLN  56          2HG       GLN  56  -4.431  -2.439  -3.021
  454   1HE2  GLN  56          2HE2      GLN  56  -5.345   0.666  -1.274
  455   2HE2  GLN  56          1HE2      GLN  56  -6.078  -0.493  -2.332
  456    H    CYS  57           H        CYS  57  -3.606  -4.858  -0.409
  457    HA   CYS  57           HA       CYS  57  -3.790  -3.710   2.279
  458   1HB   CYS  57          1HB       CYS  57  -2.115  -5.512   2.962
  459   2HB   CYS  57          2HB       CYS  57  -3.776  -6.019   2.732
  460    HG   CYS  57           HG       CYS  57  -1.225  -6.209   0.628
  461    H    VAL  58           H        VAL  58  -1.248  -3.560   3.076
  462    HA   VAL  58           HA       VAL  58   0.394  -2.722   0.819
  463    HB   VAL  58           HB       VAL  58  -0.274  -0.964   3.189
  464   1HG1  VAL  58          1HG1      VAL  58   2.107  -0.881   2.250
  465   2HG1  VAL  58          2HG1      VAL  58   1.379  -0.205   0.772
  466   3HG1  VAL  58          3HG1      VAL  58   1.211   0.655   2.321
  467   1HG2  VAL  58          2HG2      VAL  58  -1.307  -1.109   0.396
  468   2HG2  VAL  58          3HG2      VAL  58  -2.116  -0.597   1.897
  469   3HG2  VAL  58          1HG2      VAL  58  -0.997   0.510   1.066
  470    H    VAL  59           H        VAL  59   2.128  -4.045   1.050
  471    HA   VAL  59           HA       VAL  59   2.963  -4.751   3.745
  472    HB   VAL  59           HB       VAL  59   4.077  -6.537   2.788
  473   1HG1  VAL  59          1HG1      VAL  59   1.559  -6.579   2.486
  474   2HG1  VAL  59          2HG1      VAL  59   1.838  -6.136   0.785
  475   3HG1  VAL  59          3HG1      VAL  59   2.483  -7.667   1.424
  476   1HG2  VAL  59          2HG2      VAL  59   5.380  -5.193   1.152
  477   2HG2  VAL  59          3HG2      VAL  59   4.777  -6.725   0.473
  478   3HG2  VAL  59          1HG2      VAL  59   3.967  -5.192   0.068
  479    H    GLU  60           H        GLU  60   5.427  -4.782   4.129
  480    HA   GLU  60           HA       GLU  60   6.385  -2.183   3.281
  481   1HB   GLU  60          1HB       GLU  60   6.576  -2.235   5.594
  482   2HB   GLU  60          2HB       GLU  60   6.851  -3.964   5.648
  483   1HG   GLU  60          1HG       GLU  60   9.139  -3.764   5.272
  484   2HG   GLU  60          2HG       GLU  60   8.965  -2.325   4.287
  485    H    ASP  61           H        ASP  61   7.632  -2.190   1.460
  486    HA   ASP  61           HA       ASP  61   9.011  -2.854  -0.088
  487   1HB   ASP  61          1HB       ASP  61  10.776  -2.290   1.399
  488   2HB   ASP  61          2HB       ASP  61  10.449  -3.647   2.457
  489    H    ASP  62           H        ASP  62  10.140  -5.541   2.000
  490    HA   ASP  62           HA       ASP  62   8.477  -7.406   0.557
  491   1HB   ASP  62          1HB       ASP  62  11.019  -6.944  -0.366
  492   2HB   ASP  62          2HB       ASP  62  11.358  -8.184   0.824
  493    H    LYS  63           H        LYS  63   8.861  -6.266   3.372
  494    HA   LYS  63           HA       LYS  63  10.013  -8.468   4.843
  495   1HB   LYS  63          1HB       LYS  63   9.740  -5.725   5.278
  496   2HB   LYS  63          2HB       LYS  63   8.598  -6.442   6.397
  497   1HG   LYS  63          1HG       LYS  63  10.496  -6.597   7.711
  498   2HG   LYS  63          2HG       LYS  63  10.648  -8.124   6.866
  499   1HD   LYS  63          1HD       LYS  63  11.899  -5.574   5.771
  500   2HD   LYS  63          2HD       LYS  63  12.737  -6.575   6.940
  501   1HE   LYS  63          1HE       LYS  63  12.443  -8.556   5.381
  502   2HE   LYS  63          2HE       LYS  63  11.738  -7.474   4.196
  503   1HZ   LYS  63          1HZ       LYS  63  13.856  -6.158   4.471
  504   2HZ   LYS  63          2HZ       LYS  63  14.475  -7.467   5.225
  505   3HZ   LYS  63          3HZ       LYS  63  13.973  -7.579   3.675
  506    H    VAL  64           H        VAL  64   6.808  -7.095   4.015
  507    HA   VAL  64           HA       VAL  64   5.597  -9.359   5.440
  508    HB   VAL  64           HB       VAL  64   4.651  -6.580   4.784
  509   1HG1  VAL  64          1HG1      VAL  64   3.043  -9.036   4.943
  510   2HG1  VAL  64          2HG1      VAL  64   2.511  -7.757   6.060
  511   3HG1  VAL  64          3HG1      VAL  64   2.622  -7.424   4.315
  512   1HG2  VAL  64          3HG2      VAL  64   5.263  -8.159   7.244
  513   2HG2  VAL  64          1HG2      VAL  64   5.560  -6.442   6.877
  514   3HG2  VAL  64          2HG2      VAL  64   3.925  -6.986   7.326
  515    H    GLY  65           H        GLY  65   4.477 -10.886   4.290
  516   1HA   GLY  65          1HA       GLY  65   3.965 -10.299   1.439
  517   2HA   GLY  65          2HA       GLY  65   4.742 -11.784   1.949
  518    H    THR  66           H        THR  66   2.366 -11.918   0.494
  519    HA   THR  66           HA       THR  66   0.121 -12.107   2.269
  520    HB   THR  66           HB       THR  66   0.553 -13.048  -0.616
  521    HG1  THR  66          1HG       THR  66   0.907 -10.723  -0.120
  522   1HG2  THR  66          3HG2      THR  66  -1.598 -13.691   0.932
  523   2HG2  THR  66          1HG2      THR  66  -2.069 -12.040   0.459
  524   3HG2  THR  66          2HG2      THR  66  -1.760 -13.270  -0.790
  525    H    ASP  67           H        ASP  67   1.940 -13.521   3.608
  526    HA   ASP  67           HA       ASP  67   1.400 -16.281   2.870
  527   1HB   ASP  67          1HB       ASP  67   3.230 -16.596   4.786
  528   2HB   ASP  67          2HB       ASP  67   3.703 -16.203   3.145
  529    H    MET  68           H        MET  68   1.736 -14.042   5.730
  530    HA   MET  68           HA       MET  68   0.417 -15.829   7.461
  531   1HB   MET  68          1HB       MET  68   2.059 -13.648   7.768
  532   2HB   MET  68          2HB       MET  68   0.513 -12.873   8.053
  533   1HG   MET  68          1HG       MET  68   0.138 -15.028   9.640
  534   2HG   MET  68          2HG       MET  68   1.891 -15.015   9.668
  535   1HE   MET  68          2HE       MET  68  -1.072 -12.837   9.499
  536   2HE   MET  68          3HE       MET  68  -1.053 -11.857  10.985
  537   3HE   MET  68          1HE       MET  68  -0.166 -11.305   9.545
  538    H    LEU  69           H        LEU  69  -0.545 -12.877   5.623
  539    HA   LEU  69           HA       LEU  69  -3.051 -12.533   6.736
  540   1HB   LEU  69          1HB       LEU  69  -2.190 -12.001   3.889
  541   2HB   LEU  69          2HB       LEU  69  -3.569 -11.296   4.707
  542    HG   LEU  69           HG       LEU  69  -0.888 -10.903   5.958
  543   1HD1  LEU  69          3HD1      LEU  69  -0.733 -10.551   3.395
  544   2HD1  LEU  69          1HD1      LEU  69  -1.705  -9.090   3.701
  545   3HD1  LEU  69          2HD1      LEU  69  -0.119  -9.284   4.485
  546   1HD2  LEU  69          2HD2      LEU  69  -3.376  -9.206   5.639
  547   2HD2  LEU  69          3HD2      LEU  69  -2.787 -10.013   7.112
  548   3HD2  LEU  69          1HD2      LEU  69  -1.874  -8.653   6.418
  549    H    GLU  70           H        GLU  70  -1.921 -14.705   4.098
  550    HA   GLU  70           HA       GLU  70  -4.448 -15.532   3.323
  551   1HB   GLU  70          1HB       GLU  70  -2.428 -15.916   1.969
  552   2HB   GLU  70          2HB       GLU  70  -1.766 -16.979   3.196
  553   1HG   GLU  70          1HG       GLU  70  -4.038 -18.321   2.868
  554   2HG   GLU  70          2HG       GLU  70  -4.114 -17.461   1.343
  555    H    GLU  71           H        GLU  71  -2.039 -17.131   5.535
  556    HA   GLU  71           HA       GLU  71  -3.679 -19.224   6.232
  557   1HB   GLU  71          1HB       GLU  71  -1.245 -17.914   7.386
  558   2HB   GLU  71          2HB       GLU  71  -2.144 -18.963   8.464
  559   1HG   GLU  71          1HG       GLU  71  -2.000 -20.822   6.824
  560   2HG   GLU  71          2HG       GLU  71  -1.178 -19.777   5.681
  561    H    GLN  72           H        GLN  72  -4.019 -15.881   6.917
  562    HA   GLN  72           HA       GLN  72  -5.483 -16.413   9.360
  563   1HB   GLN  72          1HB       GLN  72  -4.728 -13.769   8.037
  564   2HB   GLN  72          2HB       GLN  72  -5.533 -13.926   9.586
  565   1HG   GLN  72          1HG       GLN  72  -3.083 -15.571   9.414
  566   2HG   GLN  72          2HG       GLN  72  -2.761 -13.866   9.170
  567   1HE2  GLN  72          2HE2      GLN  72  -3.825 -15.393  12.814
  568   2HE2  GLN  72          1HE2      GLN  72  -3.763 -16.333  11.360
  569    H    ILE  73           H        ILE  73  -5.868 -14.927   6.080
  570    HA   ILE  73           HA       ILE  73  -8.652 -14.472   6.451
  571    HB   ILE  73           HB       ILE  73  -6.966 -14.504   3.945
  572   1HG1  ILE  73          1HG1      ILE  73  -7.821 -12.018   5.396
  573   2HG1  ILE  73          2HG1      ILE  73  -6.416 -12.900   5.959
  574   1HG2  ILE  73          1HG2      ILE  73  -9.740 -14.460   4.174
  575   2HG2  ILE  73          2HG2      ILE  73  -9.286 -12.753   3.954
  576   3HG2  ILE  73          3HG2      ILE  73  -8.772 -13.971   2.762
  577   1HD1  ILE  73          3HD1      ILE  73  -5.542 -12.839   3.543
  578   2HD1  ILE  73          1HD1      ILE  73  -6.857 -11.689   3.200
  579   3HD1  ILE  73          2HD1      ILE  73  -5.599 -11.274   4.389
  580    H    THR  74           H        THR  74  -6.690 -16.885   4.581
  581    HA   THR  74           HA       THR  74  -9.030 -18.377   3.877
  582    HB   THR  74           HB       THR  74  -7.447 -19.730   2.678
  583    HG1  THR  74          1HG       THR  74  -5.917 -20.276   4.245
  584   1HG2  THR  74          3HG2      THR  74  -7.352 -17.089   2.196
  585   2HG2  THR  74          1HG2      THR  74  -5.727 -17.251   2.904
  586   3HG2  THR  74          2HG2      THR  74  -6.162 -18.186   1.452
  587    H    ALA  75           H        ALA  75  -7.587 -17.911   6.824
  588    HA   ALA  75           HA       ALA  75  -7.373 -20.562   7.762
  589   1HB   ALA  75          2HB       ALA  75  -6.899 -17.926   8.688
  590   2HB   ALA  75          3HB       ALA  75  -8.062 -18.649   9.825
  591   3HB   ALA  75          1HB       ALA  75  -6.506 -19.454   9.513
  592    H    PHE  76           H        PHE  76 -10.063 -18.501   6.967
  593    HA   PHE  76           HA       PHE  76 -11.844 -20.091   8.651
  594   1HB   PHE  76          1HB       PHE  76 -11.703 -17.361   7.468
  595   2HB   PHE  76          2HB       PHE  76 -13.269 -18.103   7.209
  596    HD1  PHE  76          2HD       PHE  76 -13.748 -19.598   9.649
  597    HD2  PHE  76          1HD       PHE  76 -11.941 -15.791   9.146
  598    HE1  PHE  76          2HE       PHE  76 -14.435 -18.963  11.979
  599    HE2  PHE  76          1HE       PHE  76 -12.627 -15.158  11.475
  600    HZ   PHE  76           HZ       PHE  76 -13.866 -16.751  12.863
  601    H    GLU  77           H        GLU  77 -11.943 -22.054   7.458
  602    HA   GLU  77           HA       GLU  77 -12.471 -21.948   4.673
  603   1HB   GLU  77          1HB       GLU  77 -11.772 -23.957   6.667
  604   2HB   GLU  77          2HB       GLU  77 -13.083 -24.542   5.664
  605   1HG   GLU  77          1HG       GLU  77 -11.485 -23.457   3.727
  606   2HG   GLU  77          2HG       GLU  77 -10.261 -23.880   4.909
  607    H    ASP  78           H        ASP  78 -14.364 -21.265   7.344
  608    HA   ASP  78           HA       ASP  78 -16.728 -22.531   6.268
  609   1HB   ASP  78          1HB       ASP  78 -15.897 -21.336   8.870
  610   2HB   ASP  78          2HB       ASP  78 -17.563 -21.016   8.430
  611    H    TYR  79           H        TYR  79 -15.041 -20.042   5.244
  612    HA   TYR  79           HA       TYR  79 -17.374 -18.437   4.620
  613   1HB   TYR  79          1HB       TYR  79 -14.833 -17.566   6.116
  614   2HB   TYR  79          2HB       TYR  79 -15.828 -16.395   5.274
  615    HD1  TYR  79          2HD       TYR  79 -15.836 -18.878   8.043
  616    HD2  TYR  79          1HD       TYR  79 -17.822 -15.537   6.253
  617    HE1  TYR  79          2HE       TYR  79 -17.320 -18.652  10.094
  618    HE2  TYR  79          1HE       TYR  79 -19.300 -15.324   8.311
  619    HH   TYR  79           HH       TYR  79 -18.946 -17.590  11.028
  620    H    VAL  80           H        VAL  80 -13.797 -18.916   4.351
  621    HA   VAL  80           HA       VAL  80 -13.793 -17.610   1.776
  622    HB   VAL  80           HB       VAL  80 -11.684 -18.930   3.487
  623   1HG1  VAL  80          1HG1      VAL  80 -11.600 -18.628   0.691
  624   2HG1  VAL  80          2HG1      VAL  80 -10.616 -17.297   1.346
  625   3HG1  VAL  80          3HG1      VAL  80 -10.240 -18.980   1.784
  626   1HG2  VAL  80          3HG2      VAL  80 -12.628 -16.136   3.032
  627   2HG2  VAL  80          1HG2      VAL  80 -12.009 -16.914   4.508
  628   3HG2  VAL  80          2HG2      VAL  80 -10.878 -16.388   3.239
  629    H    GLN  81           H        GLN  81 -14.162 -18.621  -0.129
  630    HA   GLN  81           HA       GLN  81 -14.501 -21.461  -0.055
  631   1HB   GLN  81          1HB       GLN  81 -16.124 -20.025  -1.251
  632   2HB   GLN  81          2HB       GLN  81 -14.859 -19.440  -2.312
  633   1HG   GLN  81          1HG       GLN  81 -14.539 -22.140  -2.657
  634   2HG   GLN  81          2HG       GLN  81 -16.253 -22.089  -2.296
  635   1HE2  GLN  81          2HE2      GLN  81 -16.303 -21.793  -5.866
  636   2HE2  GLN  81          1HE2      GLN  81 -16.172 -22.937  -4.572
  637    H    SER  82           H        SER  82 -12.292 -19.023  -1.508
  638    HA   SER  82           HA       SER  82 -10.146 -20.717  -1.525
  639   1HB   SER  82          1HB       SER  82  -9.881 -21.151  -3.992
  640   2HB   SER  82          2HB       SER  82 -11.195 -22.046  -3.255
  641    HG   SER  82           HG       SER  82 -11.464 -19.572  -4.743
  642    H    MET  83           H        MET  83  -8.748 -19.043  -1.067
  643    HA   MET  83           HA       MET  83  -9.156 -16.506  -2.296
  644   1HB   MET  83          1HB       MET  83  -8.403 -16.520   0.008
  645   2HB   MET  83          2HB       MET  83  -7.145 -17.695  -0.327
  646   1HG   MET  83          1HG       MET  83  -6.006 -15.964  -1.807
  647   2HG   MET  83          2HG       MET  83  -7.211 -14.797  -1.298
  648   1HE   MET  83          3HE       MET  83  -4.123 -14.706  -1.133
  649   2HE   MET  83          1HE       MET  83  -3.427 -14.778   0.503
  650   3HE   MET  83          2HE       MET  83  -3.724 -16.279  -0.405
  651    H    ASP  84           H        ASP  84  -7.499 -15.335  -3.555
  652    HA   ASP  84           HA       ASP  84  -5.467 -17.022  -4.711
  653   1HB   ASP  84          1HB       ASP  84  -7.778 -15.756  -6.198
  654   2HB   ASP  84          2HB       ASP  84  -6.225 -15.863  -7.003
  655    H    VAL  85           H        VAL  85  -4.424 -15.308  -6.622
  656    HA   VAL  85           HA       VAL  85  -3.926 -12.864  -5.075
  657    HB   VAL  85           HB       VAL  85  -2.047 -14.465  -5.433
  658   1HG1  VAL  85          1HG1      VAL  85  -3.013 -14.490  -8.090
  659   2HG1  VAL  85          2HG1      VAL  85  -1.417 -13.703  -8.144
  660   3HG1  VAL  85          3HG1      VAL  85  -1.584 -15.327  -7.438
  661   1HG2  VAL  85          3HG2      VAL  85  -2.085 -11.596  -6.102
  662   2HG2  VAL  85          1HG2      VAL  85  -1.039 -12.502  -4.983
  663   3HG2  VAL  85          2HG2      VAL  85  -0.664 -12.472  -6.723
  664    H    ALA  86           H        ALA  86  -4.024 -10.832  -6.109
  665    HA   ALA  86           HA       ALA  86  -5.469 -10.919  -8.657
  666   1HB   ALA  86          3HB       ALA  86  -6.425  -9.826  -6.516
  667   2HB   ALA  86          1HB       ALA  86  -5.214  -8.550  -6.784
  668   3HB   ALA  86          2HB       ALA  86  -6.460  -8.867  -8.015
  669    H    ALA  87           H        ALA  87  -2.507  -9.910  -7.015
  670    HA   ALA  87           HA       ALA  87  -0.978  -9.675  -9.224
  671   1HB   ALA  87          2HB       ALA  87  -2.674  -7.249  -8.799
  672   2HB   ALA  87          3HB       ALA  87  -0.966  -6.982  -9.218
  673   3HB   ALA  87          1HB       ALA  87  -2.010  -7.930 -10.303
  674    H    PHE  88           H        PHE  88   0.999  -8.042  -8.749
  675    HA   PHE  88           HA       PHE  88   1.343  -7.565  -5.932
  676   1HB   PHE  88          1HB       PHE  88   2.178 -10.011  -7.253
  677   2HB   PHE  88          2HB       PHE  88   3.633  -9.083  -6.950
  678    HD1  PHE  88          1HD       PHE  88   0.631 -10.480  -5.272
  679    HD2  PHE  88          2HD       PHE  88   4.597  -9.040  -4.814
  680    HE1  PHE  88          1HE       PHE  88   0.646 -11.277  -2.892
  681    HE2  PHE  88          2HE       PHE  88   4.611  -9.837  -2.433
  682    HZ   PHE  88           HZ       PHE  88   2.635 -10.946  -1.501
  683    H    ASN  89           H        ASN  89   1.796  -5.395  -6.323
  684    HA   ASN  89           HA       ASN  89   4.303  -4.963  -7.699
  685   1HB   ASN  89          1HB       ASN  89   1.637  -3.648  -8.355
  686   2HB   ASN  89          2HB       ASN  89   3.127  -2.769  -8.630
  687   1HD2  ASN  89          2HD2      ASN  89   1.795  -5.338 -11.353
  688   2HD2  ASN  89          1HD2      ASN  89   0.890  -4.595 -10.077
  689    H    LYS  90           H        LYS  90   4.556  -2.221  -7.434
  690    HA   LYS  90           HA       LYS  90   4.718  -1.906  -4.605
  691   1HB   LYS  90          1HB       LYS  90   6.467  -1.112  -6.153
  692   2HB   LYS  90          2HB       LYS  90   5.337   0.024  -6.861
  693   1HG   LYS  90          1HG       LYS  90   5.277   1.385  -4.943
  694   2HG   LYS  90          2HG       LYS  90   5.713   0.074  -3.865
  695   1HD   LYS  90          1HD       LYS  90   8.003   0.239  -4.353
  696   2HD   LYS  90          2HD       LYS  90   7.728   0.907  -5.950
  697   1HE   LYS  90          1HE       LYS  90   6.622   2.730  -3.981
  698   2HE   LYS  90          2HE       LYS  90   8.262   2.327  -3.512
  699   1HZ   LYS  90          2HZ       LYS  90   8.592   2.726  -6.088
  700   2HZ   LYS  90          3HZ       LYS  90   7.332   3.736  -5.842
  701   3HZ   LYS  90          1HZ       LYS  90   8.711   3.927  -4.988
  702    H    ILE  91           H        ILE  91   3.928   0.112  -3.552
  703    HA   ILE  91           HA       ILE  91   1.106   0.585  -4.370
  704    HB   ILE  91           HB       ILE  91   1.257  -0.424  -2.191
  705   1HG1  ILE  91          1HG1      ILE  91   0.899   2.071  -0.905
  706   2HG1  ILE  91          2HG1      ILE  91   0.376   2.320  -2.588
  707   1HG2  ILE  91          3HG2      ILE  91   3.767   0.632  -2.072
  708   2HG2  ILE  91          1HG2      ILE  91   2.899   1.763  -1.007
  709   3HG2  ILE  91          2HG2      ILE  91   2.891   0.020  -0.648
  710   1HD1  ILE  91          1HD1      ILE  91  -0.495  -0.156  -1.092
  711   2HD1  ILE  91          2HD1      ILE  91  -1.340   1.386  -0.821
  712   3HD1  ILE  91          3HD1      ILE  91  -1.288   0.674  -2.451
   
  No H/Q in entry =         712
  Start of MODEL    9
    1   1H    MET   1          2HN       MET   1   9.886   2.215  -5.163
    2   2H    MET   1          3HN       MET   1   9.570   1.598  -6.666
    3   3H    MET   1           H        MET   1  10.856   2.618  -6.444
    4    HA   MET   1           HA       MET   1   9.620   4.275  -7.025
    5   1HB   MET   1          1HB       MET   1   7.584   2.069  -6.979
    6   2HB   MET   1          2HB       MET   1   7.011   3.751  -7.084
    7   1HG   MET   1          1HG       MET   1   7.296   2.989  -9.330
    8   2HG   MET   1          2HG       MET   1   8.640   4.089  -8.984
    9   1HE   MET   1          3HE       MET   1  11.001   3.577  -8.874
   10   2HE   MET   1          1HE       MET   1  11.669   2.266  -9.875
   11   3HE   MET   1          2HE       MET   1  10.553   3.453 -10.592
   12    H    LEU   2           H        LEU   2   8.042   2.391  -4.323
   13    HA   LEU   2           HA       LEU   2   7.481   4.966  -3.061
   14   1HB   LEU   2          1HB       LEU   2   5.932   2.727  -3.421
   15   2HB   LEU   2          2HB       LEU   2   6.504   2.517  -1.778
   16    HG   LEU   2           HG       LEU   2   5.698   5.194  -1.883
   17   1HD1  LEU   2          3HD1      LEU   2   4.583   4.307  -4.106
   18   2HD1  LEU   2          1HD1      LEU   2   3.369   3.669  -2.971
   19   3HD1  LEU   2          2HD1      LEU   2   3.720   5.413  -3.011
   20   1HD2  LEU   2          2HD2      LEU   2   5.458   3.316  -0.112
   21   2HD2  LEU   2          3HD2      LEU   2   4.227   4.600  -0.191
   22   3HD2  LEU   2          1HD2      LEU   2   3.893   3.000  -0.898
   23    H    VAL   3           H        VAL   3   7.363   3.694  -0.371
   24    HA   VAL   3           HA       VAL   3  10.216   3.860   0.154
   25    HB   VAL   3           HB       VAL   3   9.300   3.837   2.561
   26   1HG1  VAL   3          1HG1      VAL   3   8.832   6.074   0.575
   27   2HG1  VAL   3          2HG1      VAL   3   8.599   6.279   2.328
   28   3HG1  VAL   3          3HG1      VAL   3  10.202   5.848   1.689
   29   1HG2  VAL   3          1HG2      VAL   3   6.999   3.018   1.646
   30   2HG2  VAL   3          2HG2      VAL   3   7.039   4.219   2.959
   31   3HG2  VAL   3          3HG2      VAL   3   6.724   4.738   1.286
   32    H    ALA   4           H        ALA   4  10.647   1.743  -0.906
   33    HA   ALA   4           HA       ALA   4  10.738  -0.498  -0.966
   34   1HB   ALA   4          2HB       ALA   4  11.754   0.561   1.588
   35   2HB   ALA   4          3HB       ALA   4  11.369  -1.176   1.647
   36   3HB   ALA   4          1HB       ALA   4  12.515  -0.560   0.433
   37    H    LYS   5           H        LYS   5   8.037   0.344  -0.814
   38    HA   LYS   5           HA       LYS   5   6.937  -1.779   0.893
   39   1HB   LYS   5          1HB       LYS   5   5.918   1.020   0.392
   40   2HB   LYS   5          2HB       LYS   5   4.855  -0.264   0.929
   41   1HG   LYS   5          1HG       LYS   5   7.362  -0.160   2.488
   42   2HG   LYS   5          2HG       LYS   5   6.464   1.343   2.572
   43   1HD   LYS   5          1HD       LYS   5   5.274  -1.416   3.130
   44   2HD   LYS   5          2HD       LYS   5   5.818  -0.303   4.369
   45   1HE   LYS   5          1HE       LYS   5   3.849   0.727   2.327
   46   2HE   LYS   5          2HE       LYS   5   3.249  -0.374   3.551
   47   1HZ   LYS   5          1HZ       LYS   5   4.866   1.475   4.816
   48   2HZ   LYS   5          2HZ       LYS   5   3.878   2.317   3.827
   49   3HZ   LYS   5          3HZ       LYS   5   3.246   1.308   4.945
   50    H    SER   6           H        SER   6   4.609  -2.383   0.022
   51    HA   SER   6           HA       SER   6   4.387  -2.091  -2.807
   52   1HB   SER   6          1HB       SER   6   5.905  -3.940  -2.879
   53   2HB   SER   6          2HB       SER   6   5.126  -4.746  -1.533
   54    HG   SER   6           HG       SER   6   3.957  -4.317  -4.151
   55    H    SER   7           H        SER   7   2.340  -3.400  -3.583
   56    HA   SER   7           HA       SER   7   0.481  -3.587  -1.347
   57   1HB   SER   7          1HB       SER   7  -0.255  -1.583  -2.280
   58   2HB   SER   7          2HB       SER   7   0.264  -2.014  -3.898
   59    HG   SER   7           HG       SER   7  -1.928  -2.217  -4.027
   60    H    ILE   8           H        ILE   8  -1.100  -5.267  -1.519
   61    HA   ILE   8           HA       ILE   8  -0.863  -6.947  -3.909
   62    HB   ILE   8           HB       ILE   8  -0.795  -7.857  -1.032
   63   1HG1  ILE   8          1HG1      ILE   8   1.355  -8.991  -2.135
   64   2HG1  ILE   8          2HG1      ILE   8   1.247  -7.603  -3.199
   65   1HG2  ILE   8          3HG2      ILE   8  -2.110  -9.177  -3.002
   66   2HG2  ILE   8          1HG2      ILE   8  -0.469  -9.838  -3.198
   67   3HG2  ILE   8          2HG2      ILE   8  -1.298  -9.967  -1.629
   68   1HD1  ILE   8          1HD1      ILE   8   0.970  -7.116  -0.239
   69   2HD1  ILE   8          2HD1      ILE   8   2.588  -7.475  -0.888
   70   3HD1  ILE   8          3HD1      ILE   8   1.676  -6.073  -1.496
   71    H    LEU   9           H        LEU   9  -2.800  -7.169  -4.879
   72    HA   LEU   9           HA       LEU   9  -5.162  -6.621  -3.242
   73   1HB   LEU   9          1HB       LEU   9  -4.631  -5.266  -5.304
   74   2HB   LEU   9          2HB       LEU   9  -4.940  -6.708  -6.249
   75    HG   LEU   9           HG       LEU   9  -7.257  -6.743  -5.108
   76   1HD1  LEU   9          3HD1      LEU   9  -6.127  -4.249  -4.038
   77   2HD1  LEU   9          1HD1      LEU   9  -7.748  -4.074  -4.751
   78   3HD1  LEU   9          2HD1      LEU   9  -7.472  -5.255  -3.448
   79   1HD2  LEU   9          2HD2      LEU   9  -6.325  -4.839  -7.235
   80   2HD2  LEU   9          3HD2      LEU   9  -7.297  -6.323  -7.378
   81   3HD2  LEU   9          1HD2      LEU   9  -8.029  -4.840  -6.720
   82    H    LEU  10           H        LEU  10  -5.694  -8.532  -2.234
   83    HA   LEU  10           HA       LEU  10  -5.704 -10.941  -3.876
   84   1HB   LEU  10          1HB       LEU  10  -6.277 -10.744  -0.928
   85   2HB   LEU  10          2HB       LEU  10  -5.812 -12.156  -1.856
   86    HG   LEU  10           HG       LEU  10  -3.648 -10.573  -2.294
   87   1HD1  LEU  10          1HD1      LEU  10  -5.012  -9.490   0.072
   88   2HD1  LEU  10          2HD1      LEU  10  -3.304  -9.912   0.341
   89   3HD1  LEU  10          3HD1      LEU  10  -3.746  -8.779  -0.958
   90   1HD2  LEU  10          3HD2      LEU  10  -3.861 -12.972  -1.444
   91   2HD2  LEU  10          1HD2      LEU  10  -2.461 -12.027  -0.883
   92   3HD2  LEU  10          2HD2      LEU  10  -3.858 -12.272   0.192
   93    H    ASP  11           H        ASP  11  -7.569 -12.044  -4.445
   94    HA   ASP  11           HA       ASP  11 -10.025 -10.672  -3.678
   95   1HB   ASP  11          1HB       ASP  11  -9.312 -10.576  -6.142
   96   2HB   ASP  11          2HB       ASP  11  -9.535 -12.313  -6.205
   97    H    VAL  12           H        VAL  12 -10.652 -12.048  -1.935
   98    HA   VAL  12           HA       VAL  12 -10.432 -14.909  -2.264
   99    HB   VAL  12           HB       VAL  12 -11.642 -13.299  -0.011
  100   1HG1  VAL  12          3HG1      VAL  12 -11.039 -16.172  -0.461
  101   2HG1  VAL  12          1HG1      VAL  12 -10.591 -15.518   1.133
  102   3HG1  VAL  12          2HG1      VAL  12 -12.273 -15.401   0.564
  103   1HG2  VAL  12          3HG2      VAL  12  -8.828 -13.698  -0.809
  104   2HG2  VAL  12          1HG2      VAL  12  -9.562 -12.471   0.252
  105   3HG2  VAL  12          2HG2      VAL  12  -9.179 -14.087   0.892
  106    H    LYS  13           H        LYS  13 -12.209 -16.374  -2.332
  107    HA   LYS  13           HA       LYS  13 -14.684 -15.079  -3.231
  108   1HB   LYS  13          1HB       LYS  13 -13.086 -16.891  -4.566
  109   2HB   LYS  13          2HB       LYS  13 -14.314 -17.927  -3.868
  110   1HG   LYS  13          1HG       LYS  13 -15.729 -17.284  -5.516
  111   2HG   LYS  13          2HG       LYS  13 -15.741 -15.673  -4.827
  112   1HD   LYS  13          1HD       LYS  13 -13.856 -14.979  -6.218
  113   2HD   LYS  13          2HD       LYS  13 -13.587 -16.621  -6.769
  114   1HE   LYS  13          1HE       LYS  13 -14.792 -15.713  -8.570
  115   2HE   LYS  13          2HE       LYS  13 -16.068 -16.488  -7.652
  116   1HZ   LYS  13          1HZ       LYS  13 -15.971 -14.088  -6.520
  117   2HZ   LYS  13          2HZ       LYS  13 -15.570 -13.702  -8.056
  118   3HZ   LYS  13          3HZ       LYS  13 -16.975 -14.477  -7.747
  119    HA   PRO  14           HA       PRO  14 -16.430 -16.718   0.389
  120   1HB   PRO  14          1HB       PRO  14 -19.017 -15.946  -0.041
  121   2HB   PRO  14          2HB       PRO  14 -17.800 -14.885   0.640
  122   1HG   PRO  14          1HG       PRO  14 -18.939 -14.888  -2.087
  123   2HG   PRO  14          2HG       PRO  14 -18.065 -13.613  -1.265
  124   1HD   PRO  14          1HD       PRO  14 -17.043 -15.359  -3.298
  125   2HD   PRO  14          2HD       PRO  14 -16.138 -14.161  -2.394
  126    H    TRP  15           H        TRP  15 -17.492 -18.524   1.201
  127    HA   TRP  15           HA       TRP  15 -17.618 -20.654  -0.554
  128   1HB   TRP  15          1HB       TRP  15 -18.291 -20.110   2.235
  129   2HB   TRP  15          2HB       TRP  15 -19.341 -21.311   1.511
  130    HD1  TRP  15           HD       TRP  15 -16.583 -21.552   3.610
  131    HE1  TRP  15          1HE       TRP  15 -14.915 -23.553   3.189
  132    HE3  TRP  15          3HE       TRP  15 -18.097 -22.503  -1.150
  133    HZ2  TRP  15          2HZ       TRP  15 -14.426 -25.270   0.963
  134    HZ3  TRP  15          3HZ       TRP  15 -16.973 -24.358  -2.377
  135    HH2  TRP  15           HH       TRP  15 -15.197 -25.720  -1.396
  136    H    ASP  16           H        ASP  16 -20.084 -18.265   0.520
  137    HA   ASP  16           HA       ASP  16 -21.554 -18.626  -1.813
  138   1HB   ASP  16          1HB       ASP  16 -22.413 -20.150   0.629
  139   2HB   ASP  16          2HB       ASP  16 -23.681 -19.324  -0.256
  140    H    ASP  17           H        ASP  17 -23.891 -17.438  -1.394
  141    HA   ASP  17           HA       ASP  17 -23.401 -14.902  -0.689
  142   1HB   ASP  17          1HB       ASP  17 -26.050 -15.086  -0.004
  143   2HB   ASP  17          2HB       ASP  17 -25.473 -14.986  -1.656
  144    H    GLU  18           H        GLU  18 -24.136 -17.705   1.373
  145    HA   GLU  18           HA       GLU  18 -25.035 -16.419   3.625
  146   1HB   GLU  18          1HB       GLU  18 -24.413 -18.459   4.823
  147   2HB   GLU  18          2HB       GLU  18 -25.075 -18.885   3.257
  148   1HG   GLU  18          1HG       GLU  18 -22.643 -18.944   2.388
  149   2HG   GLU  18          2HG       GLU  18 -22.134 -18.826   4.061
  150    H    THR  19           H        THR  19 -21.654 -17.274   2.629
  151    HA   THR  19           HA       THR  19 -20.216 -16.571   4.779
  152    HB   THR  19           HB       THR  19 -19.774 -15.986   1.811
  153    HG1  THR  19          1HG       THR  19 -19.021 -17.960   3.844
  154   1HG2  THR  19          1HG2      THR  19 -17.773 -15.964   4.133
  155   2HG2  THR  19          2HG2      THR  19 -17.337 -15.942   2.407
  156   3HG2  THR  19          3HG2      THR  19 -18.203 -14.562   3.125
  157    H    ASP  20           H        ASP  20 -20.328 -14.960   6.201
  158    HA   ASP  20           HA       ASP  20 -21.703 -12.639   5.731
  159   1HB   ASP  20          1HB       ASP  20 -19.997 -13.774   7.812
  160   2HB   ASP  20          2HB       ASP  20 -19.683 -12.058   7.660
  161    H    MET  21           H        MET  21 -21.080 -11.331   3.960
  162    HA   MET  21           HA       MET  21 -18.395 -11.019   3.226
  163   1HB   MET  21          1HB       MET  21 -20.827  -9.265   2.567
  164   2HB   MET  21          2HB       MET  21 -19.337  -9.323   1.645
  165   1HG   MET  21          1HG       MET  21 -21.275 -11.656   2.041
  166   2HG   MET  21          2HG       MET  21 -21.101 -10.712   0.575
  167   1HE   MET  21          1HE       MET  21 -18.979 -10.329  -0.596
  168   2HE   MET  21          2HE       MET  21 -17.808 -11.630  -0.923
  169   3HE   MET  21          3HE       MET  21 -19.507 -11.814  -1.422
  170    H    ALA  22           H        ALA  22 -20.340  -9.574   5.701
  171    HA   ALA  22           HA       ALA  22 -18.893  -7.080   5.734
  172   1HB   ALA  22          2HB       ALA  22 -21.359  -7.457   6.353
  173   2HB   ALA  22          3HB       ALA  22 -20.755  -8.192   7.857
  174   3HB   ALA  22          1HB       ALA  22 -20.388  -6.490   7.489
  175    H    LYS  23           H        LYS  23 -18.926 -10.246   7.418
  176    HA   LYS  23           HA       LYS  23 -17.021  -9.377   9.373
  177   1HB   LYS  23          1HB       LYS  23 -18.881 -11.208   9.536
  178   2HB   LYS  23          2HB       LYS  23 -17.695 -12.249   8.775
  179   1HG   LYS  23          1HG       LYS  23 -16.613 -12.509  10.748
  180   2HG   LYS  23          2HG       LYS  23 -16.345 -10.781  10.856
  181   1HD   LYS  23          1HD       LYS  23 -18.779 -10.603  11.730
  182   2HD   LYS  23          2HD       LYS  23 -18.745 -12.348  11.888
  183   1HE   LYS  23          1HE       LYS  23 -16.564 -10.628  13.130
  184   2HE   LYS  23          2HE       LYS  23 -18.078 -10.903  13.967
  185   1HZ   LYS  23          2HZ       LYS  23 -17.080 -13.325  12.975
  186   2HZ   LYS  23          3HZ       LYS  23 -15.924 -12.586  13.861
  187   3HZ   LYS  23          1HZ       LYS  23 -17.383 -12.901  14.523
  188    H    LEU  24           H        LEU  24 -17.003 -11.375   6.361
  189    HA   LEU  24           HA       LEU  24 -14.364 -12.161   6.464
  190   1HB   LEU  24          1HB       LEU  24 -16.488 -12.471   4.765
  191   2HB   LEU  24          2HB       LEU  24 -15.401 -11.495   3.797
  192    HG   LEU  24           HG       LEU  24 -14.553 -14.070   5.143
  193   1HD1  LEU  24          3HD1      LEU  24 -16.327 -13.759   2.935
  194   2HD1  LEU  24          1HD1      LEU  24 -14.779 -14.390   2.321
  195   3HD1  LEU  24          2HD1      LEU  24 -15.640 -15.253   3.618
  196   1HD2  LEU  24          2HD2      LEU  24 -13.013 -12.060   4.081
  197   2HD2  LEU  24          3HD2      LEU  24 -12.521 -13.761   4.263
  198   3HD2  LEU  24          1HD2      LEU  24 -13.173 -13.183   2.710
  199    H    GLU  25           H        GLU  25 -15.843  -9.070   5.397
  200    HA   GLU  25           HA       GLU  25 -13.381  -8.090   4.403
  201   1HB   GLU  25          1HB       GLU  25 -15.608  -7.334   3.562
  202   2HB   GLU  25          2HB       GLU  25 -15.952  -6.611   5.120
  203   1HG   GLU  25          1HG       GLU  25 -14.611  -4.795   4.721
  204   2HG   GLU  25          2HG       GLU  25 -13.342  -5.765   3.998
  205    H    GLU  26           H        GLU  26 -15.468  -7.114   7.227
  206    HA   GLU  26           HA       GLU  26 -13.704  -5.394   8.356
  207   1HB   GLU  26          1HB       GLU  26 -15.138  -5.391  10.175
  208   2HB   GLU  26          2HB       GLU  26 -16.176  -6.160   8.990
  209   1HG   GLU  26          1HG       GLU  26 -15.346  -8.419   9.830
  210   2HG   GLU  26          2HG       GLU  26 -14.484  -7.575  11.100
  211    H    CYS  27           H        CYS  27 -13.895  -8.978   8.691
  212    HA   CYS  27           HA       CYS  27 -12.052  -9.254  10.728
  213   1HB   CYS  27          1HB       CYS  27 -13.506 -11.076   9.969
  214   2HB   CYS  27          2HB       CYS  27 -12.664 -11.147   8.434
  215    HG   CYS  27           HG       CYS  27 -12.052 -12.458  11.226
  216    H    VAL  28           H        VAL  28 -11.631  -9.371   7.114
  217    HA   VAL  28           HA       VAL  28  -8.964  -9.806   6.962
  218    HB   VAL  28           HB       VAL  28 -10.808  -8.072   5.327
  219   1HG1  VAL  28          3HG1      VAL  28  -7.947  -8.051   5.261
  220   2HG1  VAL  28          1HG1      VAL  28  -8.538  -8.853   3.786
  221   3HG1  VAL  28          2HG1      VAL  28  -9.095  -7.211   4.190
  222   1HG2  VAL  28          1HG2      VAL  28 -10.768 -10.763   5.584
  223   2HG2  VAL  28          2HG2      VAL  28 -11.243  -9.924   4.087
  224   3HG2  VAL  28          3HG2      VAL  28  -9.590 -10.565   4.262
  225    H    ARG  29           H        ARG  29 -10.512  -6.515   7.092
  226    HA   ARG  29           HA       ARG  29  -8.230  -5.090   7.239
  227   1HB   ARG  29          1HB       ARG  29 -10.996  -4.605   7.576
  228   2HB   ARG  29          2HB       ARG  29 -10.282  -4.015   9.063
  229   1HG   ARG  29          1HG       ARG  29  -9.130  -2.309   8.005
  230   2HG   ARG  29          2HG       ARG  29  -8.826  -3.258   6.563
  231   1HD   ARG  29          1HD       ARG  29 -11.152  -2.937   5.801
  232   2HD   ARG  29          2HD       ARG  29 -11.567  -2.120   7.295
  233    HE   ARG  29           HE       ARG  29 -10.216  -0.946   5.017
  234   1HH1  ARG  29          2HH2      ARG  29 -10.399  -0.805   8.529
  235   2HH1  ARG  29          1HH2      ARG  29  -9.871   0.842   8.618
  236   1HH2  ARG  29          2HH1      ARG  29  -9.520   1.227   5.135
  237   2HH2  ARG  29          1HH1      ARG  29  -9.367   2.006   6.674
  238    H    SER  30           H        SER  30 -10.076  -6.678   9.911
  239    HA   SER  30           HA       SER  30  -8.833  -5.649  12.058
  240   1HB   SER  30          1HB       SER  30  -9.952  -7.286  13.173
  241   2HB   SER  30          2HB       SER  30 -10.594  -7.714  11.599
  242    HG   SER  30           HG       SER  30  -9.457  -9.535  11.606
  243    H    ILE  31           H        ILE  31  -7.732  -8.442  10.019
  244    HA   ILE  31           HA       ILE  31  -5.557  -9.251  11.403
  245    HB   ILE  31           HB       ILE  31  -5.935  -8.959   8.425
  246   1HG1  ILE  31          1HG1      ILE  31  -6.273 -11.371  10.229
  247   2HG1  ILE  31          2HG1      ILE  31  -7.589 -10.353   9.681
  248   1HG2  ILE  31          2HG2      ILE  31  -3.561  -9.655   9.883
  249   2HG2  ILE  31          3HG2      ILE  31  -4.160 -11.080   9.000
  250   3HG2  ILE  31          1HG2      ILE  31  -3.824  -9.566   8.125
  251   1HD1  ILE  31          1HD1      ILE  31  -5.660 -11.835   7.835
  252   2HD1  ILE  31          2HD1      ILE  31  -7.307 -12.374   8.243
  253   3HD1  ILE  31          3HD1      ILE  31  -7.065 -10.870   7.324
  254    H    GLN  32           H        GLN  32  -3.522  -8.516  11.893
  255    HA   GLN  32           HA       GLN  32  -2.740  -6.026  10.605
  256   1HB   GLN  32          1HB       GLN  32  -3.715  -5.972  13.119
  257   2HB   GLN  32          2HB       GLN  32  -2.062  -6.409  13.509
  258   1HG   GLN  32          1HG       GLN  32  -1.814  -4.352  11.577
  259   2HG   GLN  32          2HG       GLN  32  -3.134  -3.831  12.605
  260   1HE2  GLN  32          2HE2      GLN  32  -1.177  -2.901  15.298
  261   2HE2  GLN  32          1HE2      GLN  32  -2.710  -2.940  14.493
  262    H    ALA  33           H        ALA  33  -0.305  -5.573  10.963
  263    HA   ALA  33           HA       ALA  33   1.365  -7.697  11.772
  264   1HB   ALA  33          2HB       ALA  33   0.288  -7.884   9.114
  265   2HB   ALA  33          3HB       ALA  33   2.025  -7.518   8.997
  266   3HB   ALA  33          1HB       ALA  33   1.476  -8.943   9.910
  267    H    ASP  34           H        ASP  34   1.581  -5.359  12.812
  268    HA   ASP  34           HA       ASP  34   2.625  -3.441  12.972
  269   1HB   ASP  34          1HB       ASP  34   4.546  -4.704  13.489
  270   2HB   ASP  34          2HB       ASP  34   4.671  -5.370  11.873
  271    H    GLY  35           H        GLY  35   4.615  -4.337  10.116
  272   1HA   GLY  35          1HA       GLY  35   4.007  -1.864   8.797
  273   2HA   GLY  35          2HA       GLY  35   5.053  -3.153   8.234
  274    H    LEU  36           H        LEU  36   1.600  -3.468   9.235
  275    HA   LEU  36           HA       LEU  36   1.017  -4.237   6.460
  276   1HB   LEU  36          1HB       LEU  36   0.940  -6.105   8.019
  277   2HB   LEU  36          2HB       LEU  36  -0.189  -5.239   9.043
  278    HG   LEU  36           HG       LEU  36  -1.367  -5.283   6.475
  279   1HD1  LEU  36          2HD1      LEU  36   0.153  -7.780   7.084
  280   2HD1  LEU  36          3HD1      LEU  36  -1.475  -7.929   6.381
  281   3HD1  LEU  36          1HD1      LEU  36  -0.216  -7.008   5.524
  282   1HD2  LEU  36          1HD2      LEU  36  -2.498  -5.320   8.675
  283   2HD2  LEU  36          2HD2      LEU  36  -3.098  -6.573   7.561
  284   3HD2  LEU  36          3HD2      LEU  36  -1.991  -7.013   8.884
  285    H    VAL  37           H        VAL  37   0.014  -2.587   5.438
  286    HA   VAL  37           HA       VAL  37  -1.799  -0.935   7.041
  287    HB   VAL  37           HB       VAL  37  -0.255  -0.496   4.492
  288   1HG1  VAL  37          3HG1      VAL  37  -2.851   0.582   5.146
  289   2HG1  VAL  37          1HG1      VAL  37  -1.637   1.883   5.143
  290   3HG1  VAL  37          2HG1      VAL  37  -1.844   0.855   3.704
  291   1HG2  VAL  37          2HG2      VAL  37  -0.293   0.779   7.234
  292   2HG2  VAL  37          3HG2      VAL  37   1.065   0.004   6.384
  293   3HG2  VAL  37          1HG2      VAL  37   0.447   1.577   5.826
  294    H    TRP  38           H        TRP  38  -3.980  -0.809   6.566
  295    HA   TRP  38           HA       TRP  38  -4.883  -2.664   4.479
  296   1HB   TRP  38          1HB       TRP  38  -5.946  -1.873   7.148
  297   2HB   TRP  38          2HB       TRP  38  -7.099  -2.258   5.886
  298    HD1  TRP  38           HD       TRP  38  -5.727  -4.004   8.638
  299    HE1  TRP  38          1HE       TRP  38  -5.434  -6.610   8.336
  300    HE3  TRP  38          3HE       TRP  38  -6.060  -3.984   3.563
  301    HZ2  TRP  38          2HZ       TRP  38  -5.377  -8.332   6.060
  302    HZ3  TRP  38          3HZ       TRP  38  -5.875  -6.170   2.379
  303    HH2  TRP  38           HH       TRP  38  -5.545  -8.293   3.544
  304    H    GLY  39           H        GLY  39  -4.426  -0.992   2.824
  305   1HA   GLY  39          1HA       GLY  39  -5.135   1.575   2.673
  306   2HA   GLY  39          2HA       GLY  39  -5.349   0.459   1.339
  307    H    SER  40           H        SER  40  -7.450  -1.086   1.754
  308    HA   SER  40           HA       SER  40  -9.564  -0.397   3.180
  309   1HB   SER  40          1HB       SER  40  -9.071   1.701   1.187
  310   2HB   SER  40          2HB       SER  40 -10.663   0.996   0.988
  311    HG   SER  40           HG       SER  40 -10.635   2.804   2.498
  312    H    SER  41           H        SER  41 -11.069  -2.006   2.774
  313    HA   SER  41           HA       SER  41 -10.618  -3.569   0.417
  314   1HB   SER  41          1HB       SER  41 -12.306  -5.113   1.482
  315   2HB   SER  41          2HB       SER  41 -10.910  -4.780   2.488
  316    HG   SER  41           HG       SER  41 -13.212  -3.102   2.755
  317    H    LYS  42           H        LYS  42 -12.445  -4.246  -1.024
  318    HA   LYS  42           HA       LYS  42 -14.715  -2.414  -0.975
  319   1HB   LYS  42          1HB       LYS  42 -14.329  -2.314  -3.579
  320   2HB   LYS  42          2HB       LYS  42 -13.542  -1.180  -2.500
  321   1HG   LYS  42          1HG       LYS  42 -11.460  -2.009  -2.952
  322   2HG   LYS  42          2HG       LYS  42 -11.994  -3.673  -2.816
  323   1HD   LYS  42          1HD       LYS  42 -11.317  -3.374  -5.107
  324   2HD   LYS  42          2HD       LYS  42 -13.069  -3.435  -5.121
  325   1HE   LYS  42          1HE       LYS  42 -11.633  -0.766  -4.907
  326   2HE   LYS  42          2HE       LYS  42 -11.847  -1.531  -6.469
  327   1HZ   LYS  42          2HZ       LYS  42 -14.285  -1.728  -5.447
  328   2HZ   LYS  42          3HZ       LYS  42 -13.804  -0.326  -4.762
  329   3HZ   LYS  42          1HZ       LYS  42 -13.795  -0.486  -6.387
  330    H    LEU  43           H        LEU  43 -16.437  -3.190  -2.603
  331    HA   LEU  43           HA       LEU  43 -16.348  -6.127  -2.671
  332   1HB   LEU  43          1HB       LEU  43 -18.384  -4.227  -1.685
  333   2HB   LEU  43          2HB       LEU  43 -18.996  -5.548  -2.661
  334    HG   LEU  43           HG       LEU  43 -19.159  -6.316  -0.461
  335   1HD1  LEU  43          3HD1      LEU  43 -17.797  -7.760  -2.204
  336   2HD1  LEU  43          1HD1      LEU  43 -16.484  -7.527  -1.024
  337   3HD1  LEU  43          2HD1      LEU  43 -18.009  -8.292  -0.518
  338   1HD2  LEU  43          1HD2      LEU  43 -16.410  -5.143  -0.007
  339   2HD2  LEU  43          2HD2      LEU  43 -17.951  -4.677   0.751
  340   3HD2  LEU  43          3HD2      LEU  43 -17.205  -6.245   1.142
  341    H    VAL  44           H        VAL  44 -17.386  -7.155  -4.505
  342    HA   VAL  44           HA       VAL  44 -18.036  -5.365  -6.709
  343    HB   VAL  44           HB       VAL  44 -15.836  -7.425  -6.682
  344   1HG1  VAL  44          2HG1      VAL  44 -17.362  -6.310  -9.046
  345   2HG1  VAL  44          3HG1      VAL  44 -15.710  -6.959  -9.190
  346   3HG1  VAL  44          1HG1      VAL  44 -17.035  -8.011  -8.637
  347   1HG2  VAL  44          1HG2      VAL  44 -16.022  -4.466  -7.216
  348   2HG2  VAL  44          2HG2      VAL  44 -14.909  -5.356  -6.150
  349   3HG2  VAL  44          3HG2      VAL  44 -14.699  -5.429  -7.916
  350    HA   PRO  45           HA       PRO  45 -21.036  -8.615  -6.524
  351   1HB   PRO  45          1HB       PRO  45 -23.116  -7.167  -7.545
  352   2HB   PRO  45          2HB       PRO  45 -22.752  -7.243  -5.832
  353   1HG   PRO  45          1HG       PRO  45 -22.258  -5.036  -7.735
  354   2HG   PRO  45          2HG       PRO  45 -22.300  -4.987  -5.984
  355   1HD   PRO  45          1HD       PRO  45 -19.963  -4.955  -7.646
  356   2HD   PRO  45          2HD       PRO  45 -20.003  -5.023  -5.895
  357    H    VAL  46           H        VAL  46 -21.484 -10.236  -7.916
  358    HA   VAL  46           HA       VAL  46 -20.851  -9.542 -10.694
  359    HB   VAL  46           HB       VAL  46 -19.401 -11.196  -9.672
  360   1HG1  VAL  46          3HG1      VAL  46 -21.968 -12.712  -9.114
  361   2HG1  VAL  46          1HG1      VAL  46 -20.345 -13.436  -9.025
  362   3HG1  VAL  46          2HG1      VAL  46 -20.785 -12.101  -7.933
  363   1HG2  VAL  46          2HG2      VAL  46 -21.304 -12.145 -11.815
  364   2HG2  VAL  46          3HG2      VAL  46 -19.632 -11.553 -11.977
  365   3HG2  VAL  46          1HG2      VAL  46 -19.944 -13.155 -11.267
  366    H    GLY  47           H        GLY  47 -23.261 -10.977  -8.476
  367   1HA   GLY  47          1HA       GLY  47 -25.215 -10.852 -10.682
  368   2HA   GLY  47          2HA       GLY  47 -25.082 -12.287  -9.687
  369    H    TYR  48           H        TYR  48 -26.618 -12.398  -8.117
  370    HA   TYR  48           HA       TYR  48 -27.193  -9.948  -6.624
  371   1HB   TYR  48          1HB       TYR  48 -29.632 -10.542  -6.858
  372   2HB   TYR  48          2HB       TYR  48 -28.917 -10.290  -8.439
  373    HD1  TYR  48          2HD       TYR  48 -28.145 -12.373  -9.755
  374    HD2  TYR  48          1HD       TYR  48 -30.721 -12.567  -6.344
  375    HE1  TYR  48          2HE       TYR  48 -28.935 -14.681 -10.473
  376    HE2  TYR  48          1HE       TYR  48 -31.503 -14.874  -7.074
  377    HH   TYR  48           HH       TYR  48 -30.199 -16.799  -8.654
  378    H    GLY  49           H        GLY  49 -26.187 -10.656  -4.736
  379   1HA   GLY  49          1HA       GLY  49 -27.190 -11.799  -2.711
  380   2HA   GLY  49          2HA       GLY  49 -27.092 -13.260  -3.674
  381    H    ILE  50           H        ILE  50 -24.660 -13.072  -4.996
  382    HA   ILE  50           HA       ILE  50 -22.825 -13.226  -2.735
  383    HB   ILE  50           HB       ILE  50 -22.886 -14.406  -5.494
  384   1HG1  ILE  50          1HG1      ILE  50 -22.146 -16.218  -3.414
  385   2HG1  ILE  50          2HG1      ILE  50 -23.530 -15.302  -2.853
  386   1HG2  ILE  50          1HG2      ILE  50 -20.630 -13.531  -5.224
  387   2HG2  ILE  50          2HG2      ILE  50 -20.490 -14.329  -3.639
  388   3HG2  ILE  50          3HG2      ILE  50 -20.634 -15.308  -5.119
  389   1HD1  ILE  50          1HD1      ILE  50 -23.547 -16.393  -5.674
  390   2HD1  ILE  50          2HD1      ILE  50 -23.893 -17.482  -4.309
  391   3HD1  ILE  50          3HD1      ILE  50 -24.918 -16.055  -4.591
  392    H    LYS  51           H        LYS  51 -20.528 -12.445  -3.144
  393    HA   LYS  51           HA       LYS  51 -20.300 -10.335  -5.091
  394   1HB   LYS  51          1HB       LYS  51 -20.698  -9.787  -2.176
  395   2HB   LYS  51          2HB       LYS  51 -19.531  -8.811  -3.045
  396   1HG   LYS  51          1HG       LYS  51 -21.216  -7.581  -3.925
  397   2HG   LYS  51          2HG       LYS  51 -21.831  -9.006  -4.739
  398   1HD   LYS  51          1HD       LYS  51 -22.594  -9.268  -1.995
  399   2HD   LYS  51          2HD       LYS  51 -22.929  -7.606  -2.436
  400   1HE   LYS  51          1HE       LYS  51 -23.893  -8.905  -4.663
  401   2HE   LYS  51          2HE       LYS  51 -24.186 -10.125  -3.439
  402   1HZ   LYS  51          2HZ       LYS  51 -24.998  -7.850  -2.259
  403   2HZ   LYS  51          3HZ       LYS  51 -25.462  -7.616  -3.807
  404   3HZ   LYS  51          1HZ       LYS  51 -25.978  -8.934  -2.990
  405    H    LYS  52           H        LYS  52 -18.016  -9.399  -5.029
  406    HA   LYS  52           HA       LYS  52 -16.219 -11.620  -4.591
  407   1HB   LYS  52          1HB       LYS  52 -16.414  -9.439  -6.426
  408   2HB   LYS  52          2HB       LYS  52 -14.893  -9.280  -5.572
  409   1HG   LYS  52          1HG       LYS  52 -14.322 -11.644  -6.110
  410   2HG   LYS  52          2HG       LYS  52 -15.863 -11.845  -6.920
  411   1HD   LYS  52          1HD       LYS  52 -14.761  -9.532  -8.108
  412   2HD   LYS  52          2HD       LYS  52 -13.388 -10.603  -7.910
  413   1HE   LYS  52          1HE       LYS  52 -14.353 -12.308  -9.259
  414   2HE   LYS  52          2HE       LYS  52 -15.979 -11.688  -9.056
  415   1HZ   LYS  52          3HZ       LYS  52 -15.295  -9.743 -10.341
  416   2HZ   LYS  52          1HZ       LYS  52 -13.824 -10.408 -10.589
  417   3HZ   LYS  52          2HZ       LYS  52 -15.158 -11.126 -11.201
  418    H    LEU  53           H        LEU  53 -14.545 -11.698  -3.098
  419    HA   LEU  53           HA       LEU  53 -14.710  -9.633  -1.032
  420   1HB   LEU  53          1HB       LEU  53 -14.768 -12.397  -0.907
  421   2HB   LEU  53          2HB       LEU  53 -13.119 -12.011  -0.454
  422    HG   LEU  53           HG       LEU  53 -14.799 -12.231   1.429
  423   1HD1  LEU  53          1HD1      LEU  53 -13.025  -9.824   1.073
  424   2HD1  LEU  53          2HD1      LEU  53 -13.933 -10.093   2.580
  425   3HD1  LEU  53          3HD1      LEU  53 -12.749 -11.301   2.027
  426   1HD2  LEU  53          2HD2      LEU  53 -16.339 -10.531  -0.096
  427   2HD2  LEU  53          3HD2      LEU  53 -16.599 -10.923   1.620
  428   3HD2  LEU  53          1HD2      LEU  53 -15.697  -9.456   1.169
  429    H    GLN  54           H        GLN  54 -13.529  -8.164  -2.577
  430    HA   GLN  54           HA       GLN  54 -10.726  -8.887  -2.782
  431   1HB   GLN  54          1HB       GLN  54 -11.476  -8.188  -4.898
  432   2HB   GLN  54          2HB       GLN  54 -12.524  -6.949  -4.239
  433   1HG   GLN  54          1HG       GLN  54 -10.771  -5.423  -3.927
  434   2HG   GLN  54          2HG       GLN  54  -9.562  -6.677  -3.746
  435   1HE2  GLN  54          2HE2      GLN  54  -9.220  -7.331  -7.275
  436   2HE2  GLN  54          1HE2      GLN  54  -9.341  -8.132  -5.744
  437    H    ILE  55           H        ILE  55  -9.052  -7.513  -1.953
  438    HA   ILE  55           HA       ILE  55  -9.843  -5.158  -0.486
  439    HB   ILE  55           HB       ILE  55  -9.299  -5.833   1.637
  440   1HG1  ILE  55          1HG1      ILE  55  -7.116  -6.866   0.978
  441   2HG1  ILE  55          2HG1      ILE  55  -7.955  -7.687   2.278
  442   1HG2  ILE  55          1HG2      ILE  55 -10.572  -8.257   0.338
  443   2HG2  ILE  55          2HG2      ILE  55 -10.531  -7.931   2.088
  444   3HG2  ILE  55          3HG2      ILE  55 -11.405  -6.829   0.998
  445   1HD1  ILE  55          3HD1      ILE  55  -8.862  -9.350   0.649
  446   2HD1  ILE  55          1HD1      ILE  55  -7.979  -8.524  -0.658
  447   3HD1  ILE  55          2HD1      ILE  55  -7.082  -9.326   0.654
  448    H    GLN  56           H        GLN  56  -8.041  -3.765  -0.036
  449    HA   GLN  56           HA       GLN  56  -5.650  -4.620  -1.474
  450   1HB   GLN  56          1HB       GLN  56  -6.698  -2.827  -2.703
  451   2HB   GLN  56          2HB       GLN  56  -6.960  -1.884  -1.250
  452   1HG   GLN  56          1HG       GLN  56  -4.794  -1.100  -1.196
  453   2HG   GLN  56          2HG       GLN  56  -4.115  -2.624  -1.734
  454   1HE2  GLN  56          2HE2      GLN  56  -3.475  -0.237  -4.433
  455   2HE2  GLN  56          1HE2      GLN  56  -3.000  -0.531  -2.793
  456    H    CYS  57           H        CYS  57  -3.588  -4.135  -0.544
  457    HA   CYS  57           HA       CYS  57  -3.591  -2.798   2.018
  458   1HB   CYS  57          1HB       CYS  57  -2.070  -4.884   2.775
  459   2HB   CYS  57          2HB       CYS  57  -3.786  -4.774   3.112
  460    HG   CYS  57           HG       CYS  57  -2.155  -6.347   0.714
  461    H    VAL  58           H        VAL  58  -1.372  -2.131   2.611
  462    HA   VAL  58           HA       VAL  58   0.467  -2.318   0.324
  463    HB   VAL  58           HB       VAL  58   0.234  -0.037   2.290
  464   1HG1  VAL  58          2HG1      VAL  58   2.208  -0.736   0.394
  465   2HG1  VAL  58          3HG1      VAL  58   1.303   0.626  -0.311
  466   3HG1  VAL  58          1HG1      VAL  58   2.052   0.791   1.296
  467   1HG2  VAL  58          1HG2      VAL  58  -1.310  -0.625  -0.188
  468   2HG2  VAL  58          2HG2      VAL  58  -1.766   0.308   1.257
  469   3HG2  VAL  58          3HG2      VAL  58  -0.720   1.041   0.018
  470    H    VAL  59           H        VAL  59   1.443  -4.240   1.193
  471    HA   VAL  59           HA       VAL  59   2.551  -4.077   3.854
  472    HB   VAL  59           HB       VAL  59   3.016  -6.337   3.622
  473   1HG1  VAL  59          2HG1      VAL  59   0.587  -5.841   3.597
  474   2HG1  VAL  59          3HG1      VAL  59   0.610  -5.905   1.818
  475   3HG1  VAL  59          1HG1      VAL  59   0.983  -7.364   2.766
  476   1HG2  VAL  59          3HG2      VAL  59   3.383  -5.679   0.756
  477   2HG2  VAL  59          1HG2      VAL  59   4.265  -6.821   1.798
  478   3HG2  VAL  59          2HG2      VAL  59   2.697  -7.285   1.094
  479    H    GLU  60           H        GLU  60   4.984  -4.943   3.978
  480    HA   GLU  60           HA       GLU  60   6.458  -2.973   2.518
  481   1HB   GLU  60          1HB       GLU  60   6.737  -4.408   5.015
  482   2HB   GLU  60          2HB       GLU  60   8.195  -4.644   4.072
  483   1HG   GLU  60          1HG       GLU  60   7.058  -1.855   4.209
  484   2HG   GLU  60          2HG       GLU  60   7.849  -2.481   5.643
  485    H    ASP  61           H        ASP  61   8.887  -3.910   1.911
  486    HA   ASP  61           HA       ASP  61   8.275  -6.069   0.063
  487   1HB   ASP  61          1HB       ASP  61   9.311  -3.610  -0.481
  488   2HB   ASP  61          2HB       ASP  61  10.807  -4.464  -0.155
  489    H    ASP  62           H        ASP  62   9.507  -5.623   3.091
  490    HA   ASP  62           HA       ASP  62  11.179  -7.932   2.854
  491   1HB   ASP  62          1HB       ASP  62  12.504  -5.581   2.636
  492   2HB   ASP  62          2HB       ASP  62  12.387  -5.633   4.383
  493    H    LYS  63           H        LYS  63   8.571  -6.924   4.097
  494    HA   LYS  63           HA       LYS  63   9.251  -7.546   6.883
  495   1HB   LYS  63          1HB       LYS  63   8.407  -5.073   6.050
  496   2HB   LYS  63          2HB       LYS  63   6.884  -5.835   6.460
  497   1HG   LYS  63          1HG       LYS  63   7.321  -5.478   8.654
  498   2HG   LYS  63          2HG       LYS  63   8.689  -6.566   8.543
  499   1HD   LYS  63          1HD       LYS  63   9.730  -4.269   7.393
  500   2HD   LYS  63          2HD       LYS  63   8.637  -3.591   8.582
  501   1HE   LYS  63          1HE       LYS  63   9.830  -4.453  10.390
  502   2HE   LYS  63          2HE       LYS  63  10.378  -5.861   9.502
  503   1HZ   LYS  63          3HZ       LYS  63  11.595  -3.951   8.166
  504   2HZ   LYS  63          1HZ       LYS  63  11.534  -3.232   9.631
  505   3HZ   LYS  63          2HZ       LYS  63  12.262  -4.684   9.464
  506    H    VAL  64           H        VAL  64   6.148  -7.021   5.097
  507    HA   VAL  64           HA       VAL  64   5.436  -9.761   5.870
  508    HB   VAL  64           HB       VAL  64   3.658  -7.412   5.182
  509   1HG1  VAL  64          3HG1      VAL  64   3.096 -10.224   6.151
  510   2HG1  VAL  64          1HG1      VAL  64   1.926  -8.896   6.339
  511   3HG1  VAL  64          2HG1      VAL  64   2.455  -9.393   4.713
  512   1HG2  VAL  64          1HG2      VAL  64   5.173  -7.627   7.448
  513   2HG2  VAL  64          2HG2      VAL  64   3.614  -6.772   7.345
  514   3HG2  VAL  64          3HG2      VAL  64   3.674  -8.446   7.949
  515    H    GLY  65           H        GLY  65   3.881 -10.853   4.267
  516   1HA   GLY  65          1HA       GLY  65   4.591 -10.109   1.495
  517   2HA   GLY  65          2HA       GLY  65   4.736 -11.756   2.076
  518    H    THR  66           H        THR  66   2.896 -13.076   2.300
  519    HA   THR  66           HA       THR  66   0.269 -11.992   2.294
  520    HB   THR  66           HB       THR  66   1.602 -12.723  -0.290
  521    HG1  THR  66          1HG       THR  66   0.718 -10.594   0.360
  522   1HG2  THR  66          2HG2      THR  66  -1.159 -13.690   0.547
  523   2HG2  THR  66          3HG2      THR  66  -0.857 -13.184  -1.132
  524   3HG2  THR  66          1HG2      THR  66   0.062 -14.538  -0.430
  525    H    ASP  67           H        ASP  67   2.456 -14.780   1.702
  526    HA   ASP  67           HA       ASP  67   0.899 -16.864   1.881
  527   1HB   ASP  67          1HB       ASP  67   2.670 -17.966   3.331
  528   2HB   ASP  67          2HB       ASP  67   3.294 -17.143   1.916
  529    H    MET  68           H        MET  68   1.897 -14.785   4.684
  530    HA   MET  68           HA       MET  68   0.590 -16.278   6.626
  531   1HB   MET  68          1HB       MET  68   2.361 -14.291   6.736
  532   2HB   MET  68          2HB       MET  68   0.949 -13.253   6.758
  533   1HG   MET  68          1HG       MET  68   0.131 -14.879   8.703
  534   2HG   MET  68          2HG       MET  68   1.830 -15.291   8.821
  535   1HE   MET  68          1HE       MET  68  -0.610 -12.628   8.261
  536   2HE   MET  68          2HE       MET  68  -0.406 -11.522   9.641
  537   3HE   MET  68          3HE       MET  68   0.496 -11.239   8.133
  538    H    LEU  69           H        LEU  69  -0.394 -13.159   5.023
  539    HA   LEU  69           HA       LEU  69  -2.816 -12.826   6.194
  540   1HB   LEU  69          1HB       LEU  69  -2.331 -12.342   3.261
  541   2HB   LEU  69          2HB       LEU  69  -3.402 -11.473   4.341
  542    HG   LEU  69           HG       LEU  69  -0.396 -11.351   4.172
  543   1HD1  LEU  69          3HD1      LEU  69  -2.443  -9.798   3.098
  544   2HD1  LEU  69          1HD1      LEU  69  -1.853  -8.857   4.489
  545   3HD1  LEU  69          2HD1      LEU  69  -0.720  -9.370   3.216
  546   1HD2  LEU  69          2HD2      LEU  69  -1.201 -11.657   6.575
  547   2HD2  LEU  69          3HD2      LEU  69  -0.195 -10.230   6.226
  548   3HD2  LEU  69          1HD2      LEU  69  -1.958 -10.055   6.405
  549    H    GLU  70           H        GLU  70  -1.962 -15.017   3.464
  550    HA   GLU  70           HA       GLU  70  -4.531 -15.770   2.844
  551   1HB   GLU  70          1HB       GLU  70  -2.469 -16.272   1.505
  552   2HB   GLU  70          2HB       GLU  70  -2.000 -17.467   2.698
  553   1HG   GLU  70          1HG       GLU  70  -4.634 -18.197   2.126
  554   2HG   GLU  70          2HG       GLU  70  -4.054 -17.637   0.570
  555    H    GLU  71           H        GLU  71  -2.139 -17.370   5.067
  556    HA   GLU  71           HA       GLU  71  -3.964 -19.318   5.888
  557   1HB   GLU  71          1HB       GLU  71  -1.272 -18.342   6.805
  558   2HB   GLU  71          2HB       GLU  71  -2.191 -19.339   7.916
  559   1HG   GLU  71          1HG       GLU  71  -2.316 -20.491   5.242
  560   2HG   GLU  71          2HG       GLU  71  -0.643 -20.201   5.676
  561    H    GLN  72           H        GLN  72  -3.905 -15.980   6.447
  562    HA   GLN  72           HA       GLN  72  -4.995 -16.234   9.117
  563   1HB   GLN  72          1HB       GLN  72  -4.409 -13.708   7.514
  564   2HB   GLN  72          2HB       GLN  72  -4.794 -13.787   9.222
  565   1HG   GLN  72          1HG       GLN  72  -2.565 -15.578   8.611
  566   2HG   GLN  72          2HG       GLN  72  -2.217 -13.963   8.026
  567   1HE2  GLN  72          2HE2      GLN  72  -2.124 -12.374  11.182
  568   2HE2  GLN  72          1HE2      GLN  72  -2.411 -12.170   9.487
  569    H    ILE  73           H        ILE  73  -5.818 -14.753   5.899
  570    HA   ILE  73           HA       ILE  73  -8.506 -14.252   6.699
  571    HB   ILE  73           HB       ILE  73  -7.298 -14.259   3.932
  572   1HG1  ILE  73          1HG1      ILE  73  -7.575 -11.794   5.628
  573   2HG1  ILE  73          2HG1      ILE  73  -6.178 -12.831   5.834
  574   1HG2  ILE  73          2HG2      ILE  73  -9.794 -14.249   4.102
  575   2HG2  ILE  73          3HG2      ILE  73  -9.674 -12.716   5.000
  576   3HG2  ILE  73          1HG2      ILE  73  -9.099 -12.811   3.318
  577   1HD1  ILE  73          1HD1      ILE  73  -6.911 -12.156   3.007
  578   2HD1  ILE  73          2HD1      ILE  73  -6.258 -10.835   4.005
  579   3HD1  ILE  73          3HD1      ILE  73  -5.305 -12.318   3.757
  580    H    THR  74           H        THR  74  -7.007 -16.518   4.278
  581    HA   THR  74           HA       THR  74  -9.373 -17.948   3.831
  582    HB   THR  74           HB       THR  74  -6.895 -17.792   2.683
  583    HG1  THR  74          1HG       THR  74  -7.790 -19.612   1.458
  584   1HG2  THR  74          1HG2      THR  74  -6.200 -19.451   4.706
  585   2HG2  THR  74          2HG2      THR  74  -6.955 -20.655   3.634
  586   3HG2  THR  74          3HG2      THR  74  -5.576 -19.690   3.056
  587    H    ALA  75           H        ALA  75  -7.186 -17.921   6.542
  588    HA   ALA  75           HA       ALA  75  -7.200 -20.412   7.521
  589   1HB   ALA  75          1HB       ALA  75  -6.737 -17.845   8.488
  590   2HB   ALA  75          2HB       ALA  75  -8.024 -18.457   9.554
  591   3HB   ALA  75          3HB       ALA  75  -6.498 -19.359   9.393
  592    H    PHE  76           H        PHE  76 -10.001 -18.276   7.088
  593    HA   PHE  76           HA       PHE  76 -11.688 -20.041   8.642
  594   1HB   PHE  76          1HB       PHE  76 -11.684 -17.315   7.445
  595   2HB   PHE  76          2HB       PHE  76 -13.215 -18.130   7.193
  596    HD1  PHE  76          1HD       PHE  76 -13.619 -19.635   9.639
  597    HD2  PHE  76          2HD       PHE  76 -11.988 -15.753   9.117
  598    HE1  PHE  76          1HE       PHE  76 -14.330 -19.025  11.967
  599    HE2  PHE  76          2HE       PHE  76 -12.698 -15.142  11.446
  600    HZ   PHE  76           HZ       PHE  76 -13.861 -16.785  12.844
  601    H    GLU  77           H        GLU  77 -11.582 -22.010   7.403
  602    HA   GLU  77           HA       GLU  77 -12.181 -21.949   4.646
  603   1HB   GLU  77          1HB       GLU  77 -11.077 -23.793   6.433
  604   2HB   GLU  77          2HB       GLU  77 -12.616 -24.524   6.022
  605   1HG   GLU  77          1HG       GLU  77 -11.483 -23.484   3.586
  606   2HG   GLU  77          2HG       GLU  77 -10.217 -24.366   4.416
  607    H    ASP  78           H        ASP  78 -14.093 -21.360   7.329
  608    HA   ASP  78           HA       ASP  78 -16.392 -22.750   6.265
  609   1HB   ASP  78          1HB       ASP  78 -15.761 -22.629   8.777
  610   2HB   ASP  78          2HB       ASP  78 -16.260 -20.951   8.721
  611    H    TYR  79           H        TYR  79 -14.875 -20.214   5.174
  612    HA   TYR  79           HA       TYR  79 -17.274 -18.738   4.553
  613   1HB   TYR  79          1HB       TYR  79 -14.855 -17.721   6.150
  614   2HB   TYR  79          2HB       TYR  79 -15.865 -16.602   5.257
  615    HD1  TYR  79          2HD       TYR  79 -18.582 -17.516   5.743
  616    HD2  TYR  79          1HD       TYR  79 -15.247 -17.417   8.420
  617    HE1  TYR  79          2HE       TYR  79 -20.169 -17.375   7.725
  618    HE2  TYR  79          1HE       TYR  79 -16.844 -17.277  10.393
  619    HH   TYR  79           HH       TYR  79 -20.231 -17.795  10.010
  620    H    VAL  80           H        VAL  80 -13.676 -19.012   4.364
  621    HA   VAL  80           HA       VAL  80 -13.671 -17.645   1.823
  622    HB   VAL  80           HB       VAL  80 -11.517 -18.965   3.483
  623   1HG1  VAL  80          2HG1      VAL  80 -11.460 -17.734   0.761
  624   2HG1  VAL  80          3HG1      VAL  80 -10.104 -17.385   1.860
  625   3HG1  VAL  80          1HG1      VAL  80 -10.497 -19.069   1.438
  626   1HG2  VAL  80          1HG2      VAL  80 -12.336 -16.074   3.081
  627   2HG2  VAL  80          2HG2      VAL  80 -12.347 -17.014   4.593
  628   3HG2  VAL  80          3HG2      VAL  80 -10.800 -16.572   3.831
  629    H    GLN  81           H        GLN  81 -13.961 -18.617  -0.114
  630    HA   GLN  81           HA       GLN  81 -14.178 -21.471  -0.124
  631   1HB   GLN  81          1HB       GLN  81 -15.817 -19.992  -1.310
  632   2HB   GLN  81          2HB       GLN  81 -14.542 -19.458  -2.386
  633   1HG   GLN  81          1HG       GLN  81 -14.288 -22.200  -2.604
  634   2HG   GLN  81          2HG       GLN  81 -16.012 -22.051  -2.329
  635   1HE2  GLN  81          2HE2      GLN  81 -16.249 -21.743  -5.812
  636   2HE2  GLN  81          1HE2      GLN  81 -16.436 -22.758  -4.420
  637    H    SER  82           H        SER  82 -11.892 -18.950  -1.094
  638    HA   SER  82           HA       SER  82  -9.731 -20.479  -1.208
  639   1HB   SER  82          1HB       SER  82 -11.325 -20.808  -3.717
  640   2HB   SER  82          2HB       SER  82  -9.605 -20.551  -3.936
  641    HG   SER  82           HG       SER  82  -9.298 -22.341  -2.331
  642    H    MET  83           H        MET  83  -8.224 -18.869  -0.992
  643    HA   MET  83           HA       MET  83  -8.838 -16.282  -1.997
  644   1HB   MET  83          1HB       MET  83  -7.729 -16.354   0.135
  645   2HB   MET  83          2HB       MET  83  -6.578 -17.561  -0.402
  646   1HG   MET  83          1HG       MET  83  -5.556 -15.851  -1.957
  647   2HG   MET  83          2HG       MET  83  -6.667 -14.650  -1.331
  648   1HE   MET  83          1HE       MET  83  -3.657 -14.995  -1.636
  649   2HE   MET  83          2HE       MET  83  -2.882 -14.336  -0.175
  650   3HE   MET  83          3HE       MET  83  -2.924 -16.095  -0.444
  651    H    ASP  84           H        ASP  84  -7.280 -14.979  -3.334
  652    HA   ASP  84           HA       ASP  84  -5.506 -16.572  -4.944
  653   1HB   ASP  84          1HB       ASP  84  -8.037 -15.271  -5.914
  654   2HB   ASP  84          2HB       ASP  84  -6.632 -15.118  -6.949
  655    H    VAL  85           H        VAL  85  -4.765 -14.684  -6.852
  656    HA   VAL  85           HA       VAL  85  -4.249 -12.242  -5.304
  657    HB   VAL  85           HB       VAL  85  -2.325 -13.896  -6.944
  658   1HG1  VAL  85          3HG1      VAL  85  -2.050 -11.480  -7.426
  659   2HG1  VAL  85          1HG1      VAL  85  -1.844 -11.173  -5.686
  660   3HG1  VAL  85          2HG1      VAL  85  -0.654 -12.166  -6.560
  661   1HG2  VAL  85          3HG2      VAL  85  -2.980 -14.052  -4.256
  662   2HG2  VAL  85          1HG2      VAL  85  -1.481 -14.650  -5.008
  663   3HG2  VAL  85          2HG2      VAL  85  -1.518 -13.035  -4.263
  664    H    ALA  86           H        ALA  86  -4.887 -10.421  -6.342
  665    HA   ALA  86           HA       ALA  86  -5.830 -10.698  -9.058
  666   1HB   ALA  86          2HB       ALA  86  -7.084  -9.512  -7.210
  667   2HB   ALA  86          3HB       ALA  86  -5.818  -8.261  -7.237
  668   3HB   ALA  86          1HB       ALA  86  -6.829  -8.534  -8.676
  669    H    ALA  87           H        ALA  87  -2.980  -9.646  -7.326
  670    HA   ALA  87           HA       ALA  87  -1.424  -9.377  -9.560
  671   1HB   ALA  87          2HB       ALA  87  -3.208  -7.195  -9.393
  672   2HB   ALA  87          3HB       ALA  87  -1.640  -6.572  -8.825
  673   3HB   ALA  87          1HB       ALA  87  -1.767  -7.332 -10.430
  674    H    PHE  88           H        PHE  88   0.759  -8.988  -8.965
  675    HA   PHE  88           HA       PHE  88   1.152  -8.292  -6.148
  676   1HB   PHE  88          1HB       PHE  88   1.298 -10.862  -7.197
  677   2HB   PHE  88          2HB       PHE  88   2.940 -10.322  -7.484
  678    HD1  PHE  88          1HD       PHE  88   4.016  -9.088  -5.339
  679    HD2  PHE  88          2HD       PHE  88   0.901 -11.967  -5.220
  680    HE1  PHE  88          1HE       PHE  88   4.612  -9.634  -2.962
  681    HE2  PHE  88          2HE       PHE  88   1.496 -12.513  -2.843
  682    HZ   PHE  88           HZ       PHE  88   3.345 -11.340  -1.744
  683    H    ASN  89           H        ASN  89   1.843  -6.174  -6.791
  684    HA   ASN  89           HA       ASN  89   4.519  -6.235  -7.881
  685   1HB   ASN  89          1HB       ASN  89   3.950  -4.181  -9.290
  686   2HB   ASN  89          2HB       ASN  89   3.202  -5.664  -9.848
  687   1HD2  ASN  89          1HD2      ASN  89   2.735  -2.485  -8.843
  688   2HD2  ASN  89          2HD2      ASN  89   1.007  -2.454  -8.725
  689    H    LYS  90           H        LYS  90   5.113  -3.521  -7.861
  690    HA   LYS  90           HA       LYS  90   5.038  -2.926  -5.073
  691   1HB   LYS  90          1HB       LYS  90   7.008  -2.521  -6.524
  692   2HB   LYS  90          2HB       LYS  90   6.105  -1.304  -7.404
  693   1HG   LYS  90          1HG       LYS  90   5.960   0.139  -5.493
  694   2HG   LYS  90          2HG       LYS  90   6.395  -1.143  -4.381
  695   1HD   LYS  90          1HD       LYS  90   8.447  -0.669  -6.468
  696   2HD   LYS  90          2HD       LYS  90   8.155   0.735  -5.461
  697   1HE   LYS  90          1HE       LYS  90   8.234  -1.481  -3.669
  698   2HE   LYS  90          2HE       LYS  90   9.552  -1.742  -4.794
  699   1HZ   LYS  90          2HZ       LYS  90   9.101   0.821  -3.439
  700   2HZ   LYS  90          3HZ       LYS  90  10.089  -0.339  -2.853
  701   3HZ   LYS  90          1HZ       LYS  90  10.422   0.371  -4.286
  702    H    ILE  91           H        ILE  91   4.417  -0.729  -4.305
  703    HA   ILE  91           HA       ILE  91   1.774  -0.012  -5.468
  704    HB   ILE  91           HB       ILE  91   1.611  -0.804  -3.190
  705   1HG1  ILE  91          1HG1      ILE  91   1.330   1.791  -2.175
  706   2HG1  ILE  91          2HG1      ILE  91   1.114   1.989  -3.931
  707   1HG2  ILE  91          2HG2      ILE  91   4.160  -0.125  -2.843
  708   2HG2  ILE  91          3HG2      ILE  91   3.442   1.373  -2.202
  709   3HG2  ILE  91          1HG2      ILE  91   3.041  -0.194  -1.459
  710   1HD1  ILE  91          1HD1      ILE  91  -0.414  -0.151  -3.692
  711   2HD1  ILE  91          2HD1      ILE  91  -0.490   0.333  -1.981
  712   3HD1  ILE  91          3HD1      ILE  91  -1.059   1.447  -3.247
   
  No H/Q in entry =         712
  Start of MODEL   10
    1   1H    MET   1           H        MET   1   9.110   2.826  10.540
    2   2H    MET   1          2HN       MET   1   9.666   2.957  12.094
    3   3H    MET   1          3HN       MET   1   9.028   4.279  11.329
    4    HA   MET   1           HA       MET   1  10.934   4.857  10.539
    5   1HB   MET   1          1HB       MET   1  11.754   2.384  12.095
    6   2HB   MET   1          2HB       MET   1  12.933   3.447  11.290
    7   1HG   MET   1          1HG       MET   1  12.247   5.338  12.589
    8   2HG   MET   1          2HG       MET   1  10.831   4.478  13.217
    9   1HE   MET   1          3HE       MET   1  12.485   6.176  14.825
   10   2HE   MET   1          1HE       MET   1  11.621   5.139  15.984
   11   3HE   MET   1          2HE       MET   1  13.379   5.370  16.136
   12    H    LEU   2           H        LEU   2   9.588   1.756   9.675
   13    HA   LEU   2           HA       LEU   2  11.551   1.040   7.772
   14   1HB   LEU   2          1HB       LEU   2   8.771   0.197   8.450
   15   2HB   LEU   2          2HB       LEU   2   9.428  -0.274   6.895
   16    HG   LEU   2           HG       LEU   2  10.793  -0.856   9.535
   17   1HD1  LEU   2          1HD1      LEU   2   8.408  -1.914   8.926
   18   2HD1  LEU   2          2HD1      LEU   2   9.454  -3.036   8.023
   19   3HD1  LEU   2          3HD1      LEU   2   9.684  -2.818   9.774
   20   1HD2  LEU   2          2HD2      LEU   2  11.957  -0.817   7.124
   21   2HD2  LEU   2          3HD2      LEU   2  12.394  -1.985   8.394
   22   3HD2  LEU   2          1HD2      LEU   2  11.287  -2.465   7.083
   23    H    VAL   3           H        VAL   3  11.101   0.947   5.361
   24    HA   VAL   3           HA       VAL   3   9.356   3.066   4.427
   25    HB   VAL   3           HB       VAL   3  12.311   3.037   3.789
   26   1HG1  VAL   3          2HG1      VAL   3   9.993   4.777   2.940
   27   2HG1  VAL   3          3HG1      VAL   3  11.667   5.383   2.912
   28   3HG1  VAL   3          1HG1      VAL   3  11.217   3.964   1.935
   29   1HG2  VAL   3          1HG2      VAL   3  10.718   4.693   5.754
   30   2HG2  VAL   3          2HG2      VAL   3  12.211   3.764   6.030
   31   3HG2  VAL   3          3HG2      VAL   3  12.259   5.260   5.066
   32    H    ALA   4           H        ALA   4   9.471   3.077   1.883
   33    HA   ALA   4           HA       ALA   4   9.176   1.971  -0.009
   34   1HB   ALA   4          2HB       ALA   4  11.180   0.045   1.233
   35   2HB   ALA   4          3HB       ALA   4  10.639  -0.016  -0.462
   36   3HB   ALA   4          1HB       ALA   4  11.535   1.401   0.136
   37    H    LYS   5           H        LYS   5   6.996   1.479   0.099
   38    HA   LYS   5           HA       LYS   5   6.351  -1.089   1.370
   39   1HB   LYS   5          1HB       LYS   5   4.789   1.481   1.131
   40   2HB   LYS   5          2HB       LYS   5   3.981  -0.050   1.400
   41   1HG   LYS   5          1HG       LYS   5   6.325   0.365   3.171
   42   2HG   LYS   5          2HG       LYS   5   5.072   1.571   3.387
   43   1HD   LYS   5          1HD       LYS   5   3.453  -0.559   3.375
   44   2HD   LYS   5          2HD       LYS   5   4.918  -1.419   3.805
   45   1HE   LYS   5          1HE       LYS   5   5.259   0.094   5.752
   46   2HE   LYS   5          2HE       LYS   5   3.834   1.013   5.307
   47   1HZ   LYS   5          2HZ       LYS   5   2.561  -1.053   5.561
   48   2HZ   LYS   5          3HZ       LYS   5   3.898  -1.813   6.107
   49   3HZ   LYS   5          1HZ       LYS   5   3.261  -0.569   6.954
   50    H    SER   6           H        SER   6   4.206  -2.019   0.278
   51    HA   SER   6           HA       SER   6   4.263  -1.522  -2.560
   52   1HB   SER   6          1HB       SER   6   5.902  -3.306  -2.360
   53   2HB   SER   6          2HB       SER   6   4.857  -4.228  -1.298
   54    HG   SER   6           HG       SER   6   3.317  -4.375  -3.123
   55    H    SER   7           H        SER   7   2.372  -2.700  -3.668
   56    HA   SER   7           HA       SER   7   0.191  -2.843  -1.745
   57   1HB   SER   7          1HB       SER   7  -1.042  -2.663  -4.193
   58   2HB   SER   7          2HB       SER   7  -0.665  -1.289  -3.171
   59    HG   SER   7           HG       SER   7   0.088  -1.249  -5.506
   60    H    ILE   8           H        ILE   8  -1.293  -4.626  -1.827
   61    HA   ILE   8           HA       ILE   8  -0.725  -6.712  -3.769
   62    HB   ILE   8           HB       ILE   8  -0.493  -7.069  -0.783
   63   1HG1  ILE   8          1HG1      ILE   8   1.679  -8.262  -1.851
   64   2HG1  ILE   8          2HG1      ILE   8   1.413  -7.029  -3.068
   65   1HG2  ILE   8          2HG2      ILE   8  -1.646  -8.874  -2.600
   66   2HG2  ILE   8          3HG2      ILE   8   0.005  -9.470  -2.307
   67   3HG2  ILE   8          1HG2      ILE   8  -1.099  -9.198  -0.938
   68   1HD1  ILE   8          2HD1      ILE   8   1.172  -5.382  -1.033
   69   2HD1  ILE   8          3HD1      ILE   8   1.976  -6.675  -0.110
   70   3HD1  ILE   8          1HD1      ILE   8   2.799  -5.932  -1.503
   71    H    LEU   9           H        LEU   9  -2.718  -6.535  -4.746
   72    HA   LEU   9           HA       LEU   9  -5.064  -6.348  -3.063
   73   1HB   LEU   9          1HB       LEU   9  -4.774  -4.995  -5.120
   74   2HB   LEU   9          2HB       LEU   9  -4.798  -6.466  -6.070
   75    HG   LEU   9           HG       LEU   9  -7.117  -6.904  -5.073
   76   1HD1  LEU   9          1HD1      LEU   9  -6.777  -5.176  -3.239
   77   2HD1  LEU   9          2HD1      LEU   9  -7.087  -3.942  -4.484
   78   3HD1  LEU   9          3HD1      LEU   9  -8.339  -5.146  -4.092
   79   1HD2  LEU   9          3HD2      LEU   9  -6.349  -4.897  -7.126
   80   2HD2  LEU   9          1HD2      LEU   9  -7.299  -6.395  -7.274
   81   3HD2  LEU   9          2HD2      LEU   9  -8.053  -4.924  -6.614
   82    H    LEU  10           H        LEU  10  -6.272  -8.048  -2.399
   83    HA   LEU  10           HA       LEU  10  -5.650 -10.631  -3.646
   84   1HB   LEU  10          1HB       LEU  10  -6.269  -9.782  -0.855
   85   2HB   LEU  10          2HB       LEU  10  -6.797 -11.369  -1.374
   86    HG   LEU  10           HG       LEU  10  -4.472 -11.954  -1.970
   87   1HD1  LEU  10          1HD1      LEU  10  -3.623  -9.743  -2.522
   88   2HD1  LEU  10          2HD1      LEU  10  -3.780  -9.235  -0.823
   89   3HD1  LEU  10          3HD1      LEU  10  -2.615 -10.505  -1.269
   90   1HD2  LEU  10          1HD2      LEU  10  -5.609 -11.758   0.573
   91   2HD2  LEU  10          2HD2      LEU  10  -4.222 -12.760   0.085
   92   3HD2  LEU  10          3HD2      LEU  10  -3.951 -11.137   0.763
   93    H    ASP  11           H        ASP  11  -7.424 -12.111  -4.057
   94    HA   ASP  11           HA       ASP  11  -9.985 -10.726  -4.178
   95   1HB   ASP  11          1HB       ASP  11  -8.373 -11.900  -6.335
   96   2HB   ASP  11          2HB       ASP  11  -9.953 -12.652  -6.257
   97    H    VAL  12           H        VAL  12 -10.523 -11.909  -2.164
   98    HA   VAL  12           HA       VAL  12 -10.430 -14.800  -2.278
   99    HB   VAL  12           HB       VAL  12 -11.559 -13.042  -0.103
  100   1HG1  VAL  12          2HG1      VAL  12 -11.539 -15.787  -0.396
  101   2HG1  VAL  12          3HG1      VAL  12 -10.102 -15.490   0.612
  102   3HG1  VAL  12          1HG1      VAL  12 -11.697 -14.906   1.142
  103   1HG2  VAL  12          1HG2      VAL  12  -8.769 -13.349  -0.983
  104   2HG2  VAL  12          2HG2      VAL  12  -9.512 -12.130   0.079
  105   3HG2  VAL  12          3HG2      VAL  12  -9.025 -13.707   0.741
  106    H    LYS  13           H        LYS  13 -12.258 -16.169  -2.294
  107    HA   LYS  13           HA       LYS  13 -14.721 -14.790  -3.107
  108   1HB   LYS  13          1HB       LYS  13 -13.251 -16.568  -4.575
  109   2HB   LYS  13          2HB       LYS  13 -14.393 -17.646  -3.797
  110   1HG   LYS  13          1HG       LYS  13 -16.119 -16.899  -5.079
  111   2HG   LYS  13          2HG       LYS  13 -15.744 -15.222  -4.739
  112   1HD   LYS  13          1HD       LYS  13 -13.943 -15.267  -6.473
  113   2HD   LYS  13          2HD       LYS  13 -14.305 -16.948  -6.810
  114   1HE   LYS  13          1HE       LYS  13 -16.763 -15.387  -6.928
  115   2HE   LYS  13          2HE       LYS  13 -15.548 -14.640  -7.947
  116   1HZ   LYS  13          3HZ       LYS  13 -15.896 -17.522  -8.085
  117   2HZ   LYS  13          1HZ       LYS  13 -16.987 -16.564  -8.833
  118   3HZ   LYS  13          2HZ       LYS  13 -15.410 -16.482  -9.248
  119    HA   PRO  14           HA       PRO  14 -16.400 -16.451   0.529
  120   1HB   PRO  14          1HB       PRO  14 -19.005 -15.717   0.147
  121   2HB   PRO  14          2HB       PRO  14 -17.789 -14.633   0.794
  122   1HG   PRO  14          1HG       PRO  14 -18.985 -14.676  -1.910
  123   2HG   PRO  14          2HG       PRO  14 -18.111 -13.380  -1.116
  124   1HD   PRO  14          1HD       PRO  14 -17.108 -15.131  -3.155
  125   2HD   PRO  14          2HD       PRO  14 -16.202 -13.913  -2.281
  126    H    TRP  15           H        TRP  15 -17.899 -18.064   1.401
  127    HA   TRP  15           HA       TRP  15 -17.870 -20.306  -0.318
  128   1HB   TRP  15          1HB       TRP  15 -18.440 -19.713   2.454
  129   2HB   TRP  15          2HB       TRP  15 -19.642 -20.805   1.797
  130    HD1  TRP  15           HD       TRP  15 -16.891 -21.355   3.808
  131    HE1  TRP  15          1HE       TRP  15 -15.439 -23.508   3.337
  132    HE3  TRP  15          3HE       TRP  15 -18.569 -22.090  -0.936
  133    HZ2  TRP  15          2HZ       TRP  15 -15.162 -25.238   1.085
  134    HZ3  TRP  15          3HZ       TRP  15 -17.657 -24.035  -2.201
  135    HH2  TRP  15           HH       TRP  15 -16.011 -25.580  -1.265
  136    H    ASP  16           H        ASP  16 -20.189 -17.731   0.507
  137    HA   ASP  16           HA       ASP  16 -21.670 -18.083  -1.752
  138   1HB   ASP  16          1HB       ASP  16 -22.360 -20.001   0.300
  139   2HB   ASP  16          2HB       ASP  16 -23.690 -18.870   0.153
  140    H    ASP  17           H        ASP  17 -24.208 -17.156  -1.022
  141    HA   ASP  17           HA       ASP  17 -23.717 -14.559  -0.308
  142   1HB   ASP  17          1HB       ASP  17 -25.752 -14.849  -1.409
  143   2HB   ASP  17          2HB       ASP  17 -26.138 -16.319  -0.537
  144    H    GLU  18           H        GLU  18 -24.111 -17.474   1.607
  145    HA   GLU  18           HA       GLU  18 -25.101 -16.276   3.937
  146   1HB   GLU  18          1HB       GLU  18 -24.500 -18.404   5.020
  147   2HB   GLU  18          2HB       GLU  18 -25.271 -18.704   3.475
  148   1HG   GLU  18          1HG       GLU  18 -22.979 -18.935   2.424
  149   2HG   GLU  18          2HG       GLU  18 -22.264 -18.746   4.013
  150    H    THR  19           H        THR  19 -21.821 -16.881   2.616
  151    HA   THR  19           HA       THR  19 -20.263 -16.486   4.821
  152    HB   THR  19           HB       THR  19 -19.914 -15.589   1.915
  153    HG1  THR  19          1HG       THR  19 -18.991 -17.828   3.576
  154   1HG2  THR  19          3HG2      THR  19 -17.926 -15.856   4.224
  155   2HG2  THR  19          1HG2      THR  19 -17.430 -15.931   2.516
  156   3HG2  THR  19          2HG2      THR  19 -18.167 -14.447   3.163
  157    H    ASP  20           H        ASP  20 -20.495 -15.029   6.403
  158    HA   ASP  20           HA       ASP  20 -21.785 -12.651   6.149
  159   1HB   ASP  20          1HB       ASP  20 -20.677 -14.029   8.208
  160   2HB   ASP  20          2HB       ASP  20 -19.441 -12.800   8.031
  161    H    MET  21           H        MET  21 -21.088 -11.407   4.304
  162    HA   MET  21           HA       MET  21 -18.458 -11.011   3.606
  163   1HB   MET  21          1HB       MET  21 -21.044  -9.447   3.171
  164   2HB   MET  21          2HB       MET  21 -19.537  -8.854   2.502
  165   1HG   MET  21          1HG       MET  21 -19.470 -11.520   1.726
  166   2HG   MET  21          2HG       MET  21 -21.188 -11.182   1.663
  167   1HE   MET  21          1HE       MET  21 -18.378 -11.589  -0.148
  168   2HE   MET  21          2HE       MET  21 -19.756 -11.775  -1.260
  169   3HE   MET  21          3HE       MET  21 -18.491 -10.572  -1.606
  170    H    ALA  22           H        ALA  22 -20.625  -9.127   5.787
  171    HA   ALA  22           HA       ALA  22 -18.950  -6.938   6.154
  172   1HB   ALA  22          2HB       ALA  22 -21.151  -8.265   7.743
  173   2HB   ALA  22          3HB       ALA  22 -20.260  -6.880   8.419
  174   3HB   ALA  22          1HB       ALA  22 -21.160  -6.701   6.895
  175    H    LYS  23           H        LYS  23 -19.105 -10.155   7.773
  176    HA   LYS  23           HA       LYS  23 -17.154  -9.494   9.714
  177   1HB   LYS  23          1HB       LYS  23 -18.999 -11.402   9.578
  178   2HB   LYS  23          2HB       LYS  23 -17.682 -12.318   8.874
  179   1HG   LYS  23          1HG       LYS  23 -16.874 -12.692  10.956
  180   2HG   LYS  23          2HG       LYS  23 -16.541 -10.978  11.107
  181   1HD   LYS  23          1HD       LYS  23 -19.141 -10.828  11.692
  182   2HD   LYS  23          2HD       LYS  23 -18.955 -12.531  12.064
  183   1HE   LYS  23          1HE       LYS  23 -17.986 -12.030  14.052
  184   2HE   LYS  23          2HE       LYS  23 -16.726 -11.118  13.245
  185   1HZ   LYS  23          1HZ       LYS  23 -18.292  -9.248  13.161
  186   2HZ   LYS  23          2HZ       LYS  23 -19.363 -10.104  14.049
  187   3HZ   LYS  23          3HZ       LYS  23 -17.918  -9.691  14.688
  188    H    LEU  24           H        LEU  24 -17.053 -11.438   6.647
  189    HA   LEU  24           HA       LEU  24 -14.336 -11.958   6.726
  190   1HB   LEU  24          1HB       LEU  24 -16.411 -12.655   5.144
  191   2HB   LEU  24          2HB       LEU  24 -15.596 -11.520   4.085
  192    HG   LEU  24           HG       LEU  24 -14.152 -13.828   5.400
  193   1HD1  LEU  24          3HD1      LEU  24 -16.136 -14.545   3.977
  194   2HD1  LEU  24          1HD1      LEU  24 -15.248 -13.878   2.586
  195   3HD1  LEU  24          2HD1      LEU  24 -14.545 -15.211   3.535
  196   1HD2  LEU  24          3HD2      LEU  24 -13.317 -11.606   3.812
  197   2HD2  LEU  24          1HD2      LEU  24 -12.344 -12.937   4.481
  198   3HD2  LEU  24          2HD2      LEU  24 -13.082 -13.097   2.870
  199    H    GLU  25           H        GLU  25 -16.165  -9.124   5.469
  200    HA   GLU  25           HA       GLU  25 -13.898  -7.926   4.340
  201   1HB   GLU  25          1HB       GLU  25 -16.382  -7.463   3.837
  202   2HB   GLU  25          2HB       GLU  25 -16.407  -6.494   5.297
  203   1HG   GLU  25          1HG       GLU  25 -14.198  -5.417   4.150
  204   2HG   GLU  25          2HG       GLU  25 -14.995  -5.974   2.692
  205    H    GLU  26           H        GLU  26 -15.624  -7.553   7.497
  206    HA   GLU  26           HA       GLU  26 -13.998  -5.477   8.396
  207   1HB   GLU  26          1HB       GLU  26 -15.858  -7.458   9.730
  208   2HB   GLU  26          2HB       GLU  26 -14.883  -6.386  10.714
  209   1HG   GLU  26          1HG       GLU  26 -16.414  -5.165   8.423
  210   2HG   GLU  26          2HG       GLU  26 -17.328  -5.676   9.827
  211    H    CYS  27           H        CYS  27 -14.058  -8.978   9.410
  212    HA   CYS  27           HA       CYS  27 -11.914  -9.040  10.997
  213   1HB   CYS  27          1HB       CYS  27 -13.506 -10.940   9.909
  214   2HB   CYS  27          2HB       CYS  27 -12.027 -11.272   9.032
  215    HG   CYS  27           HG       CYS  27 -12.903 -11.879  11.997
  216    H    VAL  28           H        VAL  28 -11.842  -9.520   7.384
  217    HA   VAL  28           HA       VAL  28  -9.222  -9.792   6.935
  218    HB   VAL  28           HB       VAL  28 -11.452  -8.453   5.495
  219   1HG1  VAL  28          3HG1      VAL  28  -8.570  -7.902   4.981
  220   2HG1  VAL  28          1HG1      VAL  28  -9.589  -8.256   3.566
  221   3HG1  VAL  28          2HG1      VAL  28 -10.008  -6.907   4.649
  222   1HG2  VAL  28          3HG2      VAL  28 -10.375 -11.009   5.578
  223   2HG2  VAL  28          1HG2      VAL  28 -11.500 -10.379   4.352
  224   3HG2  VAL  28          2HG2      VAL  28  -9.747 -10.343   4.051
  225    H    ARG  29           H        ARG  29 -10.931  -6.684   7.625
  226    HA   ARG  29           HA       ARG  29  -8.555  -5.197   7.370
  227   1HB   ARG  29          1HB       ARG  29 -11.354  -4.644   8.401
  228   2HB   ARG  29          2HB       ARG  29 -10.092  -3.462   8.690
  229   1HG   ARG  29          1HG       ARG  29  -9.686  -3.169   6.320
  230   2HG   ARG  29          2HG       ARG  29 -10.640  -4.580   5.908
  231   1HD   ARG  29          1HD       ARG  29 -12.460  -3.240   5.694
  232   2HD   ARG  29          2HD       ARG  29 -12.389  -2.915   7.415
  233    HE   ARG  29           HE       ARG  29 -10.472  -1.286   5.967
  234   1HH1  ARG  29          1HH2      ARG  29 -14.186   0.151   6.616
  235   2HH1  ARG  29          2HH2      ARG  29 -13.886  -1.547   6.781
  236   1HH2  ARG  29          2HH1      ARG  29 -10.868   0.955   5.750
  237   2HH2  ARG  29          1HH1      ARG  29 -12.459   1.583   6.027
  238    H    SER  30           H        SER  30 -10.510  -6.520  10.110
  239    HA   SER  30           HA       SER  30  -9.254  -5.339  12.188
  240   1HB   SER  30          1HB       SER  30 -10.223  -7.000  13.536
  241   2HB   SER  30          2HB       SER  30 -11.232  -7.045  12.104
  242    HG   SER  30           HG       SER  30  -9.375  -8.950  13.074
  243    H    ILE  31           H        ILE  31  -8.185  -8.122  10.185
  244    HA   ILE  31           HA       ILE  31  -6.187  -9.166  11.683
  245    HB   ILE  31           HB       ILE  31  -6.295  -8.646   8.712
  246   1HG1  ILE  31          1HG1      ILE  31  -6.876 -11.189  10.251
  247   2HG1  ILE  31          2HG1      ILE  31  -8.113 -10.032   9.799
  248   1HG2  ILE  31          2HG2      ILE  31  -4.023  -9.344  10.138
  249   2HG2  ILE  31          3HG2      ILE  31  -4.663 -10.904   9.570
  250   3HG2  ILE  31          1HG2      ILE  31  -4.311  -9.608   8.401
  251   1HD1  ILE  31          2HD1      ILE  31  -7.315 -10.259   7.379
  252   2HD1  ILE  31          3HD1      ILE  31  -6.293 -11.609   7.930
  253   3HD1  ILE  31          1HD1      ILE  31  -8.065 -11.718   8.071
  254    H    GLN  32           H        GLN  32  -4.324  -8.462  12.589
  255    HA   GLN  32           HA       GLN  32  -3.167  -6.056  11.429
  256   1HB   GLN  32          1HB       GLN  32  -4.415  -6.252  13.986
  257   2HB   GLN  32          2HB       GLN  32  -2.692  -6.168  14.295
  258   1HG   GLN  32          1HG       GLN  32  -2.522  -4.131  12.865
  259   2HG   GLN  32          2HG       GLN  32  -4.238  -4.223  12.515
  260   1HE2  GLN  32          2HE2      GLN  32  -3.422  -1.823  15.341
  261   2HE2  GLN  32          1HE2      GLN  32  -2.750  -2.095  13.767
  262    H    ALA  33           H        ALA  33  -1.064  -6.383  10.844
  263    HA   ALA  33           HA       ALA  33   0.443  -8.389  12.370
  264   1HB   ALA  33          2HB       ALA  33   0.354  -8.003   9.350
  265   2HB   ALA  33          3HB       ALA  33   1.477  -9.083  10.211
  266   3HB   ALA  33          1HB       ALA  33  -0.274  -9.398  10.259
  267    H    ASP  34           H        ASP  34   2.905  -8.098  11.889
  268    HA   ASP  34           HA       ASP  34   3.520  -5.476  12.607
  269   1HB   ASP  34          1HB       ASP  34   4.825  -7.604  13.154
  270   2HB   ASP  34          2HB       ASP  34   5.401  -7.611  11.498
  271    H    GLY  35           H        GLY  35   4.556  -3.797  11.343
  272   1HA   GLY  35          1HA       GLY  35   4.776  -2.554   9.469
  273   2HA   GLY  35          2HA       GLY  35   5.720  -3.917   8.903
  274    H    LEU  36           H        LEU  36   2.277  -4.342   9.661
  275    HA   LEU  36           HA       LEU  36   1.795  -4.655   6.785
  276   1HB   LEU  36          1HB       LEU  36   1.489  -6.713   7.861
  277   2HB   LEU  36          2HB       LEU  36   0.657  -5.991   9.224
  278    HG   LEU  36           HG       LEU  36  -0.634  -5.700   6.553
  279   1HD1  LEU  36          3HD1      LEU  36   0.324  -8.187   7.159
  280   2HD1  LEU  36          1HD1      LEU  36  -1.308  -8.242   7.870
  281   3HD1  LEU  36          2HD1      LEU  36  -1.101  -7.853   6.145
  282   1HD2  LEU  36          3HD2      LEU  36  -1.339  -5.225   9.216
  283   2HD2  LEU  36          1HD2      LEU  36  -2.399  -5.160   7.788
  284   3HD2  LEU  36          2HD2      LEU  36  -2.276  -6.660   8.738
  285    H    VAL  37           H        VAL  37   0.411  -3.290   5.766
  286    HA   VAL  37           HA       VAL  37  -1.213  -1.568   7.508
  287    HB   VAL  37           HB       VAL  37   0.447  -1.007   5.081
  288   1HG1  VAL  37          1HG1      VAL  37  -1.788  -0.268   4.430
  289   2HG1  VAL  37          2HG1      VAL  37  -1.954   0.635   5.955
  290   3HG1  VAL  37          3HG1      VAL  37  -0.739   1.132   4.753
  291   1HG2  VAL  37          1HG2      VAL  37   0.844  -0.531   7.730
  292   2HG2  VAL  37          2HG2      VAL  37   1.556   0.441   6.419
  293   3HG2  VAL  37          3HG2      VAL  37   0.072   0.994   7.232
  294    H    TRP  38           H        TRP  38  -3.375  -1.187   6.893
  295    HA   TRP  38           HA       TRP  38  -4.320  -3.021   4.802
  296   1HB   TRP  38          1HB       TRP  38  -5.373  -2.222   7.461
  297   2HB   TRP  38          2HB       TRP  38  -6.548  -2.441   6.179
  298    HD1  TRP  38           HD       TRP  38  -5.232  -4.423   8.846
  299    HE1  TRP  38          1HE       TRP  38  -5.241  -7.031   8.439
  300    HE3  TRP  38          3HE       TRP  38  -5.856  -4.164   3.806
  301    HZ2  TRP  38          2HZ       TRP  38  -5.502  -8.655   6.108
  302    HZ3  TRP  38          3HZ       TRP  38  -5.977  -6.308   2.539
  303    HH2  TRP  38           HH       TRP  38  -5.811  -8.498   3.609
  304    H    GLY  39           H        GLY  39  -4.571  -1.886   2.914
  305   1HA   GLY  39          1HA       GLY  39  -5.032   0.947   2.915
  306   2HA   GLY  39          2HA       GLY  39  -4.937  -0.125   1.532
  307    H    SER  40           H        SER  40  -6.788   0.246   0.359
  308    HA   SER  40           HA       SER  40  -9.272   0.200   1.885
  309   1HB   SER  40          1HB       SER  40  -8.784   2.329   0.652
  310   2HB   SER  40          2HB       SER  40  -8.732   1.434  -0.853
  311    HG   SER  40           HG       SER  40 -10.965   2.104   0.785
  312    H    SER  41           H        SER  41 -10.839  -1.343   1.351
  313    HA   SER  41           HA       SER  41  -9.945  -3.370  -0.471
  314   1HB   SER  41          1HB       SER  41 -11.831  -4.684   0.425
  315   2HB   SER  41          2HB       SER  41 -10.872  -4.012   1.728
  316    HG   SER  41           HG       SER  41 -12.631  -3.044   2.442
  317    H    LYS  42           H        LYS  42 -11.791  -4.401  -1.923
  318    HA   LYS  42           HA       LYS  42 -13.513  -2.292  -2.988
  319   1HB   LYS  42          1HB       LYS  42 -11.987  -4.055  -4.886
  320   2HB   LYS  42          2HB       LYS  42 -12.773  -2.517  -5.185
  321   1HG   LYS  42          1HG       LYS  42 -11.042  -1.492  -3.538
  322   2HG   LYS  42          2HG       LYS  42 -10.182  -3.014  -3.663
  323   1HD   LYS  42          1HD       LYS  42  -9.255  -1.431  -5.291
  324   2HD   LYS  42          2HD       LYS  42 -10.052  -2.735  -6.149
  325   1HE   LYS  42          1HE       LYS  42 -11.394  -1.238  -7.197
  326   2HE   LYS  42          2HE       LYS  42 -12.050  -0.732  -5.653
  327   1HZ   LYS  42          1HZ       LYS  42  -9.572   0.309  -6.843
  328   2HZ   LYS  42          2HZ       LYS  42 -11.013   1.079  -6.837
  329   3HZ   LYS  42          3HZ       LYS  42 -10.230   0.803  -5.431
  330    H    LEU  43           H        LEU  43 -15.340  -3.155  -4.258
  331    HA   LEU  43           HA       LEU  43 -15.879  -5.955  -3.548
  332   1HB   LEU  43          1HB       LEU  43 -17.431  -3.492  -3.073
  333   2HB   LEU  43          2HB       LEU  43 -18.349  -4.835  -3.727
  334    HG   LEU  43           HG       LEU  43 -18.561  -4.932  -1.371
  335   1HD1  LEU  43          2HD1      LEU  43 -18.041  -7.081  -2.652
  336   2HD1  LEU  43          3HD1      LEU  43 -16.423  -6.992  -1.916
  337   3HD1  LEU  43          1HD1      LEU  43 -17.867  -7.120  -0.881
  338   1HD2  LEU  43          3HD2      LEU  43 -15.935  -3.839  -1.355
  339   2HD2  LEU  43          1HD2      LEU  43 -17.063  -4.055   0.005
  340   3HD2  LEU  43          2HD2      LEU  43 -15.908  -5.344  -0.406
  341    H    VAL  44           H        VAL  44 -17.104  -7.186  -5.095
  342    HA   VAL  44           HA       VAL  44 -17.742  -5.938  -7.605
  343    HB   VAL  44           HB       VAL  44 -15.455  -7.884  -7.311
  344   1HG1  VAL  44          3HG1      VAL  44 -17.217  -7.318  -9.681
  345   2HG1  VAL  44          1HG1      VAL  44 -15.492  -7.682  -9.926
  346   3HG1  VAL  44          2HG1      VAL  44 -16.544  -8.862  -9.108
  347   1HG2  VAL  44          1HG2      VAL  44 -15.715  -5.124  -8.543
  348   2HG2  VAL  44          2HG2      VAL  44 -14.767  -5.589  -7.111
  349   3HG2  VAL  44          3HG2      VAL  44 -14.286  -6.169  -8.723
  350    HA   PRO  45           HA       PRO  45 -20.566  -9.205  -6.660
  351   1HB   PRO  45          1HB       PRO  45 -22.731  -8.108  -7.917
  352   2HB   PRO  45          2HB       PRO  45 -22.333  -7.789  -6.240
  353   1HG   PRO  45          1HG       PRO  45 -21.980  -6.037  -8.594
  354   2HG   PRO  45          2HG       PRO  45 -21.993  -5.605  -6.896
  355   1HD   PRO  45          1HD       PRO  45 -19.690  -5.840  -8.589
  356   2HD   PRO  45          2HD       PRO  45 -19.696  -5.521  -6.865
  357    H    VAL  46           H        VAL  46 -21.869 -10.798  -7.876
  358    HA   VAL  46           HA       VAL  46 -20.651 -11.020 -10.538
  359    HB   VAL  46           HB       VAL  46 -21.587 -13.482 -10.049
  360   1HG1  VAL  46          3HG1      VAL  46 -19.030 -12.123  -9.854
  361   2HG1  VAL  46          1HG1      VAL  46 -19.110 -13.500  -8.729
  362   3HG1  VAL  46          2HG1      VAL  46 -19.409 -13.750 -10.466
  363   1HG2  VAL  46          2HG2      VAL  46 -22.486 -12.852  -7.828
  364   2HG2  VAL  46          3HG2      VAL  46 -21.237 -14.116  -7.722
  365   3HG2  VAL  46          1HG2      VAL  46 -20.839 -12.433  -7.297
  366    H    GLY  47           H        GLY  47 -23.651 -10.869  -8.646
  367   1HA   GLY  47          1HA       GLY  47 -25.171 -10.224 -10.972
  368   2HA   GLY  47          2HA       GLY  47 -25.505 -11.855 -10.426
  369    H    TYR  48           H        TYR  48 -26.534 -12.228  -8.384
  370    HA   TYR  48           HA       TYR  48 -27.169  -9.937  -6.742
  371   1HB   TYR  48          1HB       TYR  48 -28.871 -11.002  -8.865
  372   2HB   TYR  48          2HB       TYR  48 -29.611 -11.429  -7.335
  373    HD1  TYR  48          1HD       TYR  48 -30.403  -9.674  -5.783
  374    HD2  TYR  48          2HD       TYR  48 -28.764  -8.693  -9.611
  375    HE1  TYR  48          1HE       TYR  48 -31.387  -7.335  -5.614
  376    HE2  TYR  48          2HE       TYR  48 -29.754  -6.359  -9.429
  377    HH   TYR  48           HH       TYR  48 -30.508  -4.914  -6.921
  378    H    GLY  49           H        GLY  49 -26.049 -11.056  -5.075
  379   1HA   GLY  49          1HA       GLY  49 -27.297 -12.436  -3.223
  380   2HA   GLY  49          2HA       GLY  49 -27.009 -13.729  -4.370
  381    H    ILE  50           H        ILE  50 -24.587 -13.673  -5.319
  382    HA   ILE  50           HA       ILE  50 -22.896 -13.656  -2.945
  383    HB   ILE  50           HB       ILE  50 -22.834 -15.043  -5.597
  384   1HG1  ILE  50          1HG1      ILE  50 -22.102 -16.788  -3.575
  385   2HG1  ILE  50          2HG1      ILE  50 -23.260 -15.740  -2.781
  386   1HG2  ILE  50          1HG2      ILE  50 -20.602 -14.068  -5.355
  387   2HG2  ILE  50          2HG2      ILE  50 -20.463 -14.776  -3.728
  388   3HG2  ILE  50          3HG2      ILE  50 -20.566 -15.836  -5.152
  389   1HD1  ILE  50          2HD1      ILE  50 -24.467 -16.198  -5.256
  390   2HD1  ILE  50          3HD1      ILE  50 -23.699 -17.760  -4.882
  391   3HD1  ILE  50          1HD1      ILE  50 -24.860 -17.043  -3.739
  392    H    LYS  51           H        LYS  51 -20.586 -12.884  -3.241
  393    HA   LYS  51           HA       LYS  51 -20.209 -10.925  -5.313
  394   1HB   LYS  51          1HB       LYS  51 -20.680 -10.127  -2.443
  395   2HB   LYS  51          2HB       LYS  51 -19.676  -9.155  -3.499
  396   1HG   LYS  51          1HG       LYS  51 -21.653  -8.162  -4.091
  397   2HG   LYS  51          2HG       LYS  51 -21.833  -9.551  -5.145
  398   1HD   LYS  51          1HD       LYS  51 -23.677 -10.202  -4.001
  399   2HD   LYS  51          2HD       LYS  51 -22.730 -10.359  -2.535
  400   1HE   LYS  51          1HE       LYS  51 -23.464  -7.560  -3.319
  401   2HE   LYS  51          2HE       LYS  51 -24.793  -8.585  -2.813
  402   1HZ   LYS  51          2HZ       LYS  51 -22.807  -9.054  -1.013
  403   2HZ   LYS  51          3HZ       LYS  51 -22.753  -7.439  -1.249
  404   3HZ   LYS  51          1HZ       LYS  51 -24.143  -8.148  -0.768
  405    H    LYS  52           H        LYS  52 -17.949 -10.061  -5.268
  406    HA   LYS  52           HA       LYS  52 -16.193 -12.181  -4.396
  407   1HB   LYS  52          1HB       LYS  52 -16.284 -10.509  -6.607
  408   2HB   LYS  52          2HB       LYS  52 -14.974  -9.835  -5.661
  409   1HG   LYS  52          1HG       LYS  52 -14.010 -12.185  -5.449
  410   2HG   LYS  52          2HG       LYS  52 -15.253 -12.743  -6.550
  411   1HD   LYS  52          1HD       LYS  52 -13.966 -10.397  -7.687
  412   2HD   LYS  52          2HD       LYS  52 -12.734 -11.548  -7.207
  413   1HE   LYS  52          1HE       LYS  52 -13.646 -13.283  -8.594
  414   2HE   LYS  52          2HE       LYS  52 -15.175 -12.448  -8.783
  415   1HZ   LYS  52          1HZ       LYS  52 -13.858 -10.675  -9.919
  416   2HZ   LYS  52          2HZ       LYS  52 -12.591 -11.705  -9.946
  417   3HZ   LYS  52          3HZ       LYS  52 -13.972 -12.088 -10.728
  418    H    LEU  53           H        LEU  53 -14.364 -11.883  -3.000
  419    HA   LEU  53           HA       LEU  53 -14.749  -9.611  -1.181
  420   1HB   LEU  53          1HB       LEU  53 -14.664 -12.383  -0.710
  421   2HB   LEU  53          2HB       LEU  53 -13.144 -11.752  -0.110
  422    HG   LEU  53           HG       LEU  53 -15.103 -11.913   1.524
  423   1HD1  LEU  53          1HD1      LEU  53 -13.009 -10.694   1.975
  424   2HD1  LEU  53          2HD1      LEU  53 -13.717  -9.232   1.246
  425   3HD1  LEU  53          3HD1      LEU  53 -14.424  -9.919   2.728
  426   1HD2  LEU  53          1HD2      LEU  53 -16.495 -10.558  -0.395
  427   2HD2  LEU  53          2HD2      LEU  53 -16.953 -10.665   1.321
  428   3HD2  LEU  53          3HD2      LEU  53 -16.059  -9.246   0.726
  429    H    GLN  54           H        GLN  54 -13.514  -8.313  -2.799
  430    HA   GLN  54           HA       GLN  54 -10.716  -9.046  -2.901
  431   1HB   GLN  54          1HB       GLN  54 -11.667  -8.452  -5.042
  432   2HB   GLN  54          2HB       GLN  54 -12.382  -6.987  -4.398
  433   1HG   GLN  54          1HG       GLN  54 -10.364  -5.825  -4.391
  434   2HG   GLN  54          2HG       GLN  54  -9.407  -7.263  -4.095
  435   1HE2  GLN  54          2HE2      GLN  54  -8.657  -7.934  -7.408
  436   2HE2  GLN  54          1HE2      GLN  54  -8.463  -8.290  -5.724
  437    H    ILE  55           H        ILE  55  -9.071  -7.828  -1.926
  438    HA   ILE  55           HA       ILE  55  -9.787  -5.304  -0.700
  439    HB   ILE  55           HB       ILE  55  -9.487  -5.868   1.476
  440   1HG1  ILE  55          1HG1      ILE  55  -7.226  -6.873   1.074
  441   2HG1  ILE  55          2HG1      ILE  55  -8.148  -7.621   2.362
  442   1HG2  ILE  55          3HG2      ILE  55 -11.488  -7.015   0.614
  443   2HG2  ILE  55          1HG2      ILE  55 -10.518  -8.482   0.342
  444   3HG2  ILE  55          2HG2      ILE  55 -10.761  -7.869   1.995
  445   1HD1  ILE  55          2HD1      ILE  55  -7.965  -8.679  -0.498
  446   2HD1  ILE  55          3HD1      ILE  55  -7.069  -9.321   0.901
  447   3HD1  ILE  55          1HD1      ILE  55  -8.844  -9.452   0.844
  448    H    GLN  56           H        GLN  56  -7.857  -4.079  -0.020
  449    HA   GLN  56           HA       GLN  56  -5.485  -5.107  -1.375
  450   1HB   GLN  56          1HB       GLN  56  -6.409  -3.270  -2.682
  451   2HB   GLN  56          2HB       GLN  56  -6.553  -2.256  -1.259
  452   1HG   GLN  56          1HG       GLN  56  -4.546  -1.448  -2.121
  453   2HG   GLN  56          2HG       GLN  56  -3.932  -2.687  -1.045
  454   1HE2  GLN  56          1HE2      GLN  56  -4.960  -2.060  -4.371
  455   2HE2  GLN  56          2HE2      GLN  56  -3.905  -3.189  -5.155
  456    H    CYS  57           H        CYS  57  -3.469  -4.826  -0.318
  457    HA   CYS  57           HA       CYS  57  -3.639  -3.580   2.324
  458   1HB   CYS  57          1HB       CYS  57  -1.908  -5.476   2.945
  459   2HB   CYS  57          2HB       CYS  57  -3.634  -5.751   3.060
  460    HG   CYS  57           HG       CYS  57  -1.963  -6.228   0.259
  461    H    VAL  58           H        VAL  58  -1.355  -3.002   3.135
  462    HA   VAL  58           HA       VAL  58   0.417  -2.483   0.850
  463    HB   VAL  58           HB       VAL  58  -0.062  -0.640   3.197
  464   1HG1  VAL  58          3HG1      VAL  58   1.830  -0.700   0.959
  465   2HG1  VAL  58          1HG1      VAL  58   0.932   0.833   1.072
  466   3HG1  VAL  58          2HG1      VAL  58   1.867   0.244   2.468
  467   1HG2  VAL  58          3HG2      VAL  58  -1.270  -0.590   0.415
  468   2HG2  VAL  58          1HG2      VAL  58  -2.125  -0.705   1.972
  469   3HG2  VAL  58          2HG2      VAL  58  -1.279   0.797   1.529
  470    H    VAL  59           H        VAL  59   2.102  -3.867   1.116
  471    HA   VAL  59           HA       VAL  59   2.994  -4.390   3.848
  472    HB   VAL  59           HB       VAL  59   4.095  -6.301   2.947
  473   1HG1  VAL  59          1HG1      VAL  59   1.277  -5.888   1.936
  474   2HG1  VAL  59          2HG1      VAL  59   2.133  -7.435   1.724
  475   3HG1  VAL  59          3HG1      VAL  59   1.834  -6.799   3.360
  476   1HG2  VAL  59          3HG2      VAL  59   3.444  -5.116   0.236
  477   2HG2  VAL  59          1HG2      VAL  59   5.042  -5.511   0.914
  478   3HG2  VAL  59          2HG2      VAL  59   3.918  -6.816   0.463
  479    H    GLU  60           H        GLU  60   5.536  -4.710   3.946
  480    HA   GLU  60           HA       GLU  60   6.580  -2.196   2.996
  481   1HB   GLU  60          1HB       GLU  60   7.095  -4.006   5.260
  482   2HB   GLU  60          2HB       GLU  60   8.580  -3.465   4.502
  483   1HG   GLU  60          1HG       GLU  60   6.383  -1.470   5.148
  484   2HG   GLU  60          2HG       GLU  60   7.492  -1.994   6.400
  485    H    ASP  61           H        ASP  61   6.684  -2.871   0.704
  486    HA   ASP  61           HA       ASP  61   7.745  -3.554  -1.057
  487   1HB   ASP  61          1HB       ASP  61   9.782  -2.580  -0.353
  488   2HB   ASP  61          2HB       ASP  61   9.965  -3.689   0.991
  489    H    ASP  62           H        ASP  62   9.678  -5.687   1.128
  490    HA   ASP  62           HA       ASP  62   8.063  -7.937   0.255
  491   1HB   ASP  62          1HB       ASP  62  10.309  -7.565  -1.058
  492   2HB   ASP  62          2HB       ASP  62  11.095  -8.098   0.416
  493    H    LYS  63           H        LYS  63   8.370  -6.278   2.782
  494    HA   LYS  63           HA       LYS  63   9.841  -7.994   4.578
  495   1HB   LYS  63          1HB       LYS  63   9.332  -5.303   4.525
  496   2HB   LYS  63          2HB       LYS  63   8.140  -5.849   5.687
  497   1HG   LYS  63          1HG       LYS  63   9.812  -5.846   7.226
  498   2HG   LYS  63          2HG       LYS  63  10.417  -7.288   6.435
  499   1HD   LYS  63          1HD       LYS  63  11.214  -4.831   5.009
  500   2HD   LYS  63          2HD       LYS  63  11.768  -4.833   6.672
  501   1HE   LYS  63          1HE       LYS  63  13.333  -6.436   6.253
  502   2HE   LYS  63          2HE       LYS  63  12.174  -7.464   5.436
  503   1HZ   LYS  63          1HZ       LYS  63  13.221  -5.080   4.112
  504   2HZ   LYS  63          2HZ       LYS  63  14.064  -6.480   4.095
  505   3HZ   LYS  63          3HZ       LYS  63  12.570  -6.418   3.438
  506    H    VAL  64           H        VAL  64   6.407  -6.975   4.016
  507    HA   VAL  64           HA       VAL  64   5.609  -9.282   5.644
  508    HB   VAL  64           HB       VAL  64   4.148  -6.744   4.889
  509   1HG1  VAL  64          3HG1      VAL  64   2.687  -8.796   5.026
  510   2HG1  VAL  64          1HG1      VAL  64   3.176  -8.949   6.730
  511   3HG1  VAL  64          2HG1      VAL  64   2.285  -7.508   6.186
  512   1HG2  VAL  64          3HG2      VAL  64   6.052  -7.027   6.806
  513   2HG2  VAL  64          1HG2      VAL  64   4.687  -5.890   6.915
  514   3HG2  VAL  64          2HG2      VAL  64   4.595  -7.470   7.729
  515    H    GLY  65           H        GLY  65   4.814 -11.037   4.607
  516   1HA   GLY  65          1HA       GLY  65   4.113 -10.723   1.764
  517   2HA   GLY  65          2HA       GLY  65   4.619 -12.200   2.561
  518    H    THR  66           H        THR  66   2.298 -12.167   0.980
  519    HA   THR  66           HA       THR  66  -0.007 -11.727   2.625
  520    HB   THR  66           HB       THR  66   0.495 -13.017  -0.105
  521    HG1  THR  66          1HG       THR  66  -0.804 -10.567   0.855
  522   1HG2  THR  66          2HG2      THR  66  -1.837 -13.265   1.540
  523   2HG2  THR  66          3HG2      THR  66  -2.198 -11.999   0.342
  524   3HG2  THR  66          1HG2      THR  66  -1.706 -13.621  -0.200
  525    H    ASP  67           H        ASP  67   2.312 -14.296   2.217
  526    HA   ASP  67           HA       ASP  67   0.983 -16.546   2.538
  527   1HB   ASP  67          1HB       ASP  67   2.876 -17.111   4.318
  528   2HB   ASP  67          2HB       ASP  67   3.290 -16.831   2.639
  529    H    MET  68           H        MET  68   2.024 -14.411   5.315
  530    HA   MET  68           HA       MET  68   0.681 -15.810   7.264
  531   1HB   MET  68          1HB       MET  68   2.431 -13.769   7.277
  532   2HB   MET  68          2HB       MET  68   0.983 -12.785   7.375
  533   1HG   MET  68          1HG       MET  68   0.483 -14.743   9.296
  534   2HG   MET  68          2HG       MET  68   2.217 -14.530   9.436
  535   1HE   MET  68          2HE       MET  68  -1.170 -12.914   9.186
  536   2HE   MET  68          3HE       MET  68  -1.034 -13.194  10.939
  537   3HE   MET  68          1HE       MET  68  -1.099 -11.533  10.305
  538    H    LEU  69           H        LEU  69  -0.350 -12.864   5.406
  539    HA   LEU  69           HA       LEU  69  -2.770 -12.468   6.642
  540   1HB   LEU  69          1HB       LEU  69  -1.731 -11.922   3.881
  541   2HB   LEU  69          2HB       LEU  69  -3.395 -11.555   4.290
  542    HG   LEU  69           HG       LEU  69  -0.994 -10.466   5.786
  543   1HD1  LEU  69          1HD1      LEU  69  -1.658  -9.801   3.220
  544   2HD1  LEU  69          2HD1      LEU  69  -2.593  -8.609   4.155
  545   3HD1  LEU  69          3HD1      LEU  69  -0.831  -8.731   4.376
  546   1HD2  LEU  69          1HD2      LEU  69  -3.858 -10.427   6.293
  547   2HD2  LEU  69          2HD2      LEU  69  -2.501  -9.944   7.338
  548   3HD2  LEU  69          3HD2      LEU  69  -3.180  -8.787   6.168
  549    H    GLU  70           H        GLU  70  -2.016 -14.534   3.756
  550    HA   GLU  70           HA       GLU  70  -4.569 -15.394   3.316
  551   1HB   GLU  70          1HB       GLU  70  -2.752 -15.816   1.741
  552   2HB   GLU  70          2HB       GLU  70  -1.910 -16.824   2.901
  553   1HG   GLU  70          1HG       GLU  70  -4.313 -18.122   2.855
  554   2HG   GLU  70          2HG       GLU  70  -4.326 -17.450   1.236
  555    H    GLU  71           H        GLU  71  -1.978 -16.986   5.313
  556    HA   GLU  71           HA       GLU  71  -3.562 -19.080   6.154
  557   1HB   GLU  71          1HB       GLU  71  -1.088 -17.739   7.279
  558   2HB   GLU  71          2HB       GLU  71  -1.852 -19.052   8.153
  559   1HG   GLU  71          1HG       GLU  71  -1.252 -19.399   5.205
  560   2HG   GLU  71          2HG       GLU  71   0.054 -19.554   6.364
  561    H    GLN  72           H        GLN  72  -3.790 -15.731   6.871
  562    HA   GLN  72           HA       GLN  72  -5.001 -16.236   9.450
  563   1HB   GLN  72          1HB       GLN  72  -3.388 -14.366   9.262
  564   2HB   GLN  72          2HB       GLN  72  -4.361 -13.625   8.007
  565   1HG   GLN  72          1HG       GLN  72  -5.729 -12.658   9.538
  566   2HG   GLN  72          2HG       GLN  72  -6.040 -14.197  10.316
  567   1HE2  GLN  72          2HE2      GLN  72  -4.458 -13.066  13.180
  568   2HE2  GLN  72          1HE2      GLN  72  -5.864 -13.706  12.398
  569    H    ILE  73           H        ILE  73  -5.746 -14.729   6.236
  570    HA   ILE  73           HA       ILE  73  -8.495 -14.374   6.918
  571    HB   ILE  73           HB       ILE  73  -7.130 -14.230   4.229
  572   1HG1  ILE  73          1HG1      ILE  73  -7.717 -11.816   5.903
  573   2HG1  ILE  73          2HG1      ILE  73  -6.291 -12.764   6.272
  574   1HG2  ILE  73          1HG2      ILE  73  -9.873 -13.710   5.181
  575   2HG2  ILE  73          2HG2      ILE  73  -9.161 -12.422   4.179
  576   3HG2  ILE  73          3HG2      ILE  73  -9.265 -14.083   3.550
  577   1HD1  ILE  73          3HD1      ILE  73  -5.553 -12.571   3.886
  578   2HD1  ILE  73          1HD1      ILE  73  -6.980 -11.562   3.551
  579   3HD1  ILE  73          2HD1      ILE  73  -5.723 -10.983   4.672
  580    H    THR  74           H        THR  74  -6.872 -16.389   4.358
  581    HA   THR  74           HA       THR  74  -9.089 -17.957   3.816
  582    HB   THR  74           HB       THR  74  -6.538 -17.644   2.831
  583    HG1  THR  74          1HG       THR  74  -8.562 -18.538   1.858
  584   1HG2  THR  74          3HG2      THR  74  -5.645 -19.235   4.633
  585   2HG2  THR  74          1HG2      THR  74  -6.706 -20.490   3.948
  586   3HG2  THR  74          2HG2      THR  74  -5.393 -19.800   2.965
  587    H    ALA  75           H        ALA  75  -7.041 -17.921   6.634
  588    HA   ALA  75           HA       ALA  75  -7.025 -20.477   7.501
  589   1HB   ALA  75          3HB       ALA  75  -6.673 -17.895   8.581
  590   2HB   ALA  75          1HB       ALA  75  -7.854 -18.697   9.644
  591   3HB   ALA  75          2HB       ALA  75  -6.268 -19.448   9.350
  592    H    PHE  76           H        PHE  76  -9.818 -18.301   7.154
  593    HA   PHE  76           HA       PHE  76 -11.525 -20.136   8.597
  594   1HB   PHE  76          1HB       PHE  76 -11.497 -17.355   7.538
  595   2HB   PHE  76          2HB       PHE  76 -13.027 -18.150   7.219
  596    HD1  PHE  76          2HD       PHE  76 -13.610 -19.719   9.524
  597    HD2  PHE  76          1HD       PHE  76 -11.693 -15.937   9.337
  598    HE1  PHE  76          2HE       PHE  76 -14.357 -19.225  11.869
  599    HE2  PHE  76          1HE       PHE  76 -12.440 -15.443  11.683
  600    HZ   PHE  76           HZ       PHE  76 -13.763 -17.093  12.920
  601    H    GLU  77           H        GLU  77 -11.491 -22.049   7.304
  602    HA   GLU  77           HA       GLU  77 -12.037 -21.859   4.533
  603   1HB   GLU  77          1HB       GLU  77 -11.025 -23.815   6.302
  604   2HB   GLU  77          2HB       GLU  77 -12.524 -24.499   5.704
  605   1HG   GLU  77          1HG       GLU  77 -10.533 -23.230   3.790
  606   2HG   GLU  77          2HG       GLU  77 -10.320 -24.883   4.329
  607    H    ASP  78           H        ASP  78 -13.958 -21.494   7.295
  608    HA   ASP  78           HA       ASP  78 -16.257 -22.794   6.156
  609   1HB   ASP  78          1HB       ASP  78 -15.401 -22.174   8.766
  610   2HB   ASP  78          2HB       ASP  78 -16.710 -21.041   8.487
  611    H    TYR  79           H        TYR  79 -14.657 -20.112   5.325
  612    HA   TYR  79           HA       TYR  79 -17.101 -18.626   4.732
  613   1HB   TYR  79          1HB       TYR  79 -14.467 -17.572   5.940
  614   2HB   TYR  79          2HB       TYR  79 -15.781 -16.538   5.416
  615    HD1  TYR  79          1HD       TYR  79 -15.018 -19.317   7.804
  616    HD2  TYR  79          2HD       TYR  79 -17.458 -15.913   6.931
  617    HE1  TYR  79          1HE       TYR  79 -16.066 -19.465  10.116
  618    HE2  TYR  79          2HE       TYR  79 -18.497 -16.073   9.245
  619    HH   TYR  79           HH       TYR  79 -17.944 -18.814  11.283
  620    H    VAL  80           H        VAL  80 -13.547 -19.069   4.260
  621    HA   VAL  80           HA       VAL  80 -13.671 -17.686   1.731
  622    HB   VAL  80           HB       VAL  80 -11.436 -19.179   3.117
  623   1HG1  VAL  80          3HG1      VAL  80 -11.651 -17.908   0.482
  624   2HG1  VAL  80          1HG1      VAL  80 -10.298 -17.286   1.455
  625   3HG1  VAL  80          2HG1      VAL  80 -10.424 -19.029   1.119
  626   1HG2  VAL  80          2HG2      VAL  80 -12.659 -16.755   3.833
  627   2HG2  VAL  80          3HG2      VAL  80 -11.095 -17.385   4.403
  628   3HG2  VAL  80          1HG2      VAL  80 -11.156 -16.293   2.997
  629    H    GLN  81           H        GLN  81 -14.101 -18.621  -0.204
  630    HA   GLN  81           HA       GLN  81 -14.509 -21.456  -0.203
  631   1HB   GLN  81          1HB       GLN  81 -16.114 -19.850  -1.283
  632   2HB   GLN  81          2HB       GLN  81 -14.876 -19.421  -2.447
  633   1HG   GLN  81          1HG       GLN  81 -14.822 -22.150  -2.697
  634   2HG   GLN  81          2HG       GLN  81 -16.497 -21.929  -2.232
  635   1HE2  GLN  81          2HE2      GLN  81 -17.522 -20.187  -5.134
  636   2HE2  GLN  81          1HE2      GLN  81 -17.816 -20.451  -3.448
  637    H    SER  82           H        SER  82 -12.229 -19.033  -1.507
  638    HA   SER  82           HA       SER  82 -10.147 -20.736  -1.707
  639   1HB   SER  82          1HB       SER  82 -10.037 -20.975  -4.296
  640   2HB   SER  82          2HB       SER  82 -11.058 -22.088  -3.407
  641    HG   SER  82           HG       SER  82 -12.815 -20.364  -3.852
  642    H    MET  83           H        MET  83  -8.798 -19.021  -1.209
  643    HA   MET  83           HA       MET  83  -9.206 -16.487  -2.397
  644   1HB   MET  83          1HB       MET  83  -8.303 -16.478  -0.176
  645   2HB   MET  83          2HB       MET  83  -7.164 -17.762  -0.533
  646   1HG   MET  83          1HG       MET  83  -5.887 -16.201  -2.031
  647   2HG   MET  83          2HG       MET  83  -7.016 -14.918  -1.647
  648   1HE   MET  83          1HE       MET  83  -4.159 -14.470  -1.387
  649   2HE   MET  83          2HE       MET  83  -3.407 -14.571   0.223
  650   3HE   MET  83          3HE       MET  83  -3.544 -16.029  -0.788
  651    H    ASP  84           H        ASP  84  -7.482 -15.275  -3.617
  652    HA   ASP  84           HA       ASP  84  -5.609 -16.971  -4.989
  653   1HB   ASP  84          1HB       ASP  84  -7.936 -15.540  -6.297
  654   2HB   ASP  84          2HB       ASP  84  -6.435 -15.708  -7.187
  655    H    VAL  85           H        VAL  85  -4.596 -15.209  -6.863
  656    HA   VAL  85           HA       VAL  85  -3.962 -12.842  -5.245
  657    HB   VAL  85           HB       VAL  85  -2.173 -14.552  -5.788
  658   1HG1  VAL  85          1HG1      VAL  85  -3.156 -14.515  -8.311
  659   2HG1  VAL  85          2HG1      VAL  85  -1.825 -13.346  -8.479
  660   3HG1  VAL  85          3HG1      VAL  85  -1.492 -14.999  -7.905
  661   1HG2  VAL  85          3HG2      VAL  85  -1.906 -12.023  -5.225
  662   2HG2  VAL  85          1HG2      VAL  85  -0.513 -12.920  -5.873
  663   3HG2  VAL  85          2HG2      VAL  85  -1.463 -11.860  -6.941
  664    H    ALA  86           H        ALA  86  -4.339 -10.812  -6.069
  665    HA   ALA  86           HA       ALA  86  -5.750 -10.758  -8.621
  666   1HB   ALA  86          3HB       ALA  86  -6.302  -9.638  -6.175
  667   2HB   ALA  86          1HB       ALA  86  -5.502  -8.285  -7.010
  668   3HB   ALA  86          2HB       ALA  86  -6.943  -9.045  -7.726
  669    H    ALA  87           H        ALA  87  -2.784  -9.678  -6.970
  670    HA   ALA  87           HA       ALA  87  -1.319  -9.388  -9.262
  671   1HB   ALA  87          3HB       ALA  87  -3.195  -7.288  -9.075
  672   2HB   ALA  87          1HB       ALA  87  -1.641  -6.582  -8.573
  673   3HB   ALA  87          2HB       ALA  87  -1.786  -7.379 -10.158
  674    H    PHE  88           H        PHE  88   0.691  -7.798  -8.755
  675    HA   PHE  88           HA       PHE  88   1.167  -7.534  -5.931
  676   1HB   PHE  88          1HB       PHE  88   1.895  -9.897  -7.435
  677   2HB   PHE  88          2HB       PHE  88   3.382  -9.006  -7.176
  678    HD1  PHE  88          1HD       PHE  88   4.225  -8.630  -4.902
  679    HD2  PHE  88          2HD       PHE  88   0.727 -10.930  -5.595
  680    HE1  PHE  88          1HE       PHE  88   4.379  -9.564  -2.577
  681    HE2  PHE  88          2HE       PHE  88   0.881 -11.865  -3.270
  682    HZ   PHE  88           HZ       PHE  88   2.705 -11.171  -1.789
  683    H    ASN  89           H        ASN  89   1.468  -5.301  -6.393
  684    HA   ASN  89           HA       ASN  89   4.033  -4.794  -7.614
  685   1HB   ASN  89          1HB       ASN  89   3.012  -2.788  -8.843
  686   2HB   ASN  89          2HB       ASN  89   2.564  -4.353  -9.493
  687   1HD2  ASN  89          2HD2      ASN  89  -0.243  -1.753  -8.389
  688   2HD2  ASN  89          1HD2      ASN  89   1.424  -1.416  -8.714
  689    H    LYS  90           H        LYS  90   4.482  -2.228  -7.260
  690    HA   LYS  90           HA       LYS  90   3.833  -1.734  -4.477
  691   1HB   LYS  90          1HB       LYS  90   5.512   0.225  -4.988
  692   2HB   LYS  90          2HB       LYS  90   6.082  -1.413  -4.739
  693   1HG   LYS  90          1HG       LYS  90   6.444  -1.784  -7.059
  694   2HG   LYS  90          2HG       LYS  90   5.367  -0.486  -7.536
  695   1HD   LYS  90          1HD       LYS  90   7.228   0.802  -7.762
  696   2HD   LYS  90          2HD       LYS  90   7.275   0.862  -6.011
  697   1HE   LYS  90          1HE       LYS  90   9.460   0.122  -6.799
  698   2HE   LYS  90          2HE       LYS  90   8.683  -1.234  -6.006
  699   1HZ   LYS  90          3HZ       LYS  90   7.852  -1.675  -8.415
  700   2HZ   LYS  90          1HZ       LYS  90   9.178  -0.818  -8.829
  701   3HZ   LYS  90          2HZ       LYS  90   9.330  -2.178  -7.937
  702    H    ILE  91           H        ILE  91   3.200   0.432  -3.798
  703    HA   ILE  91           HA       ILE  91   1.178   1.539  -5.672
  704    HB   ILE  91           HB       ILE  91   0.948   2.612  -3.029
  705   1HG1  ILE  91          1HG1      ILE  91   1.450  -0.382  -3.197
  706   2HG1  ILE  91          2HG1      ILE  91   2.221   0.802  -2.115
  707   1HG2  ILE  91          2HG2      ILE  91  -0.754   1.985  -4.923
  708   2HG2  ILE  91          3HG2      ILE  91  -0.740   0.374  -4.167
  709   3HG2  ILE  91          1HG2      ILE  91  -1.250   1.795  -3.225
  710   1HD1  ILE  91          1HD1      ILE  91  -0.771   0.282  -2.072
  711   2HD1  ILE  91          2HD1      ILE  91   0.370  -0.667  -1.089
  712   3HD1  ILE  91          3HD1      ILE  91   0.226   1.089  -0.839
   
  No H/Q in entry =         712
  Start of MODEL   11
    1   1H    MET   1          3HN       MET   1  13.483   1.102   9.980
    2   2H    MET   1           H        MET   1  14.451   0.321   8.887
    3   3H    MET   1          2HN       MET   1  15.103   1.439   9.920
    4    HA   MET   1           HA       MET   1  14.057   3.209   8.904
    5   1HB   MET   1          1HB       MET   1  15.411   1.185   7.130
    6   2HB   MET   1          2HB       MET   1  14.740   2.669   6.413
    7   1HG   MET   1          1HG       MET   1  16.185   3.249   8.868
    8   2HG   MET   1          2HG       MET   1  17.216   2.367   7.728
    9   1HE   MET   1          1HE       MET   1  18.715   3.331   6.873
   10   2HE   MET   1          2HE       MET   1  18.567   4.425   5.478
   11   3HE   MET   1          3HE       MET   1  18.969   5.080   7.083
   12    H    LEU   2           H        LEU   2  13.070   0.105   7.232
   13    HA   LEU   2           HA       LEU   2  11.166  -0.466   6.276
   14   1HB   LEU   2          1HB       LEU   2  10.290   1.398   8.404
   15   2HB   LEU   2          2HB       LEU   2   9.117   1.053   7.148
   16    HG   LEU   2           HG       LEU   2  10.064  -1.467   7.803
   17   1HD1  LEU   2          2HD1      LEU   2  10.757   0.242   9.968
   18   2HD1  LEU   2          3HD1      LEU   2   9.405  -0.787  10.496
   19   3HD1  LEU   2          1HD1      LEU   2  10.891  -1.529   9.857
   20   1HD2  LEU   2          3HD2      LEU   2   7.616   0.110   8.168
   21   2HD2  LEU   2          1HD2      LEU   2   7.840  -1.555   7.580
   22   3HD2  LEU   2          2HD2      LEU   2   7.797  -1.227   9.329
   23    H    VAL   3           H        VAL   3  11.534  -0.024   4.130
   24    HA   VAL   3           HA       VAL   3  10.213   2.319   3.104
   25    HB   VAL   3           HB       VAL   3  13.190   1.904   2.767
   26   1HG1  VAL   3          3HG1      VAL   3  11.256   3.737   1.328
   27   2HG1  VAL   3          1HG1      VAL   3  13.009   4.042   1.393
   28   3HG1  VAL   3          2HG1      VAL   3  12.392   2.558   0.629
   29   1HG2  VAL   3          1HG2      VAL   3  11.562   4.115   4.059
   30   2HG2  VAL   3          2HG2      VAL   3  12.706   3.004   4.851
   31   3HG2  VAL   3          3HG2      VAL   3  13.303   4.227   3.704
   32    H    ALA   4           H        ALA   4   9.947   2.177   0.727
   33    HA   ALA   4           HA       ALA   4   9.618   1.085  -1.177
   34   1HB   ALA   4          1HB       ALA   4  11.982  -0.173  -0.092
   35   2HB   ALA   4          2HB       ALA   4  10.976  -1.396  -0.904
   36   3HB   ALA   4          3HB       ALA   4  11.512   0.049  -1.795
   37    H    LYS   5           H        LYS   5   7.396   0.959  -0.340
   38    HA   LYS   5           HA       LYS   5   6.671  -1.572   0.874
   39   1HB   LYS   5          1HB       LYS   5   5.248   1.039   0.381
   40   2HB   LYS   5          2HB       LYS   5   4.351  -0.406   0.798
   41   1HG   LYS   5          1HG       LYS   5   6.758   0.208   2.486
   42   2HG   LYS   5          2HG       LYS   5   5.385   1.282   2.664
   43   1HD   LYS   5          1HD       LYS   5   3.902  -0.698   3.090
   44   2HD   LYS   5          2HD       LYS   5   5.287  -1.760   2.934
   45   1HE   LYS   5          1HE       LYS   5   5.061  -1.430   5.284
   46   2HE   LYS   5          2HE       LYS   5   6.387  -0.379   4.827
   47   1HZ   LYS   5          3HZ       LYS   5   3.951   0.974   4.541
   48   2HZ   LYS   5          1HZ       LYS   5   4.049   0.351   6.047
   49   3HZ   LYS   5          2HZ       LYS   5   5.222   1.346   5.497
   50    H    SER   6           H        SER   6   4.418  -2.455  -0.089
   51    HA   SER   6           HA       SER   6   4.465  -2.299  -2.962
   52   1HB   SER   6          1HB       SER   6   4.204  -5.072  -2.465
   53   2HB   SER   6          2HB       SER   6   5.537  -4.262  -3.262
   54    HG   SER   6           HG       SER   6   5.283  -4.846  -0.439
   55    H    SER   7           H        SER   7   2.430  -3.013  -3.922
   56    HA   SER   7           HA       SER   7   0.298  -2.877  -2.006
   57   1HB   SER   7          1HB       SER   7   0.461  -1.631  -4.300
   58   2HB   SER   7          2HB       SER   7  -0.020  -3.159  -5.012
   59    HG   SER   7           HG       SER   7  -2.034  -2.949  -4.237
   60    H    ILE   8           H        ILE   8  -1.410  -4.493  -1.844
   61    HA   ILE   8           HA       ILE   8  -0.893  -7.016  -3.200
   62    HB   ILE   8           HB       ILE   8  -1.191  -6.834  -0.202
   63   1HG1  ILE   8          1HG1      ILE   8   0.987  -5.918  -1.042
   64   2HG1  ILE   8          2HG1      ILE   8   1.128  -7.302   0.023
   65   1HG2  ILE   8          3HG2      ILE   8  -2.060  -8.875  -1.504
   66   2HG2  ILE   8          1HG2      ILE   8  -0.344  -9.241  -1.804
   67   3HG2  ILE   8          2HG2      ILE   8  -0.956  -9.155  -0.135
   68   1HD1  ILE   8          3HD1      ILE   8   0.995  -7.737  -2.972
   69   2HD1  ILE   8          1HD1      ILE   8   2.526  -7.246  -2.209
   70   3HD1  ILE   8          2HD1      ILE   8   1.736  -8.766  -1.723
   71    H    LEU   9           H        LEU   9  -2.758  -7.105  -4.369
   72    HA   LEU   9           HA       LEU   9  -5.235  -6.529  -2.903
   73   1HB   LEU   9          1HB       LEU   9  -4.629  -5.152  -4.923
   74   2HB   LEU   9          2HB       LEU   9  -4.816  -6.601  -5.891
   75    HG   LEU   9           HG       LEU   9  -7.204  -6.702  -4.813
   76   1HD1  LEU   9          3HD1      LEU   9  -6.296  -4.474  -3.480
   77   2HD1  LEU   9          1HD1      LEU   9  -7.254  -3.771  -4.805
   78   3HD1  LEU   9          2HD1      LEU   9  -8.000  -4.942  -3.690
   79   1HD2  LEU   9          2HD2      LEU   9  -6.232  -4.969  -7.062
   80   2HD2  LEU   9          3HD2      LEU   9  -7.143  -6.497  -7.111
   81   3HD2  LEU   9          1HD2      LEU   9  -7.958  -4.990  -6.631
   82    H    LEU  10           H        LEU  10  -5.876  -8.424  -1.964
   83    HA   LEU  10           HA       LEU  10  -5.691 -10.838  -3.603
   84   1HB   LEU  10          1HB       LEU  10  -6.172 -10.463  -0.644
   85   2HB   LEU  10          2HB       LEU  10  -6.132 -12.009  -1.469
   86    HG   LEU  10           HG       LEU  10  -3.724 -10.513  -2.051
   87   1HD1  LEU  10          1HD1      LEU  10  -4.406 -10.877   0.876
   88   2HD1  LEU  10          2HD1      LEU  10  -2.763 -10.595   0.254
   89   3HD1  LEU  10          3HD1      LEU  10  -4.025  -9.360   0.025
   90   1HD2  LEU  10          3HD2      LEU  10  -4.518 -13.150  -1.768
   91   2HD2  LEU  10          1HD2      LEU  10  -2.855 -12.565  -2.019
   92   3HD2  LEU  10          2HD2      LEU  10  -3.449 -12.884  -0.371
   93    H    ASP  11           H        ASP  11  -7.503 -11.996  -4.242
   94    HA   ASP  11           HA       ASP  11 -10.023 -10.684  -3.580
   95   1HB   ASP  11          1HB       ASP  11  -8.882 -11.003  -6.094
   96   2HB   ASP  11          2HB       ASP  11  -9.925 -12.408  -6.005
   97    H    VAL  12           H        VAL  12 -10.840 -12.061  -1.950
   98    HA   VAL  12           HA       VAL  12 -10.486 -14.924  -2.251
   99    HB   VAL  12           HB       VAL  12 -11.650 -13.191  -0.065
  100   1HG1  VAL  12          1HG1      VAL  12 -11.293 -16.196  -0.222
  101   2HG1  VAL  12          2HG1      VAL  12 -11.510 -15.313   1.307
  102   3HG1  VAL  12          3HG1      VAL  12 -12.790 -15.282   0.071
  103   1HG2  VAL  12          2HG2      VAL  12  -8.950 -14.160  -0.708
  104   2HG2  VAL  12          3HG2      VAL  12  -9.471 -12.836   0.362
  105   3HG2  VAL  12          1HG2      VAL  12  -9.461 -14.513   0.960
  106    H    LYS  13           H        LYS  13 -12.331 -16.413  -2.146
  107    HA   LYS  13           HA       LYS  13 -14.732 -15.170  -3.296
  108   1HB   LYS  13          1HB       LYS  13 -13.253 -16.737  -4.732
  109   2HB   LYS  13          2HB       LYS  13 -13.895 -18.033  -3.745
  110   1HG   LYS  13          1HG       LYS  13 -15.890 -16.080  -4.853
  111   2HG   LYS  13          2HG       LYS  13 -15.122 -17.151  -6.007
  112   1HD   LYS  13          1HD       LYS  13 -15.878 -19.130  -4.805
  113   2HD   LYS  13          2HD       LYS  13 -16.410 -18.171  -3.438
  114   1HE   LYS  13          1HE       LYS  13 -18.345 -18.823  -4.831
  115   2HE   LYS  13          2HE       LYS  13 -18.147 -17.082  -4.845
  116   1HZ   LYS  13          1HZ       LYS  13 -16.652 -18.310  -6.902
  117   2HZ   LYS  13          2HZ       LYS  13 -18.233 -18.704  -7.014
  118   3HZ   LYS  13          3HZ       LYS  13 -17.781 -17.134  -7.006
  119    HA   PRO  14           HA       PRO  14 -16.634 -16.647   0.318
  120   1HB   PRO  14          1HB       PRO  14 -19.187 -15.845  -0.238
  121   2HB   PRO  14          2HB       PRO  14 -17.978 -14.784   0.457
  122   1HG   PRO  14          1HG       PRO  14 -19.011 -14.855  -2.313
  123   2HG   PRO  14          2HG       PRO  14 -18.145 -13.568  -1.496
  124   1HD   PRO  14          1HD       PRO  14 -17.077 -15.396  -3.431
  125   2HD   PRO  14          2HD       PRO  14 -16.186 -14.186  -2.529
  126    H    TRP  15           H        TRP  15 -17.421 -18.543   1.075
  127    HA   TRP  15           HA       TRP  15 -17.622 -20.665  -0.594
  128   1HB   TRP  15          1HB       TRP  15 -18.299 -20.059   2.150
  129   2HB   TRP  15          2HB       TRP  15 -19.469 -21.167   1.461
  130    HD1  TRP  15           HD       TRP  15 -16.810 -21.698   3.579
  131    HE1  TRP  15          1HE       TRP  15 -15.318 -23.837   3.173
  132    HE3  TRP  15          3HE       TRP  15 -18.260 -22.439  -1.238
  133    HZ2  TRP  15          2HZ       TRP  15 -14.922 -25.559   0.932
  134    HZ3  TRP  15          3HZ       TRP  15 -17.273 -24.372  -2.464
  135    HH2  TRP  15           HH       TRP  15 -15.658 -25.903  -1.455
  136    H    ASP  16           H        ASP  16 -20.128 -18.246   0.302
  137    HA   ASP  16           HA       ASP  16 -21.485 -18.589  -2.074
  138   1HB   ASP  16          1HB       ASP  16 -22.108 -20.637  -0.251
  139   2HB   ASP  16          2HB       ASP  16 -23.413 -19.490  -0.024
  140    H    ASP  17           H        ASP  17 -23.942 -17.568  -1.652
  141    HA   ASP  17           HA       ASP  17 -23.584 -15.025  -0.861
  142   1HB   ASP  17          1HB       ASP  17 -25.578 -15.397  -2.023
  143   2HB   ASP  17          2HB       ASP  17 -25.968 -16.839  -1.107
  144    H    GLU  18           H        GLU  18 -24.036 -17.924   1.087
  145    HA   GLU  18           HA       GLU  18 -25.098 -16.715   3.366
  146   1HB   GLU  18          1HB       GLU  18 -24.530 -18.806   4.493
  147   2HB   GLU  18          2HB       GLU  18 -25.154 -19.166   2.896
  148   1HG   GLU  18          1HG       GLU  18 -22.687 -19.198   2.097
  149   2HG   GLU  18          2HG       GLU  18 -22.243 -19.186   3.792
  150    H    THR  19           H        THR  19 -21.752 -17.298   2.188
  151    HA   THR  19           HA       THR  19 -20.418 -16.621   4.555
  152    HB   THR  19           HB       THR  19 -19.746 -16.650   1.583
  153    HG1  THR  19          1HG       THR  19 -19.912 -18.660   2.770
  154   1HG2  THR  19          2HG2      THR  19 -18.355 -14.932   3.129
  155   2HG2  THR  19          3HG2      THR  19 -17.606 -16.440   3.706
  156   3HG2  THR  19          1HG2      THR  19 -17.525 -16.009   1.981
  157    H    ASP  20           H        ASP  20 -20.879 -14.826   5.699
  158    HA   ASP  20           HA       ASP  20 -21.906 -12.532   4.757
  159   1HB   ASP  20          1HB       ASP  20 -20.615 -13.447   7.162
  160   2HB   ASP  20          2HB       ASP  20 -19.947 -11.871   6.789
  161    H    MET  21           H        MET  21 -20.975 -10.452   4.087
  162    HA   MET  21           HA       MET  21 -18.265 -10.760   3.059
  163   1HB   MET  21          1HB       MET  21 -20.245  -8.609   2.201
  164   2HB   MET  21          2HB       MET  21 -18.914  -9.278   1.279
  165   1HG   MET  21          1HG       MET  21 -21.382 -10.890   2.086
  166   2HG   MET  21          2HG       MET  21 -21.220 -10.076   0.543
  167   1HE   MET  21          2HE       MET  21 -18.838 -10.118  -0.539
  168   2HE   MET  21          3HE       MET  21 -18.027 -11.654  -0.925
  169   3HE   MET  21          1HE       MET  21 -19.645 -11.313  -1.582
  170    H    ALA  22           H        ALA  22 -20.091  -9.285   5.525
  171    HA   ALA  22           HA       ALA  22 -18.586  -6.824   5.593
  172   1HB   ALA  22          2HB       ALA  22 -21.078  -7.319   6.299
  173   2HB   ALA  22          3HB       ALA  22 -20.334  -7.851   7.824
  174   3HB   ALA  22          1HB       ALA  22 -20.094  -6.183   7.252
  175    H    LYS  23           H        LYS  23 -18.994  -9.737   7.736
  176    HA   LYS  23           HA       LYS  23 -16.891  -9.038   9.438
  177   1HB   LYS  23          1HB       LYS  23 -18.481 -11.518   8.885
  178   2HB   LYS  23          2HB       LYS  23 -17.027 -11.652   9.854
  179   1HG   LYS  23          1HG       LYS  23 -18.479  -9.332  10.770
  180   2HG   LYS  23          2HG       LYS  23 -19.618 -10.657  10.646
  181   1HD   LYS  23          1HD       LYS  23 -18.331 -12.050  12.131
  182   2HD   LYS  23          2HD       LYS  23 -16.920 -11.018  12.008
  183   1HE   LYS  23          1HE       LYS  23 -17.766  -9.430  13.486
  184   2HE   LYS  23          2HE       LYS  23 -19.431  -9.720  13.021
  185   1HZ   LYS  23          2HZ       LYS  23 -18.316 -12.016  14.201
  186   2HZ   LYS  23          3HZ       LYS  23 -18.149 -10.734  15.200
  187   3HZ   LYS  23          1HZ       LYS  23 -19.630 -11.160  14.658
  188    H    LEU  24           H        LEU  24 -17.047 -11.086   6.471
  189    HA   LEU  24           HA       LEU  24 -14.442 -12.025   6.578
  190   1HB   LEU  24          1HB       LEU  24 -16.627 -12.298   4.932
  191   2HB   LEU  24          2HB       LEU  24 -15.485 -11.462   3.898
  192    HG   LEU  24           HG       LEU  24 -14.735 -13.969   5.409
  193   1HD1  LEU  24          2HD1      LEU  24 -16.255 -13.679   2.842
  194   2HD1  LEU  24          3HD1      LEU  24 -15.100 -15.020   3.037
  195   3HD1  LEU  24          1HD1      LEU  24 -16.463 -14.847   4.170
  196   1HD2  LEU  24          2HD2      LEU  24 -13.093 -12.235   4.228
  197   2HD2  LEU  24          3HD2      LEU  24 -12.806 -13.992   4.205
  198   3HD2  LEU  24          1HD2      LEU  24 -13.538 -13.191   2.795
  199    H    GLU  25           H        GLU  25 -15.813  -8.962   5.272
  200    HA   GLU  25           HA       GLU  25 -13.304  -8.146   4.250
  201   1HB   GLU  25          1HB       GLU  25 -15.462  -7.378   3.291
  202   2HB   GLU  25          2HB       GLU  25 -15.854  -6.558   4.789
  203   1HG   GLU  25          1HG       GLU  25 -13.514  -5.350   4.418
  204   2HG   GLU  25          2HG       GLU  25 -13.721  -5.862   2.754
  205    H    GLU  26           H        GLU  26 -15.380  -7.032   7.027
  206    HA   GLU  26           HA       GLU  26 -13.578  -5.231   8.026
  207   1HB   GLU  26          1HB       GLU  26 -15.006  -5.082   9.863
  208   2HB   GLU  26          2HB       GLU  26 -16.074  -5.791   8.669
  209   1HG   GLU  26          1HG       GLU  26 -16.450  -7.259  10.431
  210   2HG   GLU  26          2HG       GLU  26 -15.128  -8.095   9.641
  211    H    CYS  27           H        CYS  27 -13.775  -8.779   8.401
  212    HA   CYS  27           HA       CYS  27 -11.993  -8.963  10.554
  213   1HB   CYS  27          1HB       CYS  27 -13.487 -10.794  10.013
  214   2HB   CYS  27          2HB       CYS  27 -12.769 -10.981   8.425
  215    HG   CYS  27           HG       CYS  27 -10.434 -10.840  10.504
  216    H    VAL  28           H        VAL  28 -11.612  -9.346   6.955
  217    HA   VAL  28           HA       VAL  28  -8.944  -9.890   6.857
  218    HB   VAL  28           HB       VAL  28 -10.900  -8.514   5.074
  219   1HG1  VAL  28          1HG1      VAL  28  -7.949  -8.248   4.888
  220   2HG1  VAL  28          2HG1      VAL  28  -8.791  -8.701   3.386
  221   3HG1  VAL  28          3HG1      VAL  28  -9.242  -7.207   4.244
  222   1HG2  VAL  28          1HG2      VAL  28  -9.747 -11.152   5.403
  223   2HG2  VAL  28          2HG2      VAL  28 -11.143 -10.637   4.427
  224   3HG2  VAL  28          3HG2      VAL  28  -9.502 -10.559   3.742
  225    H    ARG  29           H        ARG  29 -10.591  -6.730   7.322
  226    HA   ARG  29           HA       ARG  29  -8.177  -5.292   7.132
  227   1HB   ARG  29          1HB       ARG  29 -10.758  -4.558   6.911
  228   2HB   ARG  29          2HB       ARG  29 -10.580  -4.216   8.620
  229   1HG   ARG  29          1HG       ARG  29  -8.280  -3.059   7.622
  230   2HG   ARG  29          2HG       ARG  29  -9.374  -2.826   6.274
  231   1HD   ARG  29          1HD       ARG  29 -10.072  -0.970   7.418
  232   2HD   ARG  29          2HD       ARG  29 -11.004  -2.098   8.382
  233    HE   ARG  29           HE       ARG  29  -8.555  -2.149   9.638
  234   1HH1  ARG  29          2HH2      ARG  29 -10.683   0.476   8.655
  235   2HH1  ARG  29          1HH2      ARG  29 -10.173   1.535   9.927
  236   1HH2  ARG  29          2HH1      ARG  29  -7.882  -0.752  11.316
  237   2HH2  ARG  29          1HH1      ARG  29  -8.570   0.833  11.450
  238    H    SER  30           H        SER  30 -10.328  -6.396   9.837
  239    HA   SER  30           HA       SER  30  -9.139  -5.225  11.928
  240   1HB   SER  30          1HB       SER  30 -10.194  -6.833  13.270
  241   2HB   SER  30          2HB       SER  30 -11.126  -6.920  11.789
  242    HG   SER  30           HG       SER  30 -10.624  -9.045  12.375
  243    H    ILE  31           H        ILE  31  -8.061  -8.184  10.165
  244    HA   ILE  31           HA       ILE  31  -6.141  -9.170  11.746
  245    HB   ILE  31           HB       ILE  31  -6.232  -8.763   8.772
  246   1HG1  ILE  31          1HG1      ILE  31  -6.514 -11.244  10.492
  247   2HG1  ILE  31          2HG1      ILE  31  -7.855 -10.299   9.873
  248   1HG2  ILE  31          2HG2      ILE  31  -3.933  -9.605  10.403
  249   2HG2  ILE  31          3HG2      ILE  31  -4.374 -10.740   9.104
  250   3HG2  ILE  31          1HG2      ILE  31  -4.009  -9.041   8.717
  251   1HD1  ILE  31          3HD1      ILE  31  -6.425 -10.684   7.560
  252   2HD1  ILE  31          1HD1      ILE  31  -6.042 -12.180   8.446
  253   3HD1  ILE  31          2HD1      ILE  31  -7.737 -11.755   8.108
  254    H    GLN  32           H        GLN  32  -4.367  -8.436  12.786
  255    HA   GLN  32           HA       GLN  32  -3.282  -5.916  11.798
  256   1HB   GLN  32          1HB       GLN  32  -4.338  -5.931  14.112
  257   2HB   GLN  32          2HB       GLN  32  -3.082  -7.039  14.625
  258   1HG   GLN  32          1HG       GLN  32  -1.854  -5.187  15.122
  259   2HG   GLN  32          2HG       GLN  32  -1.601  -5.029  13.395
  260   1HE2  GLN  32          2HE2      GLN  32  -2.952  -1.844  13.474
  261   2HE2  GLN  32          1HE2      GLN  32  -1.645  -2.911  13.084
  262    H    ALA  33           H        ALA  33  -1.057  -5.745  11.393
  263    HA   ALA  33           HA       ALA  33   0.684  -7.888  12.231
  264   1HB   ALA  33          2HB       ALA  33  -0.504  -8.589  10.047
  265   2HB   ALA  33          3HB       ALA  33   0.449  -7.304   9.266
  266   3HB   ALA  33          1HB       ALA  33   1.275  -8.660  10.070
  267    H    ASP  34           H        ASP  34   3.000  -7.350  11.662
  268    HA   ASP  34           HA       ASP  34   3.437  -4.656  12.257
  269   1HB   ASP  34          1HB       ASP  34   4.902  -6.796  12.702
  270   2HB   ASP  34          2HB       ASP  34   5.523  -6.533  11.084
  271    H    GLY  35           H        GLY  35   4.651  -3.075  10.868
  272   1HA   GLY  35          1HA       GLY  35   4.697  -1.876   8.946
  273   2HA   GLY  35          2HA       GLY  35   5.531  -3.293   8.340
  274    H    LEU  36           H        LEU  36   2.120  -3.378   9.412
  275    HA   LEU  36           HA       LEU  36   1.386  -3.893   6.620
  276   1HB   LEU  36          1HB       LEU  36   1.082  -5.759   8.170
  277   2HB   LEU  36          2HB       LEU  36   0.066  -4.765   9.194
  278    HG   LEU  36           HG       LEU  36  -1.156  -4.585   6.696
  279   1HD1  LEU  36          2HD1      LEU  36   0.490  -6.897   6.651
  280   2HD1  LEU  36          3HD1      LEU  36  -1.197  -7.443   6.807
  281   3HD1  LEU  36          1HD1      LEU  36  -0.727  -6.375   5.462
  282   1HD2  LEU  36          1HD2      LEU  36  -2.257  -4.737   8.886
  283   2HD2  LEU  36          2HD2      LEU  36  -2.936  -5.895   7.717
  284   3HD2  LEU  36          3HD2      LEU  36  -1.819  -6.460   8.984
  285    H    VAL  37           H        VAL  37  -0.051  -2.571   5.587
  286    HA   VAL  37           HA       VAL  37  -1.407  -0.578   7.264
  287    HB   VAL  37           HB       VAL  37   0.045  -0.179   4.643
  288   1HG1  VAL  37          2HG1      VAL  37  -2.194   1.014   4.821
  289   2HG1  VAL  37          3HG1      VAL  37  -1.494   1.933   6.175
  290   3HG1  VAL  37          1HG1      VAL  37  -0.773   2.050   4.552
  291   1HG2  VAL  37          2HG2      VAL  37   0.489   0.906   7.442
  292   2HG2  VAL  37          3HG2      VAL  37   1.569  -0.149   6.500
  293   3HG2  VAL  37          1HG2      VAL  37   1.300   1.535   5.989
  294    H    TRP  38           H        TRP  38  -3.533  -1.106   7.203
  295    HA   TRP  38           HA       TRP  38  -4.591  -2.517   4.935
  296   1HB   TRP  38          1HB       TRP  38  -5.572  -1.699   7.631
  297   2HB   TRP  38          2HB       TRP  38  -6.758  -2.034   6.385
  298    HD1  TRP  38           HD       TRP  38  -5.399  -3.841   9.109
  299    HE1  TRP  38          1HE       TRP  38  -5.220  -6.455   8.796
  300    HE3  TRP  38          3HE       TRP  38  -5.843  -3.793   4.043
  301    HZ2  TRP  38          2HZ       TRP  38  -5.281  -8.171   6.516
  302    HZ3  TRP  38          3HZ       TRP  38  -5.772  -5.980   2.850
  303    HH2  TRP  38           HH       TRP  38  -5.503  -8.119   4.004
  304    H    GLY  39           H        GLY  39  -4.856  -1.321   3.077
  305   1HA   GLY  39          1HA       GLY  39  -5.248   1.478   3.057
  306   2HA   GLY  39          2HA       GLY  39  -5.430   0.372   1.710
  307    H    SER  40           H        SER  40  -7.487  -0.399   1.106
  308    HA   SER  40           HA       SER  40  -9.686   0.072   2.863
  309   1HB   SER  40          1HB       SER  40  -9.183   1.777   0.434
  310   2HB   SER  40          2HB       SER  40 -10.837   1.308   0.767
  311    HG   SER  40           HG       SER  40 -10.479   2.164   2.996
  312    H    SER  41           H        SER  41 -11.246  -1.506   2.508
  313    HA   SER  41           HA       SER  41 -10.701  -3.295   0.325
  314   1HB   SER  41          1HB       SER  41 -12.376  -4.766   1.467
  315   2HB   SER  41          2HB       SER  41 -11.053  -4.295   2.516
  316    HG   SER  41           HG       SER  41 -12.562  -3.587   3.851
  317    H    LYS  42           H        LYS  42 -12.535  -4.113  -1.062
  318    HA   LYS  42           HA       LYS  42 -14.774  -2.254  -1.238
  319   1HB   LYS  42          1HB       LYS  42 -14.410  -2.273  -3.783
  320   2HB   LYS  42          2HB       LYS  42 -13.408  -1.215  -2.810
  321   1HG   LYS  42          1HG       LYS  42 -12.054  -3.733  -2.886
  322   2HG   LYS  42          2HG       LYS  42 -12.600  -3.427  -4.523
  323   1HD   LYS  42          1HD       LYS  42 -11.544  -0.963  -3.391
  324   2HD   LYS  42          2HD       LYS  42 -10.370  -2.246  -3.173
  325   1HE   LYS  42          1HE       LYS  42 -10.330  -2.741  -5.552
  326   2HE   LYS  42          2HE       LYS  42 -11.735  -1.740  -5.853
  327   1HZ   LYS  42          3HZ       LYS  42 -10.299   0.113  -4.918
  328   2HZ   LYS  42          1HZ       LYS  42  -9.031  -0.886  -5.163
  329   3HZ   LYS  42          2HZ       LYS  42  -9.959  -0.420  -6.424
  330    H    LEU  43           H        LEU  43 -16.420  -3.175  -2.936
  331    HA   LEU  43           HA       LEU  43 -16.354  -6.103  -2.766
  332   1HB   LEU  43          1HB       LEU  43 -18.358  -4.192  -1.747
  333   2HB   LEU  43          2HB       LEU  43 -19.008  -5.545  -2.651
  334    HG   LEU  43           HG       LEU  43 -19.023  -6.100  -0.324
  335   1HD1  LEU  43          2HD1      LEU  43 -18.263  -7.810  -2.104
  336   2HD1  LEU  43          3HD1      LEU  43 -16.655  -7.643  -1.360
  337   3HD1  LEU  43          1HD1      LEU  43 -18.032  -8.204  -0.384
  338   1HD2  LEU  43          3HD2      LEU  43 -16.843  -4.478  -0.064
  339   2HD2  LEU  43          1HD2      LEU  43 -17.448  -5.589   1.188
  340   3HD2  LEU  43          2HD2      LEU  43 -16.113  -6.090   0.123
  341    H    VAL  44           H        VAL  44 -17.785  -7.155  -4.432
  342    HA   VAL  44           HA       VAL  44 -18.514  -5.498  -6.669
  343    HB   VAL  44           HB       VAL  44 -16.252  -7.497  -6.841
  344   1HG1  VAL  44          1HG1      VAL  44 -17.939  -7.620  -8.735
  345   2HG1  VAL  44          2HG1      VAL  44 -17.471  -5.953  -9.145
  346   3HG1  VAL  44          3HG1      VAL  44 -16.262  -7.258  -9.209
  347   1HG2  VAL  44          2HG2      VAL  44 -16.408  -4.501  -7.277
  348   2HG2  VAL  44          3HG2      VAL  44 -15.434  -5.385  -6.078
  349   3HG2  VAL  44          1HG2      VAL  44 -15.037  -5.504  -7.809
  350    HA   PRO  45           HA       PRO  45 -21.349  -8.825  -6.442
  351   1HB   PRO  45          1HB       PRO  45 -23.285  -7.715  -8.020
  352   2HB   PRO  45          2HB       PRO  45 -23.161  -7.411  -6.298
  353   1HG   PRO  45          1HG       PRO  45 -22.436  -5.641  -8.552
  354   2HG   PRO  45          2HG       PRO  45 -22.720  -5.221  -6.875
  355   1HD   PRO  45          1HD       PRO  45 -20.176  -5.446  -8.179
  356   2HD   PRO  45          2HD       PRO  45 -20.458  -5.141  -6.476
  357    H    VAL  46           H        VAL  46 -21.739 -10.698  -7.544
  358    HA   VAL  46           HA       VAL  46 -20.413 -10.736 -10.128
  359    HB   VAL  46           HB       VAL  46 -19.932 -12.382  -8.307
  360   1HG1  VAL  46          3HG1      VAL  46 -22.784 -13.217  -8.897
  361   2HG1  VAL  46          1HG1      VAL  46 -21.596 -14.301  -8.134
  362   3HG1  VAL  46          2HG1      VAL  46 -22.059 -12.783  -7.329
  363   1HG2  VAL  46          3HG2      VAL  46 -20.283 -12.801 -11.105
  364   2HG2  VAL  46          1HG2      VAL  46 -19.162 -13.621  -9.991
  365   3HG2  VAL  46          2HG2      VAL  46 -20.791 -14.287 -10.265
  366    H    GLY  47           H        GLY  47 -23.618 -10.751  -8.653
  367   1HA   GLY  47          1HA       GLY  47 -25.000 -10.112 -10.932
  368   2HA   GLY  47          2HA       GLY  47 -24.992 -11.864 -10.903
  369    H    TYR  48           H        TYR  48 -25.707  -8.971  -8.846
  370    HA   TYR  48           HA       TYR  48 -27.012  -8.777  -7.025
  371   1HB   TYR  48          1HB       TYR  48 -28.593 -10.179  -9.245
  372   2HB   TYR  48          2HB       TYR  48 -29.412  -9.748  -7.757
  373    HD1  TYR  48          1HD       TYR  48 -27.591  -8.364 -10.682
  374    HD2  TYR  48          2HD       TYR  48 -30.091  -7.497  -7.320
  375    HE1  TYR  48          1HE       TYR  48 -27.985  -6.015 -11.572
  376    HE2  TYR  48          2HE       TYR  48 -30.477  -5.151  -8.222
  377    HH   TYR  48           HH       TYR  48 -28.887  -4.087 -11.217
  378    H    GLY  49           H        GLY  49 -25.905 -10.146  -5.499
  379   1HA   GLY  49          1HA       GLY  49 -27.329 -11.884  -4.050
  380   2HA   GLY  49          2HA       GLY  49 -26.717 -12.930  -5.315
  381    H    ILE  50           H        ILE  50 -24.349 -13.116  -5.632
  382    HA   ILE  50           HA       ILE  50 -22.997 -12.835  -3.072
  383    HB   ILE  50           HB       ILE  50 -22.550 -14.457  -5.555
  384   1HG1  ILE  50          1HG1      ILE  50 -22.248 -15.843  -3.055
  385   2HG1  ILE  50          2HG1      ILE  50 -23.729 -14.907  -3.006
  386   1HG2  ILE  50          1HG2      ILE  50 -20.535 -14.004  -3.337
  387   2HG2  ILE  50          2HG2      ILE  50 -20.426 -15.262  -4.591
  388   3HG2  ILE  50          3HG2      ILE  50 -20.365 -13.544  -5.049
  389   1HD1  ILE  50          1HD1      ILE  50 -23.990 -15.902  -5.507
  390   2HD1  ILE  50          2HD1      ILE  50 -22.973 -17.184  -4.807
  391   3HD1  ILE  50          3HD1      ILE  50 -24.545 -16.793  -4.069
  392    H    LYS  51           H        LYS  51 -20.670 -12.086  -3.094
  393    HA   LYS  51           HA       LYS  51 -20.176 -10.148  -5.224
  394   1HB   LYS  51          1HB       LYS  51 -20.073  -9.489  -2.265
  395   2HB   LYS  51          2HB       LYS  51 -19.568  -8.431  -3.567
  396   1HG   LYS  51          1HG       LYS  51 -21.704  -7.673  -3.670
  397   2HG   LYS  51          2HG       LYS  51 -22.159  -9.231  -4.330
  398   1HD   LYS  51          1HD       LYS  51 -23.143  -9.918  -2.376
  399   2HD   LYS  51          2HD       LYS  51 -21.856  -9.266  -1.382
  400   1HE   LYS  51          1HE       LYS  51 -24.063  -8.109  -1.018
  401   2HE   LYS  51          2HE       LYS  51 -22.788  -7.012  -1.511
  402   1HZ   LYS  51          2HZ       LYS  51 -24.559  -8.235  -3.490
  403   2HZ   LYS  51          3HZ       LYS  51 -24.994  -6.875  -2.700
  404   3HZ   LYS  51          1HZ       LYS  51 -23.655  -6.883  -3.635
  405    H    LYS  52           H        LYS  52 -17.821  -9.284  -4.994
  406    HA   LYS  52           HA       LYS  52 -16.177 -11.638  -4.492
  407   1HB   LYS  52          1HB       LYS  52 -16.223  -9.559  -6.473
  408   2HB   LYS  52          2HB       LYS  52 -14.682  -9.503  -5.641
  409   1HG   LYS  52          1HG       LYS  52 -14.369 -11.949  -6.035
  410   2HG   LYS  52          2HG       LYS  52 -15.921 -12.024  -6.846
  411   1HD   LYS  52          1HD       LYS  52 -14.594  -9.914  -8.156
  412   2HD   LYS  52          2HD       LYS  52 -13.322 -11.085  -7.873
  413   1HE   LYS  52          1HE       LYS  52 -14.647 -12.859  -8.969
  414   2HE   LYS  52          2HE       LYS  52 -16.012 -11.775  -9.148
  415   1HZ   LYS  52          3HZ       LYS  52 -13.546 -10.791 -10.228
  416   2HZ   LYS  52          1HZ       LYS  52 -14.138 -12.112 -10.984
  417   3HZ   LYS  52          2HZ       LYS  52 -15.049 -10.760 -10.866
  418    H    LEU  53           H        LEU  53 -14.744 -11.785  -2.826
  419    HA   LEU  53           HA       LEU  53 -14.749  -9.572  -0.952
  420   1HB   LEU  53          1HB       LEU  53 -14.707 -12.385  -0.768
  421   2HB   LEU  53          2HB       LEU  53 -13.156 -11.837  -0.162
  422    HG   LEU  53           HG       LEU  53 -15.098 -12.133   1.497
  423   1HD1  LEU  53          2HD1      LEU  53 -13.348  -9.677   1.370
  424   2HD1  LEU  53          3HD1      LEU  53 -14.378 -10.048   2.773
  425   3HD1  LEU  53          1HD1      LEU  53 -13.096 -11.183   2.285
  426   1HD2  LEU  53          2HD2      LEU  53 -16.413 -10.424  -0.233
  427   2HD2  LEU  53          3HD2      LEU  53 -16.914 -10.844   1.423
  428   3HD2  LEU  53          1HD2      LEU  53 -15.963  -9.368   1.128
  429    H    GLN  54           H        GLN  54 -13.543  -8.110  -2.405
  430    HA   GLN  54           HA       GLN  54 -10.748  -8.887  -2.628
  431   1HB   GLN  54          1HB       GLN  54 -11.490  -8.268  -4.776
  432   2HB   GLN  54          2HB       GLN  54 -12.520  -6.987  -4.170
  433   1HG   GLN  54          1HG       GLN  54 -10.755  -5.472  -3.941
  434   2HG   GLN  54          2HG       GLN  54  -9.566  -6.727  -3.656
  435   1HE2  GLN  54          2HE2      GLN  54  -9.052  -7.551  -7.101
  436   2HE2  GLN  54          1HE2      GLN  54  -9.160  -8.229  -5.511
  437    H    ILE  55           H        ILE  55  -9.072  -7.483  -1.847
  438    HA   ILE  55           HA       ILE  55  -9.886  -5.088  -0.447
  439    HB   ILE  55           HB       ILE  55  -9.604  -5.755   1.654
  440   1HG1  ILE  55          1HG1      ILE  55  -7.175  -6.041   1.349
  441   2HG1  ILE  55          2HG1      ILE  55  -7.851  -7.190   2.486
  442   1HG2  ILE  55          2HG2      ILE  55  -9.911  -8.487   0.378
  443   2HG2  ILE  55          3HG2      ILE  55 -10.198  -8.104   2.092
  444   3HG2  ILE  55          1HG2      ILE  55 -11.220  -7.370   0.833
  445   1HD1  ILE  55          2HD1      ILE  55  -7.915  -8.223  -0.269
  446   2HD1  ILE  55          3HD1      ILE  55  -6.267  -7.814   0.265
  447   3HD1  ILE  55          1HD1      ILE  55  -7.246  -8.966   1.205
  448    H    GLN  56           H        GLN  56  -8.016  -3.731   0.124
  449    HA   GLN  56           HA       GLN  56  -5.647  -4.556  -1.364
  450   1HB   GLN  56          1HB       GLN  56  -6.956  -2.817  -2.596
  451   2HB   GLN  56          2HB       GLN  56  -6.821  -1.744  -1.217
  452   1HG   GLN  56          1HG       GLN  56  -4.827  -1.017  -2.008
  453   2HG   GLN  56          2HG       GLN  56  -4.165  -2.621  -1.760
  454   1HE2  GLN  56          1HE2      GLN  56  -6.277  -0.843  -4.010
  455   2HE2  GLN  56          2HE2      GLN  56  -5.660  -1.524  -5.477
  456    H    CYS  57           H        CYS  57  -3.605  -3.957  -0.452
  457    HA   CYS  57           HA       CYS  57  -3.685  -2.493   2.045
  458   1HB   CYS  57          1HB       CYS  57  -2.097  -4.393   2.967
  459   2HB   CYS  57          2HB       CYS  57  -3.837  -4.500   3.141
  460    HG   CYS  57           HG       CYS  57  -3.101  -6.852   2.486
  461    H    VAL  58           H        VAL  58  -1.364  -1.941   2.726
  462    HA   VAL  58           HA       VAL  58   0.379  -1.914   0.359
  463    HB   VAL  58           HB       VAL  58   0.223   0.218   2.489
  464   1HG1  VAL  58          3HG1      VAL  58   1.893  -0.274   0.136
  465   2HG1  VAL  58          1HG1      VAL  58   1.126   1.332   0.115
  466   3HG1  VAL  58          2HG1      VAL  58   2.134   0.845   1.499
  467   1HG2  VAL  58          2HG2      VAL  58  -1.957  -0.004   1.295
  468   2HG2  VAL  58          3HG2      VAL  58  -1.143   1.553   1.009
  469   3HG2  VAL  58          1HG2      VAL  58  -1.103   0.285  -0.240
  470    H    VAL  59           H        VAL  59   1.174  -4.009   1.245
  471    HA   VAL  59           HA       VAL  59   2.550  -3.849   3.778
  472    HB   VAL  59           HB       VAL  59   2.790  -6.146   3.608
  473   1HG1  VAL  59          1HG1      VAL  59   0.423  -5.457   3.785
  474   2HG1  VAL  59          2HG1      VAL  59   0.274  -5.552   2.014
  475   3HG1  VAL  59          3HG1      VAL  59   0.607  -7.023   2.959
  476   1HG2  VAL  59          2HG2      VAL  59   2.416  -5.900   0.604
  477   2HG2  VAL  59          3HG2      VAL  59   3.932  -6.265   1.464
  478   3HG2  VAL  59          1HG2      VAL  59   2.586  -7.431   1.495
  479    H    GLU  60           H        GLU  60   4.900  -4.954   3.684
  480    HA   GLU  60           HA       GLU  60   6.383  -3.165   2.007
  481   1HB   GLU  60          1HB       GLU  60   6.825  -4.642   4.497
  482   2HB   GLU  60          2HB       GLU  60   8.187  -4.823   3.410
  483   1HG   GLU  60          1HG       GLU  60   6.962  -2.090   3.948
  484   2HG   GLU  60          2HG       GLU  60   8.164  -2.771   5.028
  485    H    ASP  61           H        ASP  61   8.274  -3.954   0.693
  486    HA   ASP  61           HA       ASP  61   7.429  -6.289  -0.751
  487   1HB   ASP  61          1HB       ASP  61   8.390  -3.930  -1.619
  488   2HB   ASP  61          2HB       ASP  61   9.933  -4.735  -1.410
  489    H    ASP  62           H        ASP  62   9.225  -5.706   1.989
  490    HA   ASP  62           HA       ASP  62  10.863  -8.040   1.482
  491   1HB   ASP  62          1HB       ASP  62  12.029  -5.590   1.386
  492   2HB   ASP  62          2HB       ASP  62  12.060  -5.819   3.123
  493    H    LYS  63           H        LYS  63   8.301  -7.301   2.976
  494    HA   LYS  63           HA       LYS  63   9.192  -8.190   5.621
  495   1HB   LYS  63          1HB       LYS  63   8.425  -5.622   5.219
  496   2HB   LYS  63          2HB       LYS  63   6.862  -6.349   5.532
  497   1HG   LYS  63          1HG       LYS  63   7.448  -6.006   7.730
  498   2HG   LYS  63          2HG       LYS  63   8.281  -7.535   7.530
  499   1HD   LYS  63          1HD       LYS  63  10.059  -5.526   6.538
  500   2HD   LYS  63          2HD       LYS  63   9.404  -4.897   8.036
  501   1HE   LYS  63          1HE       LYS  63   9.933  -7.308   8.992
  502   2HE   LYS  63          2HE       LYS  63  10.980  -7.453   7.594
  503   1HZ   LYS  63          1HZ       LYS  63  11.600  -5.031   8.562
  504   2HZ   LYS  63          2HZ       LYS  63  11.318  -5.871   9.933
  505   3HZ   LYS  63          3HZ       LYS  63  12.435  -6.400   8.868
  506    H    VAL  64           H        VAL  64   5.986  -7.397   4.131
  507    HA   VAL  64           HA       VAL  64   5.052 -10.006   4.953
  508    HB   VAL  64           HB       VAL  64   3.442  -8.008   3.411
  509   1HG1  VAL  64          3HG1      VAL  64   2.971 -10.266   5.280
  510   2HG1  VAL  64          1HG1      VAL  64   1.889  -8.863   5.458
  511   3HG1  VAL  64          2HG1      VAL  64   2.011  -9.702   3.891
  512   1HG2  VAL  64          2HG2      VAL  64   4.463  -7.687   6.232
  513   2HG2  VAL  64          3HG2      VAL  64   4.399  -6.492   4.913
  514   3HG2  VAL  64          1HG2      VAL  64   2.901  -6.994   5.733
  515    H    GLY  65           H        GLY  65   4.120 -11.570   3.494
  516   1HA   GLY  65          1HA       GLY  65   4.806 -11.188   0.656
  517   2HA   GLY  65          2HA       GLY  65   5.409 -12.589   1.517
  518    H    THR  66           H        THR  66   2.373 -11.513   2.768
  519    HA   THR  66           HA       THR  66   0.298 -12.305   2.648
  520    HB   THR  66           HB       THR  66   0.935 -13.262  -0.181
  521    HG1  THR  66          1HG       THR  66   1.734 -11.060   0.226
  522   1HG2  THR  66          1HG2      THR  66  -1.517 -12.212   1.299
  523   2HG2  THR  66          2HG2      THR  66  -1.402 -12.127  -0.475
  524   3HG2  THR  66          3HG2      THR  66  -1.367 -13.706   0.344
  525    H    ASP  67           H        ASP  67   2.323 -13.873   3.871
  526    HA   ASP  67           HA       ASP  67   1.568 -16.553   3.050
  527   1HB   ASP  67          1HB       ASP  67   3.431 -17.153   4.772
  528   2HB   ASP  67          2HB       ASP  67   3.918 -16.454   3.242
  529    H    MET  68           H        MET  68   2.159 -14.547   6.045
  530    HA   MET  68           HA       MET  68   0.746 -16.336   7.692
  531   1HB   MET  68          1HB       MET  68   2.519 -14.216   8.037
  532   2HB   MET  68          2HB       MET  68   1.014 -13.478   8.547
  533   1HG   MET  68          1HG       MET  68   1.001 -16.045   9.759
  534   2HG   MET  68          2HG       MET  68   2.652 -15.479   9.931
  535   1HE   MET  68          2HE       MET  68  -1.097 -14.809  10.599
  536   2HE   MET  68          3HE       MET  68  -1.093 -13.218  11.399
  537   3HE   MET  68          1HE       MET  68  -0.675 -13.348   9.674
  538    H    LEU  69           H        LEU  69  -0.055 -13.236   6.039
  539    HA   LEU  69           HA       LEU  69  -2.516 -12.816   7.269
  540   1HB   LEU  69          1HB       LEU  69  -1.362 -12.000   4.611
  541   2HB   LEU  69          2HB       LEU  69  -2.972 -11.521   5.110
  542    HG   LEU  69           HG       LEU  69  -0.449 -10.900   6.670
  543   1HD1  LEU  69          3HD1      LEU  69  -1.090  -9.823   4.239
  544   2HD1  LEU  69          1HD1      LEU  69  -1.865  -8.679   5.360
  545   3HD1  LEU  69          2HD1      LEU  69  -0.124  -9.019   5.498
  546   1HD2  LEU  69          2HD2      LEU  69  -3.242 -10.728   7.331
  547   2HD2  LEU  69          3HD2      LEU  69  -1.817 -10.343   8.324
  548   3HD2  LEU  69          1HD2      LEU  69  -2.533  -9.096   7.275
  549    H    GLU  70           H        GLU  70  -1.520 -14.870   4.508
  550    HA   GLU  70           HA       GLU  70  -4.118 -15.428   3.663
  551   1HB   GLU  70          1HB       GLU  70  -2.197 -15.807   2.206
  552   2HB   GLU  70          2HB       GLU  70  -1.501 -16.953   3.334
  553   1HG   GLU  70          1HG       GLU  70  -3.734 -18.296   3.034
  554   2HG   GLU  70          2HG       GLU  70  -3.994 -17.284   1.626
  555    H    GLU  71           H        GLU  71  -1.781 -17.343   5.690
  556    HA   GLU  71           HA       GLU  71  -3.518 -19.412   6.206
  557   1HB   GLU  71          1HB       GLU  71  -1.047 -18.313   7.527
  558   2HB   GLU  71          2HB       GLU  71  -1.977 -19.510   8.407
  559   1HG   GLU  71          1HG       GLU  71  -1.915 -20.897   6.182
  560   2HG   GLU  71          2HG       GLU  71  -0.636 -19.803   5.694
  561    H    GLN  72           H        GLN  72  -3.659 -16.130   7.223
  562    HA   GLN  72           HA       GLN  72  -5.159 -16.821   9.603
  563   1HB   GLN  72          1HB       GLN  72  -3.370 -15.045   9.690
  564   2HB   GLN  72          2HB       GLN  72  -4.312 -14.078   8.572
  565   1HG   GLN  72          1HG       GLN  72  -5.587 -13.288  10.272
  566   2HG   GLN  72          2HG       GLN  72  -6.066 -14.917  10.707
  567   1HE2  GLN  72          1HE2      GLN  72  -5.429 -15.717  12.569
  568   2HE2  GLN  72          2HE2      GLN  72  -4.185 -15.092  13.599
  569    H    ILE  73           H        ILE  73  -5.446 -15.039   6.470
  570    HA   ILE  73           HA       ILE  73  -8.192 -14.420   6.901
  571    HB   ILE  73           HB       ILE  73  -6.482 -14.338   4.413
  572   1HG1  ILE  73          1HG1      ILE  73  -7.278 -11.925   6.003
  573   2HG1  ILE  73          2HG1      ILE  73  -5.950 -12.913   6.577
  574   1HG2  ILE  73          3HG2      ILE  73  -9.328 -13.902   4.828
  575   2HG2  ILE  73          1HG2      ILE  73  -8.515 -12.453   4.190
  576   3HG2  ILE  73          2HG2      ILE  73  -8.390 -14.000   3.319
  577   1HD1  ILE  73          1HD1      ILE  73  -4.928 -12.741   4.239
  578   2HD1  ILE  73          2HD1      ILE  73  -6.186 -11.538   3.867
  579   3HD1  ILE  73          3HD1      ILE  73  -4.996 -11.214   5.151
  580    H    THR  74           H        THR  74  -6.428 -16.748   4.740
  581    HA   THR  74           HA       THR  74  -8.855 -18.022   3.954
  582    HB   THR  74           HB       THR  74  -7.373 -19.365   2.626
  583    HG1  THR  74          1HG       THR  74  -6.029 -20.077   4.405
  584   1HG2  THR  74          2HG2      THR  74  -7.069 -16.701   2.405
  585   2HG2  THR  74          3HG2      THR  74  -5.462 -17.065   3.076
  586   3HG2  THR  74          1HG2      THR  74  -5.978 -17.813   1.545
  587    H    ALA  75           H        ALA  75  -7.182 -18.005   6.883
  588    HA   ALA  75           HA       ALA  75  -7.165 -20.675   7.615
  589   1HB   ALA  75          1HB       ALA  75  -6.688 -18.146   8.782
  590   2HB   ALA  75          2HB       ALA  75  -7.912 -18.928   9.810
  591   3HB   ALA  75          3HB       ALA  75  -6.362 -19.744   9.496
  592    H    PHE  76           H        PHE  76  -9.819 -18.500   6.970
  593    HA   PHE  76           HA       PHE  76 -11.664 -20.174   8.475
  594   1HB   PHE  76          1HB       PHE  76 -11.469 -17.415   7.376
  595   2HB   PHE  76          2HB       PHE  76 -13.021 -18.145   7.018
  596    HD1  PHE  76          1HD       PHE  76 -10.885 -18.533  10.046
  597    HD2  PHE  76          2HD       PHE  76 -14.525 -17.071   8.426
  598    HE1  PHE  76          1HE       PHE  76 -11.686 -17.965  12.357
  599    HE2  PHE  76          2HE       PHE  76 -15.325 -16.503  10.735
  600    HZ   PHE  76           HZ       PHE  76 -13.896 -16.956  12.674
  601    H    GLU  77           H        GLU  77 -11.531 -22.102   7.148
  602    HA   GLU  77           HA       GLU  77 -12.131 -21.850   4.378
  603   1HB   GLU  77          1HB       GLU  77 -10.859 -23.752   5.960
  604   2HB   GLU  77          2HB       GLU  77 -12.381 -24.539   5.592
  605   1HG   GLU  77          1HG       GLU  77 -11.199 -23.197   3.236
  606   2HG   GLU  77          2HG       GLU  77 -10.142 -24.422   3.911
  607    H    ASP  78           H        ASP  78 -13.991 -21.577   7.147
  608    HA   ASP  78           HA       ASP  78 -16.233 -23.047   6.097
  609   1HB   ASP  78          1HB       ASP  78 -15.418 -21.884   8.690
  610   2HB   ASP  78          2HB       ASP  78 -17.102 -21.570   8.323
  611    H    TYR  79           H        TYR  79 -14.824 -20.267   5.220
  612    HA   TYR  79           HA       TYR  79 -17.364 -18.966   4.633
  613   1HB   TYR  79          1HB       TYR  79 -14.848 -17.751   5.935
  614   2HB   TYR  79          2HB       TYR  79 -16.169 -16.777   5.322
  615    HD1  TYR  79          1HD       TYR  79 -15.408 -19.471   7.801
  616    HD2  TYR  79          2HD       TYR  79 -17.990 -16.240   6.706
  617    HE1  TYR  79          1HE       TYR  79 -16.585 -19.642  10.047
  618    HE2  TYR  79          2HE       TYR  79 -19.159 -16.422   8.957
  619    HH   TYR  79           HH       TYR  79 -19.291 -17.472  10.834
  620    H    VAL  80           H        VAL  80 -13.772 -19.056   4.223
  621    HA   VAL  80           HA       VAL  80 -14.016 -17.726   1.668
  622    HB   VAL  80           HB       VAL  80 -11.708 -18.783   3.301
  623   1HG1  VAL  80          2HG1      VAL  80 -11.820 -18.078   0.449
  624   2HG1  VAL  80          3HG1      VAL  80 -10.580 -17.185   1.361
  625   3HG1  VAL  80          1HG1      VAL  80 -10.579 -18.965   1.366
  626   1HG2  VAL  80          2HG2      VAL  80 -12.941 -16.096   2.812
  627   2HG2  VAL  80          3HG2      VAL  80 -12.308 -16.808   4.316
  628   3HG2  VAL  80          1HG2      VAL  80 -11.184 -16.196   3.079
  629    H    GLN  81           H        GLN  81 -14.092 -18.718  -0.301
  630    HA   GLN  81           HA       GLN  81 -14.273 -21.576  -0.250
  631   1HB   GLN  81          1HB       GLN  81 -15.855 -20.052  -1.539
  632   2HB   GLN  81          2HB       GLN  81 -14.534 -19.692  -2.632
  633   1HG   GLN  81          1HG       GLN  81 -14.465 -22.474  -2.548
  634   2HG   GLN  81          2HG       GLN  81 -16.182 -22.150  -2.412
  635   1HE2  GLN  81          2HE2      GLN  81 -14.046 -21.091  -5.800
  636   2HE2  GLN  81          1HE2      GLN  81 -13.277 -21.349  -4.271
  637    H    SER  82           H        SER  82 -12.073 -19.008  -1.410
  638    HA   SER  82           HA       SER  82  -9.863 -20.578  -1.366
  639   1HB   SER  82          1HB       SER  82 -11.372 -20.787  -3.942
  640   2HB   SER  82          2HB       SER  82  -9.641 -20.557  -4.082
  641    HG   SER  82           HG       SER  82  -9.252 -22.525  -3.238
  642    H    MET  83           H        MET  83  -8.325 -19.007  -1.077
  643    HA   MET  83           HA       MET  83  -8.891 -16.390  -2.105
  644   1HB   MET  83          1HB       MET  83  -8.066 -16.527   0.183
  645   2HB   MET  83          2HB       MET  83  -6.762 -17.605  -0.275
  646   1HG   MET  83          1HG       MET  83  -5.806 -15.705  -1.702
  647   2HG   MET  83          2HG       MET  83  -7.024 -14.652  -1.012
  648   1HE   MET  83          1HE       MET  83  -3.866 -14.941  -1.171
  649   2HE   MET  83          2HE       MET  83  -3.109 -14.682   0.419
  650   3HE   MET  83          3HE       MET  83  -3.405 -16.336  -0.167
  651    H    ASP  84           H        ASP  84  -7.347 -15.123  -3.387
  652    HA   ASP  84           HA       ASP  84  -5.277 -16.675  -4.658
  653   1HB   ASP  84          1HB       ASP  84  -7.683 -15.462  -6.040
  654   2HB   ASP  84          2HB       ASP  84  -6.153 -15.509  -6.894
  655    H    VAL  85           H        VAL  85  -4.365 -14.865  -6.539
  656    HA   VAL  85           HA       VAL  85  -4.022 -12.400  -4.975
  657    HB   VAL  85           HB       VAL  85  -2.138 -13.769  -6.905
  658   1HG1  VAL  85          3HG1      VAL  85  -2.174 -11.070  -5.696
  659   2HG1  VAL  85          1HG1      VAL  85  -0.631 -11.945  -5.545
  660   3HG1  VAL  85          2HG1      VAL  85  -1.344 -11.668  -7.153
  661   1HG2  VAL  85          3HG2      VAL  85  -2.395 -13.774  -3.920
  662   2HG2  VAL  85          1HG2      VAL  85  -1.934 -15.086  -5.032
  663   3HG2  VAL  85          2HG2      VAL  85  -0.766 -13.802  -4.636
  664    H    ALA  86           H        ALA  86  -4.712 -10.520  -5.881
  665    HA   ALA  86           HA       ALA  86  -5.871 -10.691  -8.524
  666   1HB   ALA  86          1HB       ALA  86  -6.773  -9.538  -6.309
  667   2HB   ALA  86          2HB       ALA  86  -5.772  -8.179  -6.872
  668   3HB   ALA  86          3HB       ALA  86  -7.077  -8.810  -7.904
  669    H    ALA  87           H        ALA  87  -2.881  -9.773  -7.016
  670    HA   ALA  87           HA       ALA  87  -1.499  -9.356  -9.302
  671   1HB   ALA  87          1HB       ALA  87  -2.991  -6.891  -8.426
  672   2HB   ALA  87          2HB       ALA  87  -1.360  -6.719  -9.118
  673   3HB   ALA  87          3HB       ALA  87  -2.654  -7.489 -10.068
  674    H    PHE  88           H        PHE  88   0.682  -8.345  -8.872
  675    HA   PHE  88           HA       PHE  88   1.218  -7.969  -6.037
  676   1HB   PHE  88          1HB       PHE  88   1.661 -10.387  -7.494
  677   2HB   PHE  88          2HB       PHE  88   3.233  -9.613  -7.464
  678    HD1  PHE  88          1HD       PHE  88   0.526  -9.746  -4.896
  679    HD2  PHE  88          2HD       PHE  88   4.526 -10.732  -5.912
  680    HE1  PHE  88          1HE       PHE  88   0.905 -10.605  -2.569
  681    HE2  PHE  88          2HE       PHE  88   4.905 -11.592  -3.584
  682    HZ   PHE  88           HZ       PHE  88   3.091 -11.517  -1.940
  683    H    ASN  89           H        ASN  89   1.660  -5.755  -6.502
  684    HA   ASN  89           HA       ASN  89   4.263  -5.404  -7.644
  685   1HB   ASN  89          1HB       ASN  89   1.741  -4.508  -8.977
  686   2HB   ASN  89          2HB       ASN  89   2.961  -3.258  -8.835
  687   1HD2  ASN  89          2HD2      ASN  89   5.073  -4.463 -11.305
  688   2HD2  ASN  89          1HD2      ASN  89   4.683  -3.256 -10.126
  689    H    LYS  90           H        LYS  90   4.585  -2.709  -7.569
  690    HA   LYS  90           HA       LYS  90   3.895  -2.051  -4.825
  691   1HB   LYS  90          1HB       LYS  90   6.226  -1.873  -5.431
  692   2HB   LYS  90          2HB       LYS  90   5.850  -0.852  -6.805
  693   1HG   LYS  90          1HG       LYS  90   4.958   0.904  -5.284
  694   2HG   LYS  90          2HG       LYS  90   5.264  -0.121  -3.896
  695   1HD   LYS  90          1HD       LYS  90   7.329   0.817  -3.780
  696   2HD   LYS  90          2HD       LYS  90   7.739  -0.088  -5.224
  697   1HE   LYS  90          1HE       LYS  90   7.999   1.875  -6.330
  698   2HE   LYS  90          2HE       LYS  90   6.279   2.164  -6.159
  699   1HZ   LYS  90          3HZ       LYS  90   7.165   2.850  -3.758
  700   2HZ   LYS  90          1HZ       LYS  90   8.457   3.271  -4.665
  701   3HZ   LYS  90          2HZ       LYS  90   6.988   3.905  -4.992
  702    H    ILE  91           H        ILE  91   3.282   0.226  -4.366
  703    HA   ILE  91           HA       ILE  91   1.194   1.073  -6.306
  704    HB   ILE  91           HB       ILE  91   0.946   2.416  -3.804
  705   1HG1  ILE  91          1HG1      ILE  91   1.802  -0.469  -3.638
  706   2HG1  ILE  91          2HG1      ILE  91   2.175   0.887  -2.546
  707   1HG2  ILE  91          2HG2      ILE  91  -0.730   1.446  -5.597
  708   2HG2  ILE  91          3HG2      ILE  91  -0.656  -0.020  -4.591
  709   3HG2  ILE  91          1HG2      ILE  91  -1.213   1.515  -3.885
  710   1HD1  ILE  91          1HD1      ILE  91  -0.310   0.908  -1.937
  711   2HD1  ILE  91          2HD1      ILE  91  -0.442  -0.641  -2.804
  712   3HD1  ILE  91          3HD1      ILE  91   0.610  -0.508  -1.375
   
  No H/Q in entry =         712
  Start of MODEL   12
    1   1H    MET   1           H        MET   1   8.095   1.497   8.668
    2   2H    MET   1          2HN       MET   1   8.464   2.021  10.195
    3   3H    MET   1          3HN       MET   1   7.313   2.810   9.305
    4    HA   MET   1           HA       MET   1   9.232   4.112   9.288
    5   1HB   MET   1          1HB       MET   1  10.461   1.431   8.697
    6   2HB   MET   1          2HB       MET   1  11.245   2.898   8.065
    7   1HG   MET   1          1HG       MET   1  11.673   3.753  10.181
    8   2HG   MET   1          2HG       MET   1  10.355   2.838  10.934
    9   1HE   MET   1          1HE       MET   1  12.580   3.006  12.659
   10   2HE   MET   1          2HE       MET   1  11.431   1.687  12.983
   11   3HE   MET   1          3HE       MET   1  13.183   1.370  13.020
   12    H    LEU   2           H        LEU   2   7.801   1.784   7.014
   13    HA   LEU   2           HA       LEU   2   7.076   2.063   4.946
   14   1HB   LEU   2          1HB       LEU   2   7.131   4.720   5.997
   15   2HB   LEU   2          2HB       LEU   2   7.645   4.777   4.323
   16    HG   LEU   2           HG       LEU   2   5.279   3.096   4.698
   17   1HD1  LEU   2          2HD1      LEU   2   5.082   4.915   6.526
   18   2HD1  LEU   2          3HD1      LEU   2   4.795   6.029   5.169
   19   3HD1  LEU   2          1HD1      LEU   2   3.707   4.645   5.428
   20   1HD2  LEU   2          3HD2      LEU   2   6.300   4.047   2.553
   21   2HD2  LEU   2          1HD2      LEU   2   4.533   4.149   2.741
   22   3HD2  LEU   2          2HD2      LEU   2   5.542   5.588   3.018
   23    H    VAL   3           H        VAL   3   9.590   0.979   5.359
   24    HA   VAL   3           HA       VAL   3  11.424   2.315   3.567
   25    HB   VAL   3           HB       VAL   3  12.815   0.257   4.139
   26   1HG1  VAL   3          1HG1      VAL   3  12.929   2.577   5.202
   27   2HG1  VAL   3          2HG1      VAL   3  11.988   1.891   6.549
   28   3HG1  VAL   3          3HG1      VAL   3  13.592   1.227   6.154
   29   1HG2  VAL   3          3HG2      VAL   3  10.565  -0.902   4.962
   30   2HG2  VAL   3          1HG2      VAL   3  12.139  -1.278   5.703
   31   3HG2  VAL   3          2HG2      VAL   3  11.027  -0.142   6.503
   32    H    ALA   4           H        ALA   4  10.097   2.247   1.621
   33    HA   ALA   4           HA       ALA   4   9.535   1.392  -0.340
   34   1HB   ALA   4          3HB       ALA   4  11.961   0.302   0.196
   35   2HB   ALA   4          1HB       ALA   4  10.990  -1.181   0.043
   36   3HB   ALA   4          2HB       ALA   4  11.056  -0.017  -1.302
   37    H    LYS   5           H        LYS   5   7.324   1.126  -0.014
   38    HA   LYS   5           HA       LYS   5   6.506  -1.462   1.093
   39   1HB   LYS   5          1HB       LYS   5   5.130   1.223   0.927
   40   2HB   LYS   5          2HB       LYS   5   4.246  -0.253   1.255
   41   1HG   LYS   5          1HG       LYS   5   6.712   0.092   2.892
   42   2HG   LYS   5          2HG       LYS   5   5.479   1.301   3.180
   43   1HD   LYS   5          1HD       LYS   5   3.836  -0.779   3.282
   44   2HD   LYS   5          2HD       LYS   5   5.302  -1.701   3.549
   45   1HE   LYS   5          1HE       LYS   5   4.820  -1.184   5.755
   46   2HE   LYS   5          2HE       LYS   5   5.772   0.235   5.363
   47   1HZ   LYS   5          1HZ       LYS   5   3.619   1.282   4.716
   48   2HZ   LYS   5          2HZ       LYS   5   2.851   0.014   5.402
   49   3HZ   LYS   5          3HZ       LYS   5   3.795   0.987   6.313
   50    H    SER   6           H        SER   6   4.279  -2.196   0.039
   51    HA   SER   6           HA       SER   6   4.280  -1.613  -2.783
   52   1HB   SER   6          1HB       SER   6   5.792  -3.500  -2.732
   53   2HB   SER   6          2HB       SER   6   4.767  -4.382  -1.618
   54    HG   SER   6           HG       SER   6   3.230  -4.722  -3.244
   55    H    SER   7           H        SER   7   2.302  -2.787  -3.853
   56    HA   SER   7           HA       SER   7   0.180  -2.846  -1.852
   57   1HB   SER   7          1HB       SER   7  -0.577  -1.103  -3.126
   58   2HB   SER   7          2HB       SER   7   0.416  -1.542  -4.502
   59    HG   SER   7           HG       SER   7  -2.245  -2.205  -3.927
   60    H    ILE   8           H        ILE   8  -0.893  -4.784  -1.623
   61    HA   ILE   8           HA       ILE   8  -0.701  -6.663  -3.871
   62    HB   ILE   8           HB       ILE   8  -0.638  -7.450  -0.964
   63   1HG1  ILE   8          1HG1      ILE   8   1.331  -6.008  -1.623
   64   2HG1  ILE   8          2HG1      ILE   8   1.715  -7.604  -1.013
   65   1HG2  ILE   8          1HG2      ILE   8  -1.074  -8.898  -3.335
   66   2HG2  ILE   8          2HG2      ILE   8   0.589  -9.277  -2.827
   67   3HG2  ILE   8          3HG2      ILE   8  -0.766  -9.538  -1.703
   68   1HD1  ILE   8          3HD1      ILE   8   1.349  -7.270  -3.989
   69   2HD1  ILE   8          1HD1      ILE   8   2.857  -6.693  -3.238
   70   3HD1  ILE   8          2HD1      ILE   8   2.393  -8.406  -3.101
   71    H    LEU   9           H        LEU   9  -2.696  -6.752  -4.760
   72    HA   LEU   9           HA       LEU   9  -4.986  -6.410  -2.996
   73   1HB   LEU   9          1HB       LEU   9  -4.765  -5.071  -5.062
   74   2HB   LEU   9          2HB       LEU   9  -4.818  -6.543  -6.010
   75    HG   LEU   9           HG       LEU   9  -7.104  -6.994  -5.058
   76   1HD1  LEU   9          1HD1      LEU   9  -6.441  -4.977  -3.264
   77   2HD1  LEU   9          2HD1      LEU   9  -7.638  -4.225  -4.345
   78   3HD1  LEU   9          3HD1      LEU   9  -8.039  -5.730  -3.484
   79   1HD2  LEU   9          2HD2      LEU   9  -6.292  -5.095  -7.067
   80   2HD2  LEU   9          3HD2      LEU   9  -7.675  -6.216  -7.055
   81   3HD2  LEU   9          1HD2      LEU   9  -7.835  -4.596  -6.334
   82    H    LEU  10           H        LEU  10  -6.211  -8.082  -2.289
   83    HA   LEU  10           HA       LEU  10  -5.635 -10.693  -3.497
   84   1HB   LEU  10          1HB       LEU  10  -6.376  -9.814  -0.727
   85   2HB   LEU  10          2HB       LEU  10  -6.730 -11.447  -1.258
   86    HG   LEU  10           HG       LEU  10  -4.308 -11.761  -1.785
   87   1HD1  LEU  10          3HD1      LEU  10  -4.244  -8.915  -1.240
   88   2HD1  LEU  10          1HD1      LEU  10  -3.080  -9.797  -0.223
   89   3HD1  LEU  10          2HD1      LEU  10  -3.019  -9.963  -1.995
   90   1HD2  LEU  10          1HD2      LEU  10  -5.258 -11.162   1.006
   91   2HD2  LEU  10          2HD2      LEU  10  -4.951 -12.732   0.223
   92   3HD2  LEU  10          3HD2      LEU  10  -3.586 -11.693   0.700
   93    H    ASP  11           H        ASP  11  -7.404 -12.138  -3.955
   94    HA   ASP  11           HA       ASP  11  -9.971 -10.769  -4.037
   95   1HB   ASP  11          1HB       ASP  11  -8.489 -11.184  -6.285
   96   2HB   ASP  11          2HB       ASP  11  -9.292 -12.739  -6.203
   97    H    VAL  12           H        VAL  12 -10.800 -12.008  -2.253
   98    HA   VAL  12           HA       VAL  12 -10.542 -14.905  -2.416
   99    HB   VAL  12           HB       VAL  12 -11.463 -12.989  -0.273
  100   1HG1  VAL  12          3HG1      VAL  12 -11.580 -16.014  -0.342
  101   2HG1  VAL  12          1HG1      VAL  12 -11.555 -15.086   1.177
  102   3HG1  VAL  12          2HG1      VAL  12 -12.887 -14.861   0.019
  103   1HG2  VAL  12          1HG2      VAL  12  -8.942 -13.556  -0.931
  104   2HG2  VAL  12          2HG2      VAL  12  -9.451 -13.337   0.761
  105   3HG2  VAL  12          3HG2      VAL  12  -9.260 -14.976   0.093
  106    H    LYS  13           H        LYS  13 -12.487 -16.273  -2.134
  107    HA   LYS  13           HA       LYS  13 -14.872 -14.928  -3.203
  108   1HB   LYS  13          1HB       LYS  13 -13.356 -16.724  -4.589
  109   2HB   LYS  13          2HB       LYS  13 -14.505 -17.800  -3.817
  110   1HG   LYS  13          1HG       LYS  13 -16.127 -17.170  -5.269
  111   2HG   LYS  13          2HG       LYS  13 -15.962 -15.497  -4.774
  112   1HD   LYS  13          1HD       LYS  13 -14.424 -14.989  -6.490
  113   2HD   LYS  13          2HD       LYS  13 -13.901 -16.653  -6.660
  114   1HE   LYS  13          1HE       LYS  13 -15.245 -16.284  -8.587
  115   2HE   LYS  13          2HE       LYS  13 -16.306 -17.161  -7.503
  116   1HZ   LYS  13          1HZ       LYS  13 -16.418 -14.358  -7.089
  117   2HZ   LYS  13          2HZ       LYS  13 -16.829 -14.768  -8.616
  118   3HZ   LYS  13          3HZ       LYS  13 -17.633 -15.416  -7.352
  119    HA   PRO  14           HA       PRO  14 -16.657 -16.505   0.424
  120   1HB   PRO  14          1HB       PRO  14 -19.232 -15.707  -0.022
  121   2HB   PRO  14          2HB       PRO  14 -18.003 -14.651   0.646
  122   1HG   PRO  14          1HG       PRO  14 -19.138 -14.680  -2.083
  123   2HG   PRO  14          2HG       PRO  14 -18.249 -13.403  -1.277
  124   1HD   PRO  14          1HD       PRO  14 -17.246 -15.190  -3.283
  125   2HD   PRO  14          2HD       PRO  14 -16.328 -13.990  -2.394
  126    H    TRP  15           H        TRP  15 -17.628 -18.332   1.238
  127    HA   TRP  15           HA       TRP  15 -17.834 -20.451  -0.514
  128   1HB   TRP  15          1HB       TRP  15 -18.377 -19.917   2.296
  129   2HB   TRP  15          2HB       TRP  15 -19.499 -21.082   1.622
  130    HD1  TRP  15           HD       TRP  15 -16.629 -21.397   3.570
  131    HE1  TRP  15          1HE       TRP  15 -15.053 -23.453   3.064
  132    HE3  TRP  15          3HE       TRP  15 -18.455 -22.326  -1.084
  133    HZ2  TRP  15          2HZ       TRP  15 -14.754 -25.197   0.826
  134    HZ3  TRP  15          3HZ       TRP  15 -17.466 -24.223  -2.363
  135    HH2  TRP  15           HH       TRP  15 -15.677 -25.636  -1.479
  136    H    ASP  16           H        ASP  16 -20.172 -17.946   0.485
  137    HA   ASP  16           HA       ASP  16 -21.724 -18.243  -1.732
  138   1HB   ASP  16          1HB       ASP  16 -22.334 -20.208   0.339
  139   2HB   ASP  16          2HB       ASP  16 -23.703 -19.136   0.124
  140    H    ASP  17           H        ASP  17 -24.102 -17.178  -1.173
  141    HA   ASP  17           HA       ASP  17 -23.691 -14.690  -0.291
  142   1HB   ASP  17          1HB       ASP  17 -26.300 -15.025   0.472
  143   2HB   ASP  17          2HB       ASP  17 -25.793 -14.796  -1.189
  144    H    GLU  18           H        GLU  18 -24.264 -17.661   1.589
  145    HA   GLU  18           HA       GLU  18 -25.095 -16.547   3.960
  146   1HB   GLU  18          1HB       GLU  18 -24.376 -18.663   4.986
  147   2HB   GLU  18          2HB       GLU  18 -25.157 -18.972   3.448
  148   1HG   GLU  18          1HG       GLU  18 -22.840 -19.020   2.373
  149   2HG   GLU  18          2HG       GLU  18 -22.151 -18.919   3.982
  150    H    THR  19           H        THR  19 -21.802 -17.043   2.601
  151    HA   THR  19           HA       THR  19 -20.336 -16.445   4.889
  152    HB   THR  19           HB       THR  19 -19.848 -16.152   1.888
  153    HG1  THR  19          1HG       THR  19 -19.729 -18.307   2.480
  154   1HG2  THR  19          2HG2      THR  19 -18.345 -14.629   3.435
  155   2HG2  THR  19          3HG2      THR  19 -17.676 -16.171   4.019
  156   3HG2  THR  19          1HG2      THR  19 -17.537 -15.736   2.298
  157    H    ASP  20           H        ASP  20 -21.042 -14.777   6.167
  158    HA   ASP  20           HA       ASP  20 -22.066 -12.432   5.365
  159   1HB   ASP  20          1HB       ASP  20 -20.885 -13.522   7.755
  160   2HB   ASP  20          2HB       ASP  20 -20.239 -11.906   7.553
  161    H    MET  21           H        MET  21 -21.211 -10.952   3.894
  162    HA   MET  21           HA       MET  21 -18.463 -10.928   3.308
  163   1HB   MET  21          1HB       MET  21 -20.638  -8.869   2.633
  164   2HB   MET  21          2HB       MET  21 -19.113  -9.049   1.791
  165   1HG   MET  21          1HG       MET  21 -21.231 -11.246   1.973
  166   2HG   MET  21          2HG       MET  21 -21.068 -10.152   0.613
  167   1HE   MET  21          1HE       MET  21 -19.848 -10.677  -1.346
  168   2HE   MET  21          2HE       MET  21 -18.479  -9.846  -0.572
  169   3HE   MET  21          3HE       MET  21 -18.221 -11.396  -1.408
  170    H    ALA  22           H        ALA  22 -20.556  -9.126   5.526
  171    HA   ALA  22           HA       ALA  22 -18.862  -6.894   5.858
  172   1HB   ALA  22          1HB       ALA  22 -21.090  -8.153   7.491
  173   2HB   ALA  22          2HB       ALA  22 -20.248  -6.670   8.003
  174   3HB   ALA  22          3HB       ALA  22 -21.157  -6.694   6.473
  175    H    LYS  23           H        LYS  23 -19.058 -10.162   7.304
  176    HA   LYS  23           HA       LYS  23 -17.119  -9.509   9.323
  177   1HB   LYS  23          1HB       LYS  23 -19.091 -11.190   9.456
  178   2HB   LYS  23          2HB       LYS  23 -18.040 -12.282   8.577
  179   1HG   LYS  23          1HG       LYS  23 -16.885 -10.864  10.974
  180   2HG   LYS  23          2HG       LYS  23 -18.031 -12.155  11.271
  181   1HD   LYS  23          1HD       LYS  23 -16.656 -13.715   9.899
  182   2HD   LYS  23          2HD       LYS  23 -15.524 -12.425   9.545
  183   1HE   LYS  23          1HE       LYS  23 -14.529 -13.629  11.355
  184   2HE   LYS  23          2HE       LYS  23 -15.188 -12.182  12.090
  185   1HZ   LYS  23          2HZ       LYS  23 -17.240 -13.915  12.188
  186   2HZ   LYS  23          3HZ       LYS  23 -15.959 -14.889  12.463
  187   3HZ   LYS  23          1HZ       LYS  23 -16.220 -13.595  13.423
  188    H    LEU  24           H        LEU  24 -17.247 -11.311   6.198
  189    HA   LEU  24           HA       LEU  24 -14.598 -12.209   6.305
  190   1HB   LEU  24          1HB       LEU  24 -16.779 -12.597   4.699
  191   2HB   LEU  24          2HB       LEU  24 -15.733 -11.661   3.650
  192    HG   LEU  24           HG       LEU  24 -15.000 -14.265   5.018
  193   1HD1  LEU  24          2HD1      LEU  24 -16.559 -13.851   2.745
  194   2HD1  LEU  24          3HD1      LEU  24 -14.944 -14.258   2.116
  195   3HD1  LEU  24          1HD1      LEU  24 -15.764 -15.364   3.244
  196   1HD2  LEU  24          1HD2      LEU  24 -13.304 -12.212   4.089
  197   2HD2  LEU  24          2HD2      LEU  24 -12.863 -13.867   4.578
  198   3HD2  LEU  24          3HD2      LEU  24 -13.236 -13.512   2.874
  199    H    GLU  25           H        GLU  25 -16.117  -9.163   5.181
  200    HA   GLU  25           HA       GLU  25 -13.707  -8.226   4.033
  201   1HB   GLU  25          1HB       GLU  25 -16.066  -7.528   3.371
  202   2HB   GLU  25          2HB       GLU  25 -16.154  -6.607   4.860
  203   1HG   GLU  25          1HG       GLU  25 -13.695  -5.815   3.747
  204   2HG   GLU  25          2HG       GLU  25 -14.740  -5.975   2.349
  205    H    GLU  26           H        GLU  26 -15.339  -7.996   7.203
  206    HA   GLU  26           HA       GLU  26 -13.635  -5.937   8.130
  207   1HB   GLU  26          1HB       GLU  26 -15.687  -5.962   9.247
  208   2HB   GLU  26          2HB       GLU  26 -15.755  -7.711   9.321
  209   1HG   GLU  26          1HG       GLU  26 -14.514  -7.820  11.263
  210   2HG   GLU  26          2HG       GLU  26 -13.466  -6.496  10.797
  211    H    CYS  27           H        CYS  27 -13.955  -9.486   8.875
  212    HA   CYS  27           HA       CYS  27 -11.942  -9.798  10.612
  213   1HB   CYS  27          1HB       CYS  27 -13.492 -11.577   9.712
  214   2HB   CYS  27          2HB       CYS  27 -12.446 -11.711   8.313
  215    HG   CYS  27           HG       CYS  27 -11.032 -11.639  11.248
  216    H    VAL  28           H        VAL  28 -11.671  -9.839   6.983
  217    HA   VAL  28           HA       VAL  28  -8.963 -10.208   6.792
  218    HB   VAL  28           HB       VAL  28 -11.004  -8.778   5.116
  219   1HG1  VAL  28          1HG1      VAL  28  -8.089  -8.524   4.923
  220   2HG1  VAL  28          2HG1      VAL  28  -8.837  -9.142   3.431
  221   3HG1  VAL  28          3HG1      VAL  28  -9.377  -7.594   4.122
  222   1HG2  VAL  28          2HG2      VAL  28 -11.106 -11.221   5.212
  223   2HG2  VAL  28          3HG2      VAL  28 -10.610 -10.675   3.592
  224   3HG2  VAL  28          1HG2      VAL  28  -9.399 -11.328   4.721
  225    H    ARG  29           H        ARG  29 -10.832  -7.209   7.448
  226    HA   ARG  29           HA       ARG  29  -8.563  -5.566   7.261
  227   1HB   ARG  29          1HB       ARG  29 -11.421  -5.279   8.128
  228   2HB   ARG  29          2HB       ARG  29 -10.308  -4.100   8.793
  229   1HG   ARG  29          1HG       ARG  29  -9.606  -4.280   6.053
  230   2HG   ARG  29          2HG       ARG  29 -11.358  -4.321   6.064
  231   1HD   ARG  29          1HD       ARG  29 -11.204  -2.285   7.705
  232   2HD   ARG  29          2HD       ARG  29  -9.532  -2.166   7.198
  233    HE   ARG  29           HE       ARG  29 -10.266  -1.241   5.190
  234   1HH1  ARG  29          2HH2      ARG  29 -12.888  -3.141   6.569
  235   2HH1  ARG  29          1HH2      ARG  29 -14.026  -2.696   5.341
  236   1HH2  ARG  29          2HH1      ARG  29 -11.768  -0.653   3.570
  237   2HH2  ARG  29          1HH1      ARG  29 -13.385  -1.271   3.625
  238    H    SER  30           H        SER  30 -10.351  -7.205   9.930
  239    HA   SER  30           HA       SER  30  -9.222  -6.007  12.071
  240   1HB   SER  30          1HB       SER  30 -10.095  -7.763  13.302
  241   2HB   SER  30          2HB       SER  30 -10.965  -8.002  11.800
  242    HG   SER  30           HG       SER  30  -9.534  -9.668  11.205
  243    H    ILE  31           H        ILE  31  -7.783  -8.286   9.766
  244    HA   ILE  31           HA       ILE  31  -5.656  -9.200  11.304
  245    HB   ILE  31           HB       ILE  31  -5.919  -8.752   8.330
  246   1HG1  ILE  31          1HG1      ILE  31  -6.183 -11.333   9.887
  247   2HG1  ILE  31          2HG1      ILE  31  -7.554 -10.302   9.524
  248   1HG2  ILE  31          3HG2      ILE  31  -3.561  -8.852   8.947
  249   2HG2  ILE  31          1HG2      ILE  31  -3.846 -10.360   9.848
  250   3HG2  ILE  31          2HG2      ILE  31  -4.058 -10.327   8.082
  251   1HD1  ILE  31          1HD1      ILE  31  -6.840 -10.420   7.054
  252   2HD1  ILE  31          2HD1      ILE  31  -5.711 -11.705   7.547
  253   3HD1  ILE  31          3HD1      ILE  31  -7.464 -11.930   7.759
  254    H    GLN  32           H        GLN  32  -3.815  -8.276  12.060
  255    HA   GLN  32           HA       GLN  32  -2.779  -5.979  10.703
  256   1HB   GLN  32          1HB       GLN  32  -4.535  -5.568  12.875
  257   2HB   GLN  32          2HB       GLN  32  -2.937  -5.353  13.563
  258   1HG   GLN  32          1HG       GLN  32  -2.609  -3.385  12.458
  259   2HG   GLN  32          2HG       GLN  32  -3.150  -4.056  10.932
  260   1HE2  GLN  32          2HE2      GLN  32  -5.432  -1.451  12.860
  261   2HE2  GLN  32          1HE2      GLN  32  -3.727  -1.699  13.035
  262    H    ALA  33           H        ALA  33  -0.580  -6.200  10.659
  263    HA   ALA  33           HA       ALA  33   0.679  -7.547  12.936
  264   1HB   ALA  33          1HB       ALA  33   0.205  -9.003  10.787
  265   2HB   ALA  33          2HB       ALA  33   1.592  -8.110  10.119
  266   3HB   ALA  33          3HB       ALA  33   1.791  -9.090  11.591
  267    H    ASP  34           H        ASP  34   3.011  -7.027  13.127
  268    HA   ASP  34           HA       ASP  34   3.443  -4.337  12.879
  269   1HB   ASP  34          1HB       ASP  34   4.695  -5.810  14.421
  270   2HB   ASP  34          2HB       ASP  34   5.441  -6.637  13.070
  271    H    GLY  35           H        GLY  35   4.112  -3.068  11.126
  272   1HA   GLY  35          1HA       GLY  35   5.325  -2.560   9.239
  273   2HA   GLY  35          2HA       GLY  35   5.725  -4.251   9.014
  274    H    LEU  36           H        LEU  36   2.685  -4.862   9.536
  275    HA   LEU  36           HA       LEU  36   1.958  -4.541   6.741
  276   1HB   LEU  36          1HB       LEU  36   1.690  -6.733   7.373
  277   2HB   LEU  36          2HB       LEU  36   1.140  -6.327   8.986
  278    HG   LEU  36           HG       LEU  36  -0.975  -5.392   7.803
  279   1HD1  LEU  36          3HD1      LEU  36  -0.002  -5.494   5.520
  280   2HD1  LEU  36          1HD1      LEU  36  -0.010  -7.270   5.631
  281   3HD1  LEU  36          2HD1      LEU  36  -1.544  -6.369   5.678
  282   1HD2  LEU  36          3HD2      LEU  36  -0.634  -7.542   9.211
  283   2HD2  LEU  36          1HD2      LEU  36  -2.089  -7.389   8.196
  284   3HD2  LEU  36          2HD2      LEU  36  -0.720  -8.385   7.645
  285    H    VAL  37           H        VAL  37   0.315  -3.243   6.001
  286    HA   VAL  37           HA       VAL  37  -1.413  -2.008   8.000
  287    HB   VAL  37           HB       VAL  37   0.424  -0.574   6.089
  288   1HG1  VAL  37          2HG1      VAL  37  -2.280   0.181   6.949
  289   2HG1  VAL  37          3HG1      VAL  37  -1.047   1.406   7.331
  290   3HG1  VAL  37          1HG1      VAL  37  -1.258   0.850   5.654
  291   1HG2  VAL  37          2HG2      VAL  37   0.056  -0.687   9.067
  292   2HG2  VAL  37          3HG2      VAL  37   1.549  -0.749   8.100
  293   3HG2  VAL  37          1HG2      VAL  37   0.693   0.797   8.319
  294    H    TRP  38           H        TRP  38  -3.488  -1.524   7.216
  295    HA   TRP  38           HA       TRP  38  -4.081  -2.791   4.672
  296   1HB   TRP  38          1HB       TRP  38  -5.694  -1.913   7.045
  297   2HB   TRP  38          2HB       TRP  38  -6.478  -2.197   5.503
  298    HD1  TRP  38           HD       TRP  38  -5.435  -4.046   8.541
  299    HE1  TRP  38          1HE       TRP  38  -5.585  -6.668   8.278
  300    HE3  TRP  38          3HE       TRP  38  -5.950  -4.036   3.483
  301    HZ2  TRP  38          2HZ       TRP  38  -5.894  -8.403   6.035
  302    HZ3  TRP  38          3HZ       TRP  38  -6.170  -6.237   2.333
  303    HH2  TRP  38           HH       TRP  38  -6.148  -8.370   3.526
  304    H    GLY  39           H        GLY  39  -6.213  -1.383   3.695
  305   1HA   GLY  39          1HA       GLY  39  -5.505   1.449   3.596
  306   2HA   GLY  39          2HA       GLY  39  -5.342   0.538   2.109
  307    H    SER  40           H        SER  40  -7.304  -0.721   1.335
  308    HA   SER  40           HA       SER  40  -9.798  -0.148   2.472
  309   1HB   SER  40          1HB       SER  40  -8.750   1.826   0.618
  310   2HB   SER  40          2HB       SER  40 -10.152   1.055  -0.096
  311    HG   SER  40           HG       SER  40 -10.436   3.016   1.413
  312    H    SER  41           H        SER  41 -11.182  -1.782   1.810
  313    HA   SER  41           HA       SER  41 -10.166  -3.516  -0.238
  314   1HB   SER  41          1HB       SER  41 -11.942  -5.064   0.522
  315   2HB   SER  41          2HB       SER  41 -10.981  -4.491   1.872
  316    HG   SER  41           HG       SER  41 -13.303  -2.982   1.210
  317    H    LYS  42           H        LYS  42 -11.877  -4.486  -1.833
  318    HA   LYS  42           HA       LYS  42 -13.758  -2.386  -2.642
  319   1HB   LYS  42          1HB       LYS  42 -12.209  -3.983  -4.672
  320   2HB   LYS  42          2HB       LYS  42 -13.088  -2.483  -4.885
  321   1HG   LYS  42          1HG       LYS  42 -11.381  -1.446  -3.209
  322   2HG   LYS  42          2HG       LYS  42 -10.433  -2.898  -3.456
  323   1HD   LYS  42          1HD       LYS  42  -9.638  -1.201  -5.013
  324   2HD   LYS  42          2HD       LYS  42 -10.447  -2.452  -5.938
  325   1HE   LYS  42          1HE       LYS  42 -11.774  -0.848  -6.838
  326   2HE   LYS  42          2HE       LYS  42 -12.508  -0.630  -5.263
  327   1HZ   LYS  42          3HZ       LYS  42 -10.569   0.871  -4.794
  328   2HZ   LYS  42          1HZ       LYS  42 -10.243   0.837  -6.394
  329   3HZ   LYS  42          2HZ       LYS  42 -11.669   1.431  -5.864
  330    H    LEU  43           H        LEU  43 -15.569  -3.223  -3.992
  331    HA   LEU  43           HA       LEU  43 -16.046  -6.065  -3.421
  332   1HB   LEU  43          1HB       LEU  43 -17.645  -3.668  -2.792
  333   2HB   LEU  43          2HB       LEU  43 -18.542  -4.990  -3.512
  334    HG   LEU  43           HG       LEU  43 -18.708  -5.185  -1.141
  335   1HD1  LEU  43          3HD1      LEU  43 -17.558  -7.213  -2.767
  336   2HD1  LEU  43          1HD1      LEU  43 -16.822  -7.330  -1.151
  337   3HD1  LEU  43          2HD1      LEU  43 -18.592  -7.389  -1.329
  338   1HD2  LEU  43          2HD2      LEU  43 -15.834  -4.492  -1.200
  339   2HD2  LEU  43          3HD2      LEU  43 -17.094  -4.102  -0.005
  340   3HD2  LEU  43          1HD2      LEU  43 -16.313  -5.701   0.015
  341    H    VAL  44           H        VAL  44 -17.327  -7.214  -5.010
  342    HA   VAL  44           HA       VAL  44 -17.917  -5.821  -7.467
  343    HB   VAL  44           HB       VAL  44 -15.858  -8.033  -7.344
  344   1HG1  VAL  44          2HG1      VAL  44 -17.460  -6.869  -9.575
  345   2HG1  VAL  44          3HG1      VAL  44 -15.741  -7.204  -9.891
  346   3HG1  VAL  44          1HG1      VAL  44 -16.821  -8.516  -9.357
  347   1HG2  VAL  44          2HG2      VAL  44 -15.613  -5.096  -8.076
  348   2HG2  VAL  44          3HG2      VAL  44 -14.890  -5.917  -6.672
  349   3HG2  VAL  44          1HG2      VAL  44 -14.338  -6.316  -8.316
  350    HA   PRO  45           HA       PRO  45 -20.933  -8.951  -6.641
  351   1HB   PRO  45          1HB       PRO  45 -23.037  -7.664  -7.816
  352   2HB   PRO  45          2HB       PRO  45 -22.608  -7.455  -6.130
  353   1HG   PRO  45          1HG       PRO  45 -22.168  -5.609  -8.396
  354   2HG   PRO  45          2HG       PRO  45 -22.142  -5.264  -6.678
  355   1HD   PRO  45          1HD       PRO  45 -19.870  -5.549  -8.404
  356   2HD   PRO  45          2HD       PRO  45 -19.844  -5.320  -6.667
  357    H    VAL  46           H        VAL  46 -21.663 -10.726  -7.747
  358    HA   VAL  46           HA       VAL  46 -20.729 -10.741 -10.492
  359    HB   VAL  46           HB       VAL  46 -21.767 -12.875  -8.622
  360   1HG1  VAL  46          3HG1      VAL  46 -22.251 -13.206 -11.133
  361   2HG1  VAL  46          1HG1      VAL  46 -20.491 -13.404 -11.308
  362   3HG1  VAL  46          2HG1      VAL  46 -21.411 -14.515 -10.266
  363   1HG2  VAL  46          3HG2      VAL  46 -19.100 -11.786  -9.280
  364   2HG2  VAL  46          1HG2      VAL  46 -19.665 -12.652  -7.831
  365   3HG2  VAL  46          2HG2      VAL  46 -19.210 -13.562  -9.291
  366    H    GLY  47           H        GLY  47 -23.747 -11.775  -8.736
  367   1HA   GLY  47          1HA       GLY  47 -25.274 -10.809 -11.079
  368   2HA   GLY  47          2HA       GLY  47 -25.606 -12.348 -10.309
  369    H    TYR  48           H        TYR  48 -26.645 -12.433  -8.250
  370    HA   TYR  48           HA       TYR  48 -27.215  -9.961  -6.884
  371   1HB   TYR  48          1HB       TYR  48 -29.005 -11.337  -8.820
  372   2HB   TYR  48          2HB       TYR  48 -29.752 -11.232  -7.239
  373    HD1  TYR  48          2HD       TYR  48 -29.845  -8.885  -6.125
  374    HD2  TYR  48          1HD       TYR  48 -29.071  -9.503 -10.287
  375    HE1  TYR  48          2HE       TYR  48 -30.531  -6.487  -6.616
  376    HE2  TYR  48          1HE       TYR  48 -29.760  -7.103 -10.764
  377    HH   TYR  48           HH       TYR  48 -29.748  -4.819  -8.880
  378    H    GLY  49           H        GLY  49 -26.087 -11.018  -5.149
  379   1HA   GLY  49          1HA       GLY  49 -27.409 -12.105  -3.145
  380   2HA   GLY  49          2HA       GLY  49 -27.221 -13.523  -4.158
  381    H    ILE  50           H        ILE  50 -24.690 -13.215  -5.291
  382    HA   ILE  50           HA       ILE  50 -23.018 -13.354  -2.890
  383    HB   ILE  50           HB       ILE  50 -22.884 -14.676  -5.588
  384   1HG1  ILE  50          1HG1      ILE  50 -22.429 -16.530  -3.574
  385   2HG1  ILE  50          2HG1      ILE  50 -23.618 -15.459  -2.861
  386   1HG2  ILE  50          2HG2      ILE  50 -20.686 -14.536  -3.506
  387   2HG2  ILE  50          3HG2      ILE  50 -20.712 -15.636  -4.906
  388   3HG2  ILE  50          1HG2      ILE  50 -20.642 -13.875  -5.159
  389   1HD1  ILE  50          2HD1      ILE  50 -24.578 -15.775  -5.464
  390   2HD1  ILE  50          3HD1      ILE  50 -23.923 -17.383  -5.074
  391   3HD1  ILE  50          1HD1      ILE  50 -25.164 -16.651  -4.029
  392    H    LYS  51           H        LYS  51 -20.712 -12.589  -3.170
  393    HA   LYS  51           HA       LYS  51 -20.345 -10.604  -5.232
  394   1HB   LYS  51          1HB       LYS  51 -21.220  -9.880  -2.552
  395   2HB   LYS  51          2HB       LYS  51 -19.657  -9.179  -2.919
  396   1HG   LYS  51          1HG       LYS  51 -20.487  -8.063  -4.879
  397   2HG   LYS  51          2HG       LYS  51 -21.941  -9.039  -4.923
  398   1HD   LYS  51          1HD       LYS  51 -22.945  -7.883  -3.124
  399   2HD   LYS  51          2HD       LYS  51 -21.409  -7.340  -2.478
  400   1HE   LYS  51          1HE       LYS  51 -21.341  -6.121  -4.936
  401   2HE   LYS  51          2HE       LYS  51 -23.073  -6.160  -4.669
  402   1HZ   LYS  51          1HZ       LYS  51 -21.243  -5.207  -2.594
  403   2HZ   LYS  51          2HZ       LYS  51 -21.803  -4.210  -3.760
  404   3HZ   LYS  51          3HZ       LYS  51 -22.846  -4.932  -2.733
  405    H    LYS  52           H        LYS  52 -18.054  -9.648  -5.038
  406    HA   LYS  52           HA       LYS  52 -16.303 -11.870  -4.454
  407   1HB   LYS  52          1HB       LYS  52 -16.383  -9.840  -6.387
  408   2HB   LYS  52          2HB       LYS  52 -15.012  -9.431  -5.376
  409   1HG   LYS  52          1HG       LYS  52 -14.098 -11.728  -5.642
  410   2HG   LYS  52          2HG       LYS  52 -15.494 -12.190  -6.596
  411   1HD   LYS  52          1HD       LYS  52 -14.756 -10.042  -8.052
  412   2HD   LYS  52          2HD       LYS  52 -13.193 -10.392  -7.342
  413   1HE   LYS  52          1HE       LYS  52 -13.351 -12.754  -8.170
  414   2HE   LYS  52          2HE       LYS  52 -14.909 -12.396  -8.888
  415   1HZ   LYS  52          3HZ       LYS  52 -12.391 -11.043  -9.576
  416   2HZ   LYS  52          1HZ       LYS  52 -13.118 -12.200 -10.471
  417   3HZ   LYS  52          2HZ       LYS  52 -13.843 -10.751 -10.263
  418    H    LEU  53           H        LEU  53 -14.335 -11.625  -3.141
  419    HA   LEU  53           HA       LEU  53 -14.762  -9.660  -0.999
  420   1HB   LEU  53          1HB       LEU  53 -14.728 -12.455  -0.862
  421   2HB   LEU  53          2HB       LEU  53 -13.166 -11.954  -0.247
  422    HG   LEU  53           HG       LEU  53 -14.843 -12.232   1.529
  423   1HD1  LEU  53          1HD1      LEU  53 -12.928 -10.437   1.479
  424   2HD1  LEU  53          2HD1      LEU  53 -14.288  -9.288   1.457
  425   3HD1  LEU  53          3HD1      LEU  53 -14.128 -10.452   2.794
  426   1HD2  LEU  53          2HD2      LEU  53 -16.760 -11.445   0.013
  427   2HD2  LEU  53          3HD2      LEU  53 -16.800 -10.969   1.727
  428   3HD2  LEU  53          1HD2      LEU  53 -16.285  -9.797   0.489
  429    H    GLN  54           H        GLN  54 -13.524  -8.410  -2.859
  430    HA   GLN  54           HA       GLN  54 -10.723  -9.052  -2.842
  431   1HB   GLN  54          1HB       GLN  54 -11.626  -8.387  -4.974
  432   2HB   GLN  54          2HB       GLN  54 -12.396  -6.968  -4.293
  433   1HG   GLN  54          1HG       GLN  54 -10.451  -5.731  -4.300
  434   2HG   GLN  54          2HG       GLN  54  -9.452  -7.099  -3.848
  435   1HE2  GLN  54          2HE2      GLN  54 -10.162  -6.101  -7.777
  436   2HE2  GLN  54          1HE2      GLN  54 -11.030  -5.396  -6.454
  437    H    ILE  55           H        ILE  55  -9.094  -7.844  -1.821
  438    HA   ILE  55           HA       ILE  55  -9.884  -5.401  -0.464
  439    HB   ILE  55           HB       ILE  55  -9.451  -6.069   1.674
  440   1HG1  ILE  55          1HG1      ILE  55  -7.218  -7.152   0.909
  441   2HG1  ILE  55          2HG1      ILE  55  -7.964  -7.674   2.406
  442   1HG2  ILE  55          1HG2      ILE  55 -11.489  -7.165   0.814
  443   2HG2  ILE  55          2HG2      ILE  55 -10.529  -8.617   0.437
  444   3HG2  ILE  55          3HG2      ILE  55 -10.715  -8.086   2.126
  445   1HD1  ILE  55          1HD1      ILE  55  -8.259  -9.075  -0.293
  446   2HD1  ILE  55          2HD1      ILE  55  -7.229  -9.618   1.054
  447   3HD1  ILE  55          3HD1      ILE  55  -9.000  -9.610   1.235
  448    H    GLN  56           H        GLN  56  -8.121  -3.983  -0.081
  449    HA   GLN  56           HA       GLN  56  -5.673  -4.903  -1.374
  450   1HB   GLN  56          1HB       GLN  56  -6.861  -3.124  -2.639
  451   2HB   GLN  56          2HB       GLN  56  -6.822  -2.080  -1.231
  452   1HG   GLN  56          1HG       GLN  56  -4.935  -1.314  -2.373
  453   2HG   GLN  56          2HG       GLN  56  -4.202  -2.510  -1.322
  454   1HE2  GLN  56          2HE2      GLN  56  -3.009  -4.559  -3.839
  455   2HE2  GLN  56          1HE2      GLN  56  -3.089  -4.124  -2.164
  456    H    CYS  57           H        CYS  57  -3.655  -4.413  -0.374
  457    HA   CYS  57           HA       CYS  57  -3.842  -3.085   2.215
  458   1HB   CYS  57          1HB       CYS  57  -2.258  -4.844   3.137
  459   2HB   CYS  57          2HB       CYS  57  -3.921  -5.345   2.903
  460    HG   CYS  57           HG       CYS  57  -1.286  -5.825   0.959
  461    H    VAL  58           H        VAL  58  -1.309  -2.911   3.012
  462    HA   VAL  58           HA       VAL  58   0.324  -2.316   0.658
  463    HB   VAL  58           HB       VAL  58  -0.045  -0.454   3.011
  464   1HG1  VAL  58          1HG1      VAL  58   1.848  -0.591   0.773
  465   2HG1  VAL  58          2HG1      VAL  58   1.020   0.980   0.901
  466   3HG1  VAL  58          3HG1      VAL  58   1.928   0.336   2.290
  467   1HG2  VAL  58          3HG2      VAL  58  -1.316  -0.471   0.269
  468   2HG2  VAL  58          1HG2      VAL  58  -2.092  -0.310   1.863
  469   3HG2  VAL  58          2HG2      VAL  58  -1.123   1.030   1.206
  470    H    VAL  59           H        VAL  59   1.433  -4.308   1.149
  471    HA   VAL  59           HA       VAL  59   2.646  -4.534   3.758
  472    HB   VAL  59           HB       VAL  59   3.281  -6.682   3.084
  473   1HG1  VAL  59          3HG1      VAL  59   0.667  -5.923   2.989
  474   2HG1  VAL  59          1HG1      VAL  59   0.857  -6.675   1.387
  475   3HG1  VAL  59          2HG1      VAL  59   1.230  -7.606   2.857
  476   1HG2  VAL  59          1HG2      VAL  59   2.828  -5.810   0.212
  477   2HG2  VAL  59          2HG2      VAL  59   4.390  -6.159   0.990
  478   3HG2  VAL  59          3HG2      VAL  59   3.213  -7.468   0.728
  479    H    GLU  60           H        GLU  60   5.131  -5.282   3.620
  480    HA   GLU  60           HA       GLU  60   6.429  -2.983   2.518
  481   1HB   GLU  60          1HB       GLU  60   6.926  -4.901   4.647
  482   2HB   GLU  60          2HB       GLU  60   8.347  -4.780   3.628
  483   1HG   GLU  60          1HG       GLU  60   6.900  -2.301   4.645
  484   2HG   GLU  60          2HG       GLU  60   8.136  -3.097   5.599
  485    H    ASP  61           H        ASP  61   8.728  -3.435   1.460
  486    HA   ASP  61           HA       ASP  61   8.272  -4.568  -0.971
  487   1HB   ASP  61          1HB       ASP  61  10.340  -3.178   0.263
  488   2HB   ASP  61          2HB       ASP  61  11.086  -4.740  -0.014
  489    H    ASP  62           H        ASP  62  10.523  -5.846   1.610
  490    HA   ASP  62           HA       ASP  62   9.657  -8.517   0.853
  491   1HB   ASP  62          1HB       ASP  62  11.910  -7.936  -0.157
  492   2HB   ASP  62          2HB       ASP  62  12.533  -7.683   1.461
  493    H    LYS  63           H        LYS  63   9.068  -6.523   3.101
  494    HA   LYS  63           HA       LYS  63  10.339  -7.847   5.369
  495   1HB   LYS  63          1HB       LYS  63   9.985  -5.222   4.899
  496   2HB   LYS  63          2HB       LYS  63   8.477  -5.548   5.729
  497   1HG   LYS  63          1HG       LYS  63   9.661  -5.332   7.662
  498   2HG   LYS  63          2HG       LYS  63  10.312  -6.921   7.311
  499   1HD   LYS  63          1HD       LYS  63  11.815  -5.042   5.741
  500   2HD   LYS  63          2HD       LYS  63  11.691  -4.371   7.355
  501   1HE   LYS  63          1HE       LYS  63  12.251  -7.030   7.915
  502   2HE   LYS  63          2HE       LYS  63  13.142  -6.797   6.423
  503   1HZ   LYS  63          1HZ       LYS  63  13.557  -4.573   8.021
  504   2HZ   LYS  63          2HZ       LYS  63  13.795  -5.890   8.958
  505   3HZ   LYS  63          3HZ       LYS  63  14.644  -5.707   7.574
  506    H    VAL  64           H        VAL  64   7.096  -7.064   3.973
  507    HA   VAL  64           HA       VAL  64   6.058  -9.299   5.568
  508    HB   VAL  64           HB       VAL  64   4.835  -6.588   5.047
  509   1HG1  VAL  64          2HG1      VAL  64   3.473  -9.065   5.148
  510   2HG1  VAL  64          3HG1      VAL  64   3.199  -8.276   6.719
  511   3HG1  VAL  64          1HG1      VAL  64   2.776  -7.428   5.211
  512   1HG2  VAL  64          3HG2      VAL  64   5.999  -7.987   7.407
  513   2HG2  VAL  64          1HG2      VAL  64   6.000  -6.260   6.978
  514   3HG2  VAL  64          2HG2      VAL  64   4.544  -7.000   7.686
  515    H    GLY  65           H        GLY  65   4.763 -10.761   4.465
  516   1HA   GLY  65          1HA       GLY  65   4.125 -10.094   1.661
  517   2HA   GLY  65          2HA       GLY  65   4.935 -11.590   2.076
  518    H    THR  66           H        THR  66   2.610 -11.945   0.771
  519    HA   THR  66           HA       THR  66   0.366 -12.045   2.556
  520    HB   THR  66           HB       THR  66   0.914 -13.074  -0.276
  521    HG1  THR  66          1HG       THR  66  -0.624 -11.151  -0.542
  522   1HG2  THR  66          3HG2      THR  66  -1.317 -13.622   1.526
  523   2HG2  THR  66          1HG2      THR  66  -1.859 -12.568   0.197
  524   3HG2  THR  66          2HG2      THR  66  -1.105 -14.138  -0.165
  525    H    ASP  67           H        ASP  67   2.258 -13.286   3.991
  526    HA   ASP  67           HA       ASP  67   1.890 -16.113   3.470
  527   1HB   ASP  67          1HB       ASP  67   3.570 -16.207   5.504
  528   2HB   ASP  67          2HB       ASP  67   4.160 -15.773   3.912
  529    H    MET  68           H        MET  68   1.906 -13.735   6.243
  530    HA   MET  68           HA       MET  68   0.495 -15.488   7.929
  531   1HB   MET  68          1HB       MET  68   2.009 -13.182   8.228
  532   2HB   MET  68          2HB       MET  68   0.396 -12.533   8.450
  533   1HG   MET  68          1HG       MET  68   1.284 -15.032   9.944
  534   2HG   MET  68          2HG       MET  68   1.678 -13.437  10.553
  535   1HE   MET  68          1HE       MET  68  -0.006 -11.579  10.314
  536   2HE   MET  68          2HE       MET  68  -1.511 -11.952   9.441
  537   3HE   MET  68          3HE       MET  68  -1.543 -11.705  11.204
  538    H    LEU  69           H        LEU  69  -0.413 -12.561   6.001
  539    HA   LEU  69           HA       LEU  69  -3.023 -12.341   6.862
  540   1HB   LEU  69          1HB       LEU  69  -1.920 -11.753   4.113
  541   2HB   LEU  69          2HB       LEU  69  -3.403 -11.116   4.794
  542    HG   LEU  69           HG       LEU  69  -1.005 -10.586   6.427
  543   1HD1  LEU  69          2HD1      LEU  69  -0.818 -10.190   3.601
  544   2HD1  LEU  69          3HD1      LEU  69  -0.901  -8.603   4.400
  545   3HD1  LEU  69          1HD1      LEU  69   0.351  -9.774   4.876
  546   1HD2  LEU  69          2HD2      LEU  69  -3.600  -9.426   5.856
  547   2HD2  LEU  69          3HD2      LEU  69  -2.514  -9.174   7.242
  548   3HD2  LEU  69          1HD2      LEU  69  -2.308  -8.205   5.764
  549    H    GLU  70           H        GLU  70  -1.571 -14.428   4.310
  550    HA   GLU  70           HA       GLU  70  -3.953 -15.354   3.283
  551   1HB   GLU  70          1HB       GLU  70  -1.658 -15.659   2.288
  552   2HB   GLU  70          2HB       GLU  70  -1.315 -16.868   3.508
  553   1HG   GLU  70          1HG       GLU  70  -3.717 -17.808   2.544
  554   2HG   GLU  70          2HG       GLU  70  -3.075 -17.046   1.102
  555    H    GLU  71           H        GLU  71  -1.797 -16.830   5.814
  556    HA   GLU  71           HA       GLU  71  -3.519 -18.949   6.327
  557   1HB   GLU  71          1HB       GLU  71  -1.108 -17.739   7.589
  558   2HB   GLU  71          2HB       GLU  71  -2.126 -18.656   8.682
  559   1HG   GLU  71          1HG       GLU  71  -2.101 -20.522   6.861
  560   2HG   GLU  71          2HG       GLU  71  -0.786 -19.628   6.127
  561    H    GLN  72           H        GLN  72  -3.924 -15.628   6.901
  562    HA   GLN  72           HA       GLN  72  -5.492 -16.085   9.295
  563   1HB   GLN  72          1HB       GLN  72  -4.688 -13.490   7.905
  564   2HB   GLN  72          2HB       GLN  72  -5.594 -13.584   9.403
  565   1HG   GLN  72          1HG       GLN  72  -3.118 -15.206   9.458
  566   2HG   GLN  72          2HG       GLN  72  -2.807 -13.504   9.182
  567   1HE2  GLN  72          2HE2      GLN  72  -3.895 -14.930  12.821
  568   2HE2  GLN  72          1HE2      GLN  72  -3.611 -15.912  11.423
  569    H    ILE  73           H        ILE  73  -5.737 -14.729   5.945
  570    HA   ILE  73           HA       ILE  73  -8.531 -14.275   6.154
  571    HB   ILE  73           HB       ILE  73  -6.794 -14.500   3.695
  572   1HG1  ILE  73          1HG1      ILE  73  -7.493 -11.865   4.914
  573   2HG1  ILE  73          2HG1      ILE  73  -6.234 -12.806   5.690
  574   1HG2  ILE  73          1HG2      ILE  73  -9.615 -13.970   4.107
  575   2HG2  ILE  73          2HG2      ILE  73  -8.805 -12.602   3.309
  576   3HG2  ILE  73          3HG2      ILE  73  -8.707 -14.231   2.599
  577   1HD1  ILE  73          3HD1      ILE  73  -6.042 -12.664   2.716
  578   2HD1  ILE  73          1HD1      ILE  73  -5.784 -11.128   3.579
  579   3HD1  ILE  73          2HD1      ILE  73  -4.763 -12.539   3.946
  580    H    THR  74           H        THR  74  -6.502 -16.796   4.508
  581    HA   THR  74           HA       THR  74  -8.818 -18.329   3.813
  582    HB   THR  74           HB       THR  74  -7.182 -19.769   2.774
  583    HG1  THR  74          1HG       THR  74  -5.417 -18.379   4.664
  584   1HG2  THR  74          3HG2      THR  74  -7.150 -17.218   2.025
  585   2HG2  THR  74          1HG2      THR  74  -5.575 -17.195   2.854
  586   3HG2  THR  74          2HG2      THR  74  -5.844 -18.299   1.485
  587    H    ALA  75           H        ALA  75  -7.426 -17.705   6.770
  588    HA   ALA  75           HA       ALA  75  -7.254 -20.286   7.870
  589   1HB   ALA  75          1HB       ALA  75  -6.834 -17.597   8.658
  590   2HB   ALA  75          2HB       ALA  75  -8.031 -18.264   9.794
  591   3HB   ALA  75          3HB       ALA  75  -6.458 -19.070   9.583
  592    H    PHE  76           H        PHE  76  -9.914 -18.498   6.672
  593    HA   PHE  76           HA       PHE  76 -11.748 -19.952   8.439
  594   1HB   PHE  76          1HB       PHE  76 -11.603 -17.273   7.134
  595   2HB   PHE  76          2HB       PHE  76 -13.147 -18.056   6.859
  596    HD1  PHE  76          2HD       PHE  76 -13.857 -19.364   9.267
  597    HD2  PHE  76          1HD       PHE  76 -11.751 -15.708   8.809
  598    HE1  PHE  76          2HE       PHE  76 -14.633 -18.632  11.539
  599    HE2  PHE  76          1HE       PHE  76 -12.528 -14.976  11.080
  600    HZ   PHE  76           HZ       PHE  76 -13.959 -16.447  12.418
  601    H    GLU  77           H        GLU  77 -11.826 -21.962   7.353
  602    HA   GLU  77           HA       GLU  77 -12.280 -21.947   4.531
  603   1HB   GLU  77          1HB       GLU  77 -11.386 -23.843   6.531
  604   2HB   GLU  77          2HB       GLU  77 -12.713 -24.554   5.633
  605   1HG   GLU  77          1HG       GLU  77 -11.389 -23.577   3.520
  606   2HG   GLU  77          2HG       GLU  77 -10.024 -23.612   4.620
  607    H    ASP  78           H        ASP  78 -14.203 -21.389   7.227
  608    HA   ASP  78           HA       ASP  78 -16.484 -22.784   6.118
  609   1HB   ASP  78          1HB       ASP  78 -15.619 -22.058   8.761
  610   2HB   ASP  78          2HB       ASP  78 -17.101 -21.173   8.455
  611    H    TYR  79           H        TYR  79 -15.040 -20.242   5.048
  612    HA   TYR  79           HA       TYR  79 -17.452 -18.729   4.580
  613   1HB   TYR  79          1HB       TYR  79 -15.013 -17.860   6.199
  614   2HB   TYR  79          2HB       TYR  79 -15.832 -16.651   5.230
  615    HD1  TYR  79          1HD       TYR  79 -16.328 -19.085   8.003
  616    HD2  TYR  79          2HD       TYR  79 -17.842 -15.631   5.982
  617    HE1  TYR  79          1HE       TYR  79 -18.016 -18.724   9.870
  618    HE2  TYR  79          2HE       TYR  79 -19.525 -15.283   7.855
  619    HH   TYR  79           HH       TYR  79 -20.319 -17.606  10.019
  620    H    VAL  80           H        VAL  80 -13.865 -19.011   4.216
  621    HA   VAL  80           HA       VAL  80 -13.994 -17.616   1.689
  622    HB   VAL  80           HB       VAL  80 -11.748 -18.889   3.261
  623   1HG1  VAL  80          3HG1      VAL  80 -11.798 -18.318   0.503
  624   2HG1  VAL  80          1HG1      VAL  80 -10.884 -16.989   1.257
  625   3HG1  VAL  80          2HG1      VAL  80 -10.377 -18.676   1.513
  626   1HG2  VAL  80          2HG2      VAL  80 -13.051 -16.276   3.315
  627   2HG2  VAL  80          3HG2      VAL  80 -11.907 -17.008   4.464
  628   3HG2  VAL  80          1HG2      VAL  80 -11.299 -16.152   3.027
  629    H    GLN  81           H        GLN  81 -14.174 -18.566  -0.287
  630    HA   GLN  81           HA       GLN  81 -14.471 -21.414  -0.298
  631   1HB   GLN  81          1HB       GLN  81 -16.012 -19.812  -1.526
  632   2HB   GLN  81          2HB       GLN  81 -14.692 -19.453  -2.622
  633   1HG   GLN  81          1HG       GLN  81 -14.585 -22.116  -2.865
  634   2HG   GLN  81          2HG       GLN  81 -16.241 -22.029  -2.298
  635   1HE2  GLN  81          2HE2      GLN  81 -15.247 -21.142  -6.113
  636   2HE2  GLN  81          1HE2      GLN  81 -14.167 -21.791  -4.926
  637    H    SER  82           H        SER  82 -12.190 -18.911  -1.450
  638    HA   SER  82           HA       SER  82 -10.046 -20.577  -1.470
  639   1HB   SER  82          1HB       SER  82  -9.668 -20.813  -3.992
  640   2HB   SER  82          2HB       SER  82 -10.881 -21.869  -3.295
  641    HG   SER  82           HG       SER  82 -12.009 -21.063  -4.974
  642    H    MET  83           H        MET  83  -8.582 -18.984  -0.979
  643    HA   MET  83           HA       MET  83  -8.998 -16.360  -2.015
  644   1HB   MET  83          1HB       MET  83  -8.223 -16.678   0.308
  645   2HB   MET  83          2HB       MET  83  -6.862 -17.642  -0.228
  646   1HG   MET  83          1HG       MET  83  -6.060 -15.571  -1.541
  647   2HG   MET  83          2HG       MET  83  -7.298 -14.659  -0.701
  648   1HE   MET  83          1HE       MET  83  -4.107 -14.361  -0.790
  649   2HE   MET  83          2HE       MET  83  -3.252 -14.853   0.691
  650   3HE   MET  83          3HE       MET  83  -3.712 -16.075  -0.519
  651    H    ASP  84           H        ASP  84  -7.441 -15.128  -3.284
  652    HA   ASP  84           HA       ASP  84  -5.305 -16.633  -4.467
  653   1HB   ASP  84          1HB       ASP  84  -7.781 -15.743  -5.935
  654   2HB   ASP  84          2HB       ASP  84  -6.250 -15.564  -6.770
  655    H    VAL  85           H        VAL  85  -4.495 -14.861  -6.452
  656    HA   VAL  85           HA       VAL  85  -4.224 -12.347  -4.963
  657    HB   VAL  85           HB       VAL  85  -2.204 -13.782  -5.400
  658   1HG1  VAL  85          2HG1      VAL  85  -3.143 -14.202  -7.860
  659   2HG1  VAL  85          3HG1      VAL  85  -2.140 -12.775  -8.214
  660   3HG1  VAL  85          1HG1      VAL  85  -1.400 -14.227  -7.497
  661   1HG2  VAL  85          2HG2      VAL  85  -2.347 -11.174  -5.105
  662   2HG2  VAL  85          3HG2      VAL  85  -0.816 -11.941  -5.590
  663   3HG2  VAL  85          1HG2      VAL  85  -1.843 -11.154  -6.812
  664    H    ALA  86           H        ALA  86  -4.798 -10.406  -5.914
  665    HA   ALA  86           HA       ALA  86  -6.300 -10.669  -8.392
  666   1HB   ALA  86          2HB       ALA  86  -6.181  -8.747  -6.087
  667   2HB   ALA  86          3HB       ALA  86  -6.754  -8.148  -7.662
  668   3HB   ALA  86          1HB       ALA  86  -7.591  -9.503  -6.867
  669    H    ALA  87           H        ALA  87  -3.264  -9.436  -7.086
  670    HA   ALA  87           HA       ALA  87  -2.146  -9.079  -9.604
  671   1HB   ALA  87          1HB       ALA  87  -3.088  -6.507  -8.270
  672   2HB   ALA  87          2HB       ALA  87  -1.980  -6.595  -9.660
  673   3HB   ALA  87          3HB       ALA  87  -3.658  -7.164  -9.823
  674    H    PHE  88           H        PHE  88   0.082  -8.027  -9.402
  675    HA   PHE  88           HA       PHE  88   1.003  -7.942  -6.640
  676   1HB   PHE  88          1HB       PHE  88   1.389 -10.075  -8.613
  677   2HB   PHE  88          2HB       PHE  88   2.939  -9.315  -8.309
  678    HD1  PHE  88          2HD       PHE  88   3.216  -8.800  -5.605
  679    HD2  PHE  88          1HD       PHE  88   1.015 -11.968  -7.372
  680    HE1  PHE  88          2HE       PHE  88   3.465 -10.146  -3.500
  681    HE2  PHE  88          1HE       PHE  88   1.265 -13.314  -5.268
  682    HZ   PHE  88           HZ       PHE  88   2.486 -12.387  -3.358
  683    H    ASN  89           H        ASN  89   1.555  -5.762  -6.708
  684    HA   ASN  89           HA       ASN  89   3.836  -5.180  -8.337
  685   1HB   ASN  89          1HB       ASN  89   1.146  -3.797  -8.665
  686   2HB   ASN  89          2HB       ASN  89   2.620  -2.893  -8.954
  687   1HD2  ASN  89          2HD2      ASN  89   3.614  -4.624 -11.877
  688   2HD2  ASN  89          1HD2      ASN  89   4.155  -3.719 -10.503
  689    H    LYS  90           H        LYS  90   4.511  -2.715  -7.751
  690    HA   LYS  90           HA       LYS  90   4.500  -2.590  -4.887
  691   1HB   LYS  90          1HB       LYS  90   5.998  -1.368  -7.124
  692   2HB   LYS  90          2HB       LYS  90   5.783  -0.327  -5.732
  693   1HG   LYS  90          1HG       LYS  90   7.137  -1.612  -4.389
  694   2HG   LYS  90          2HG       LYS  90   6.525  -3.122  -5.037
  695   1HD   LYS  90          1HD       LYS  90   7.909  -1.985  -7.209
  696   2HD   LYS  90          2HD       LYS  90   8.909  -1.579  -5.828
  697   1HE   LYS  90          1HE       LYS  90   9.404  -3.805  -5.344
  698   2HE   LYS  90          2HE       LYS  90   7.865  -4.395  -5.939
  699   1HZ   LYS  90          3HZ       LYS  90   9.135  -3.317  -8.105
  700   2HZ   LYS  90          1HZ       LYS  90  10.296  -4.149  -7.316
  701   3HZ   LYS  90          2HZ       LYS  90   8.925  -4.904  -7.782
  702    H    ILE  91           H        ILE  91   4.238  -0.281  -3.940
  703    HA   ILE  91           HA       ILE  91   1.692   0.860  -4.993
  704    HB   ILE  91           HB       ILE  91   1.286  -0.413  -2.944
  705   1HG1  ILE  91          1HG1      ILE  91   1.247   2.238  -1.695
  706   2HG1  ILE  91          2HG1      ILE  91   0.669   2.284  -3.378
  707   1HG2  ILE  91          1HG2      ILE  91   3.856   0.210  -2.274
  708   2HG2  ILE  91          2HG2      ILE  91   2.971   1.389  -1.276
  709   3HG2  ILE  91          3HG2      ILE  91   2.642  -0.352  -1.099
  710   1HD1  ILE  91          2HD1      ILE  91  -0.299   0.083  -1.561
  711   2HD1  ILE  91          3HD1      ILE  91  -1.002   1.709  -1.396
  712   3HD1  ILE  91          1HD1      ILE  91  -1.113   0.846  -2.947
   
  No H/Q in entry =         712
  Start of MODEL   13
    1   1H    MET   1          3HN       MET   1  14.136   4.453   5.020
    2   2H    MET   1           H        MET   1  14.541   5.961   5.575
    3   3H    MET   1          2HN       MET   1  15.690   5.003   4.863
    4    HA   MET   1           HA       MET   1  16.187   3.990   6.692
    5   1HB   MET   1          1HB       MET   1  14.385   6.233   7.621
    6   2HB   MET   1          2HB       MET   1  15.131   5.115   8.789
    7   1HG   MET   1          1HG       MET   1  17.342   5.608   7.539
    8   2HG   MET   1          2HG       MET   1  16.481   6.983   6.827
    9   1HE   MET   1          2HE       MET   1  18.733   5.763   8.914
   10   2HE   MET   1          3HE       MET   1  19.276   7.307   9.614
   11   3HE   MET   1          1HE       MET   1  18.402   6.131  10.624
   12    H    LEU   2           H        LEU   2  12.691   4.255   6.013
   13    HA   LEU   2           HA       LEU   2  12.358   1.543   6.787
   14   1HB   LEU   2          1HB       LEU   2  12.262   3.152   8.927
   15   2HB   LEU   2          2HB       LEU   2  10.600   3.316   8.395
   16    HG   LEU   2           HG       LEU   2  11.828   0.589   8.753
   17   1HD1  LEU   2          3HD1      LEU   2  11.762   2.424  10.820
   18   2HD1  LEU   2          1HD1      LEU   2  10.253   1.504  11.036
   19   3HD1  LEU   2          2HD1      LEU   2  11.816   0.653  10.981
   20   1HD2  LEU   2          2HD2      LEU   2   9.041   1.713   8.612
   21   2HD2  LEU   2          3HD2      LEU   2   9.781   0.393   7.674
   22   3HD2  LEU   2          1HD2      LEU   2   9.360   0.143   9.386
   23    H    VAL   3           H        VAL   3  12.119   2.612   4.322
   24    HA   VAL   3           HA       VAL   3   9.205   2.766   3.995
   25    HB   VAL   3           HB       VAL   3  10.632   4.928   3.686
   26   1HG1  VAL   3          2HG1      VAL   3  12.345   3.890   2.243
   27   2HG1  VAL   3          3HG1      VAL   3  11.099   3.563   1.013
   28   3HG1  VAL   3          1HG1      VAL   3  11.519   5.242   1.431
   29   1HG2  VAL   3          2HG2      VAL   3   8.202   3.988   2.634
   30   2HG2  VAL   3          3HG2      VAL   3   8.741   5.680   2.767
   31   3HG2  VAL   3          1HG2      VAL   3   9.038   4.766   1.269
   32    H    ALA   4           H        ALA   4   8.966   2.518   1.295
   33    HA   ALA   4           HA       ALA   4   9.400   1.232  -0.512
   34   1HB   ALA   4          3HB       ALA   4  11.815   1.047   0.573
   35   2HB   ALA   4          1HB       ALA   4  11.262  -0.593   0.987
   36   3HB   ALA   4          2HB       ALA   4  11.307  -0.072  -0.714
   37    H    LYS   5           H        LYS   5   7.119   0.786   0.066
   38    HA   LYS   5           HA       LYS   5   6.844  -1.946   1.112
   39   1HB   LYS   5          1HB       LYS   5   5.071   0.471   1.527
   40   2HB   LYS   5          2HB       LYS   5   4.533  -1.166   1.836
   41   1HG   LYS   5          1HG       LYS   5   7.087  -0.943   3.091
   42   2HG   LYS   5          2HG       LYS   5   6.237   0.541   3.476
   43   1HD   LYS   5          1HD       LYS   5   5.083  -2.261   3.871
   44   2HD   LYS   5          2HD       LYS   5   5.821  -1.306   5.141
   45   1HE   LYS   5          1HE       LYS   5   3.507  -0.201   3.504
   46   2HE   LYS   5          2HE       LYS   5   3.217  -1.232   4.891
   47   1HZ   LYS   5          1HZ       LYS   5   4.759   1.271   4.938
   48   2HZ   LYS   5          2HZ       LYS   5   3.236   1.081   5.497
   49   3HZ   LYS   5          3HZ       LYS   5   4.475   0.312   6.231
   50    H    SER   6           H        SER   6   4.630  -2.919   0.303
   51    HA   SER   6           HA       SER   6   4.193  -2.041  -2.431
   52   1HB   SER   6          1HB       SER   6   5.675  -3.879  -2.764
   53   2HB   SER   6          2HB       SER   6   4.934  -4.828  -1.490
   54    HG   SER   6           HG       SER   6   3.336  -5.471  -2.817
   55    H    SER   7           H        SER   7   2.147  -3.337  -3.344
   56    HA   SER   7           HA       SER   7   0.289  -3.720  -1.135
   57   1HB   SER   7          1HB       SER   7  -0.320  -1.564  -1.912
   58   2HB   SER   7          2HB       SER   7  -0.017  -1.972  -3.589
   59    HG   SER   7           HG       SER   7  -2.019  -2.716  -3.791
   60    H    ILE   8           H        ILE   8  -0.898  -5.611  -1.308
   61    HA   ILE   8           HA       ILE   8  -0.850  -6.925  -3.936
   62    HB   ILE   8           HB       ILE   8  -0.777  -8.249  -1.224
   63   1HG1  ILE   8          1HG1      ILE   8   1.321  -7.158  -1.491
   64   2HG1  ILE   8          2HG1      ILE   8   1.568  -8.854  -1.858
   65   1HG2  ILE   8          3HG2      ILE   8  -1.872  -9.434  -3.219
   66   2HG2  ILE   8          1HG2      ILE   8  -0.229  -9.537  -3.893
   67   3HG2  ILE   8          2HG2      ILE   8  -0.599 -10.301  -2.328
   68   1HD1  ILE   8          1HD1      ILE   8   0.892  -7.831  -4.350
   69   2HD1  ILE   8          2HD1      ILE   8   1.814  -6.494  -3.623
   70   3HD1  ILE   8          3HD1      ILE   8   2.553  -8.105  -3.772
   71    H    LEU   9           H        LEU   9  -2.825  -6.950  -4.850
   72    HA   LEU   9           HA       LEU   9  -5.129  -6.657  -3.100
   73   1HB   LEU   9          1HB       LEU   9  -4.824  -5.163  -5.033
   74   2HB   LEU   9          2HB       LEU   9  -4.886  -6.545  -6.110
   75    HG   LEU   9           HG       LEU   9  -7.224  -6.993  -5.100
   76   1HD1  LEU   9          2HD1      LEU   9  -6.498  -4.473  -3.779
   77   2HD1  LEU   9          3HD1      LEU   9  -8.086  -4.442  -4.582
   78   3HD1  LEU   9          1HD1      LEU   9  -7.732  -5.684  -3.358
   79   1HD2  LEU   9          3HD2      LEU   9  -6.600  -6.073  -7.406
   80   2HD2  LEU   9          1HD2      LEU   9  -8.251  -5.766  -6.812
   81   3HD2  LEU   9          2HD2      LEU   9  -7.026  -4.475  -6.749
   82    H    LEU  10           H        LEU  10  -5.830  -8.535  -2.209
   83    HA   LEU  10           HA       LEU  10  -5.623 -10.960  -3.800
   84   1HB   LEU  10          1HB       LEU  10  -6.086 -10.336  -0.905
   85   2HB   LEU  10          2HB       LEU  10  -6.546 -11.900  -1.548
   86    HG   LEU  10           HG       LEU  10  -4.176 -12.187  -2.356
   87   1HD1  LEU  10          3HD1      LEU  10  -3.663  -9.720  -2.324
   88   2HD1  LEU  10          1HD1      LEU  10  -3.537  -9.844  -0.553
   89   3HD1  LEU  10          2HD1      LEU  10  -2.429 -10.772  -1.591
   90   1HD2  LEU  10          2HD2      LEU  10  -5.163 -13.103  -0.195
   91   2HD2  LEU  10          3HD2      LEU  10  -3.388 -12.998  -0.291
   92   3HD2  LEU  10          1HD2      LEU  10  -4.304 -11.783   0.634
   93    H    ASP  11           H        ASP  11  -7.435 -12.271  -4.340
   94    HA   ASP  11           HA       ASP  11  -9.962 -10.837  -4.089
   95   1HB   ASP  11          1HB       ASP  11  -9.307 -10.734  -6.411
   96   2HB   ASP  11          2HB       ASP  11  -8.794 -12.409  -6.418
   97    H    VAL  12           H        VAL  12 -10.719 -12.095  -2.288
   98    HA   VAL  12           HA       VAL  12 -10.569 -14.990  -2.510
   99    HB   VAL  12           HB       VAL  12 -11.566 -13.179  -0.301
  100   1HG1  VAL  12          1HG1      VAL  12 -12.546 -15.492  -0.334
  101   2HG1  VAL  12          2HG1      VAL  12 -10.894 -16.135  -0.167
  102   3HG1  VAL  12          3HG1      VAL  12 -11.589 -15.117   1.119
  103   1HG2  VAL  12          1HG2      VAL  12  -9.123 -12.976  -0.843
  104   2HG2  VAL  12          2HG2      VAL  12  -9.465 -13.563   0.803
  105   3HG2  VAL  12          3HG2      VAL  12  -8.948 -14.706  -0.460
  106    H    LYS  13           H        LYS  13 -12.461 -16.348  -2.421
  107    HA   LYS  13           HA       LYS  13 -14.867 -14.934  -3.339
  108   1HB   LYS  13          1HB       LYS  13 -13.391 -16.788  -4.733
  109   2HB   LYS  13          2HB       LYS  13 -14.617 -17.798  -3.994
  110   1HG   LYS  13          1HG       LYS  13 -16.132 -17.081  -5.516
  111   2HG   LYS  13          2HG       LYS  13 -15.959 -15.441  -4.921
  112   1HD   LYS  13          1HD       LYS  13 -14.149 -14.973  -6.475
  113   2HD   LYS  13          2HD       LYS  13 -14.003 -16.662  -6.917
  114   1HE   LYS  13          1HE       LYS  13 -16.189 -16.642  -8.015
  115   2HE   LYS  13          2HE       LYS  13 -16.547 -15.042  -7.397
  116   1HZ   LYS  13          1HZ       LYS  13 -14.271 -14.590  -8.651
  117   2HZ   LYS  13          2HZ       LYS  13 -14.846 -15.804  -9.581
  118   3HZ   LYS  13          3HZ       LYS  13 -15.730 -14.447  -9.371
  119    HA   PRO  14           HA       PRO  14 -16.658 -16.518   0.277
  120   1HB   PRO  14          1HB       PRO  14 -19.240 -15.745  -0.171
  121   2HB   PRO  14          2HB       PRO  14 -18.020 -14.674   0.488
  122   1HG   PRO  14          1HG       PRO  14 -19.156 -14.731  -2.241
  123   2HG   PRO  14          2HG       PRO  14 -18.276 -13.441  -1.444
  124   1HD   PRO  14          1HD       PRO  14 -17.259 -15.235  -3.438
  125   2HD   PRO  14          2HD       PRO  14 -16.351 -14.022  -2.559
  126    H    TRP  15           H        TRP  15 -17.725 -18.303   1.127
  127    HA   TRP  15           HA       TRP  15 -17.870 -20.462  -0.600
  128   1HB   TRP  15          1HB       TRP  15 -18.489 -19.881   2.192
  129   2HB   TRP  15          2HB       TRP  15 -19.558 -21.086   1.504
  130    HD1  TRP  15           HD       TRP  15 -16.744 -21.296   3.543
  131    HE1  TRP  15          1HE       TRP  15 -15.099 -23.317   3.119
  132    HE3  TRP  15          3HE       TRP  15 -18.398 -22.342  -1.151
  133    HZ2  TRP  15          2HZ       TRP  15 -14.685 -25.086   0.918
  134    HZ3  TRP  15          3HZ       TRP  15 -17.320 -24.232  -2.367
  135    HH2  TRP  15           HH       TRP  15 -15.524 -25.583  -1.407
  136    H    ASP  16           H        ASP  16 -20.143 -17.860   0.170
  137    HA   ASP  16           HA       ASP  16 -21.671 -18.173  -2.007
  138   1HB   ASP  16          1HB       ASP  16 -22.247 -20.293  -0.181
  139   2HB   ASP  16          2HB       ASP  16 -23.599 -19.183  -0.061
  140    H    ASP  17           H        ASP  17 -24.258 -17.428  -1.163
  141    HA   ASP  17           HA       ASP  17 -23.865 -14.850  -0.311
  142   1HB   ASP  17          1HB       ASP  17 -26.154 -14.639  -0.570
  143   2HB   ASP  17          2HB       ASP  17 -25.933 -16.161  -1.411
  144    H    GLU  18           H        GLU  18 -24.148 -17.896   1.430
  145    HA   GLU  18           HA       GLU  18 -25.134 -16.895   3.840
  146   1HB   GLU  18          1HB       GLU  18 -24.413 -19.045   4.783
  147   2HB   GLU  18          2HB       GLU  18 -25.160 -19.300   3.219
  148   1HG   GLU  18          1HG       GLU  18 -22.833 -19.293   2.181
  149   2HG   GLU  18          2HG       GLU  18 -22.163 -19.216   3.799
  150    H    THR  19           H        THR  19 -21.836 -17.260   2.465
  151    HA   THR  19           HA       THR  19 -20.430 -16.693   4.832
  152    HB   THR  19           HB       THR  19 -19.830 -16.511   1.844
  153    HG1  THR  19          1HG       THR  19 -19.047 -18.152   4.151
  154   1HG2  THR  19          2HG2      THR  19 -18.328 -15.288   3.996
  155   2HG2  THR  19          3HG2      THR  19 -17.455 -16.747   3.466
  156   3HG2  THR  19          1HG2      THR  19 -17.848 -15.469   2.291
  157    H    ASP  20           H        ASP  20 -21.111 -14.974   6.039
  158    HA   ASP  20           HA       ASP  20 -22.149 -12.677   5.264
  159   1HB   ASP  20          1HB       ASP  20 -20.969 -13.652   7.593
  160   2HB   ASP  20          2HB       ASP  20 -19.966 -12.259   7.235
  161    H    MET  21           H        MET  21 -21.225 -10.450   4.875
  162    HA   MET  21           HA       MET  21 -18.667 -10.665   3.493
  163   1HB   MET  21          1HB       MET  21 -21.141  -8.913   3.143
  164   2HB   MET  21          2HB       MET  21 -19.607  -8.400   2.466
  165   1HG   MET  21          1HG       MET  21 -19.891 -11.141   1.723
  166   2HG   MET  21          2HG       MET  21 -21.466 -10.418   1.466
  167   1HE   MET  21          1HE       MET  21 -19.000 -11.646  -0.049
  168   2HE   MET  21          2HE       MET  21 -19.770 -11.125  -1.566
  169   3HE   MET  21          3HE       MET  21 -18.130 -10.562  -1.160
  170    H    ALA  22           H        ALA  22 -20.601  -8.772   5.852
  171    HA   ALA  22           HA       ALA  22 -18.783  -6.678   6.193
  172   1HB   ALA  22          1HB       ALA  22 -21.086  -7.875   7.692
  173   2HB   ALA  22          2HB       ALA  22 -20.015  -6.758   8.572
  174   3HB   ALA  22          3HB       ALA  22 -20.850  -6.213   7.098
  175    H    LYS  23           H        LYS  23 -19.349  -9.592   8.303
  176    HA   LYS  23           HA       LYS  23 -17.151  -9.185   9.920
  177   1HB   LYS  23          1HB       LYS  23 -18.853 -11.548   9.203
  178   2HB   LYS  23          2HB       LYS  23 -17.391 -11.812  10.132
  179   1HG   LYS  23          1HG       LYS  23 -18.767  -9.513  11.233
  180   2HG   LYS  23          2HG       LYS  23 -19.925 -10.816  11.060
  181   1HD   LYS  23          1HD       LYS  23 -18.671 -12.290  12.458
  182   2HD   LYS  23          2HD       LYS  23 -17.201 -11.352  12.288
  183   1HE   LYS  23          1HE       LYS  23 -19.542  -9.907  13.481
  184   2HE   LYS  23          2HE       LYS  23 -18.848 -11.182  14.463
  185   1HZ   LYS  23          3HZ       LYS  23 -16.656 -10.080  13.936
  186   2HZ   LYS  23          1HZ       LYS  23 -17.522  -8.792  13.429
  187   3HZ   LYS  23          2HZ       LYS  23 -17.642  -9.297  14.976
  188    H    LEU  24           H        LEU  24 -17.433 -11.368   7.025
  189    HA   LEU  24           HA       LEU  24 -14.854 -12.238   6.958
  190   1HB   LEU  24          1HB       LEU  24 -17.051 -12.569   5.437
  191   2HB   LEU  24          2HB       LEU  24 -16.109 -11.555   4.362
  192    HG   LEU  24           HG       LEU  24 -15.186 -14.189   5.546
  193   1HD1  LEU  24          2HD1      LEU  24 -17.025 -13.845   3.542
  194   2HD1  LEU  24          3HD1      LEU  24 -15.500 -13.984   2.634
  195   3HD1  LEU  24          1HD1      LEU  24 -15.985 -15.273   3.761
  196   1HD2  LEU  24          1HD2      LEU  24 -13.555 -12.167   4.796
  197   2HD2  LEU  24          2HD2      LEU  24 -13.141 -13.892   4.647
  198   3HD2  LEU  24          3HD2      LEU  24 -13.765 -13.001   3.239
  199    H    GLU  25           H        GLU  25 -16.191  -9.250   5.390
  200    HA   GLU  25           HA       GLU  25 -13.753  -8.426   4.381
  201   1HB   GLU  25          1HB       GLU  25 -15.947  -7.540   3.638
  202   2HB   GLU  25          2HB       GLU  25 -16.182  -6.768   5.194
  203   1HG   GLU  25          1HG       GLU  25 -13.749  -5.720   4.577
  204   2HG   GLU  25          2HG       GLU  25 -14.337  -6.003   2.950
  205    H    GLU  26           H        GLU  26 -15.527  -7.300   7.356
  206    HA   GLU  26           HA       GLU  26 -13.637  -5.582   8.258
  207   1HB   GLU  26          1HB       GLU  26 -15.611  -7.361   9.731
  208   2HB   GLU  26          2HB       GLU  26 -14.590  -6.230  10.594
  209   1HG   GLU  26          1HG       GLU  26 -16.117  -5.198   8.207
  210   2HG   GLU  26          2HG       GLU  26 -17.021  -5.530   9.671
  211    H    CYS  27           H        CYS  27 -13.990  -9.090   9.169
  212    HA   CYS  27           HA       CYS  27 -11.990  -9.431  10.864
  213   1HB   CYS  27          1HB       CYS  27 -13.323 -11.110   8.905
  214   2HB   CYS  27          2HB       CYS  27 -11.647 -11.591   9.086
  215    HG   CYS  27           HG       CYS  27 -13.520 -10.799  11.679
  216    H    VAL  28           H        VAL  28 -11.468  -9.924   7.288
  217    HA   VAL  28           HA       VAL  28  -8.802 -10.048   7.207
  218    HB   VAL  28           HB       VAL  28 -10.748  -8.665   5.369
  219   1HG1  VAL  28          1HG1      VAL  28  -7.839  -8.559   5.309
  220   2HG1  VAL  28          2HG1      VAL  28  -8.499  -9.334   3.849
  221   3HG1  VAL  28          3HG1      VAL  28  -9.033  -7.699   4.307
  222   1HG2  VAL  28          2HG2      VAL  28 -10.578 -11.273   5.895
  223   2HG2  VAL  28          3HG2      VAL  28 -10.923 -10.662   4.259
  224   3HG2  VAL  28          1HG2      VAL  28  -9.274 -11.176   4.687
  225    H    ARG  29           H        ARG  29 -10.760  -7.024   7.472
  226    HA   ARG  29           HA       ARG  29  -8.560  -5.337   7.338
  227   1HB   ARG  29          1HB       ARG  29 -11.273  -4.982   7.336
  228   2HB   ARG  29          2HB       ARG  29 -10.930  -4.502   8.986
  229   1HG   ARG  29          1HG       ARG  29  -8.919  -3.184   7.596
  230   2HG   ARG  29          2HG       ARG  29 -10.234  -3.137   6.439
  231   1HD   ARG  29          1HD       ARG  29 -10.673  -1.200   7.685
  232   2HD   ARG  29          2HD       ARG  29 -11.694  -2.361   8.510
  233    HE   ARG  29           HE       ARG  29  -9.159  -2.488   9.765
  234   1HH1  ARG  29          2HH2      ARG  29 -11.733  -0.132   9.312
  235   2HH1  ARG  29          1HH2      ARG  29 -11.394   0.713  10.785
  236   1HH2  ARG  29          2HH1      ARG  29  -8.712  -1.374  11.710
  237   2HH2  ARG  29          1HH1      ARG  29  -9.663   0.001  12.159
  238    H    SER  30           H        SER  30 -10.480  -6.632  10.141
  239    HA   SER  30           HA       SER  30  -9.396  -5.406  12.201
  240   1HB   SER  30          1HB       SER  30 -10.609  -6.994  13.248
  241   2HB   SER  30          2HB       SER  30 -10.701  -7.908  11.756
  242    HG   SER  30           HG       SER  30  -9.005  -9.183  12.360
  243    H    ILE  31           H        ILE  31  -7.899  -8.250  10.507
  244    HA   ILE  31           HA       ILE  31  -5.727  -8.716  11.993
  245    HB   ILE  31           HB       ILE  31  -6.061  -8.608   9.006
  246   1HG1  ILE  31          1HG1      ILE  31  -5.561 -11.198  10.192
  247   2HG1  ILE  31          2HG1      ILE  31  -6.890 -10.409  11.018
  248   1HG2  ILE  31          2HG2      ILE  31  -3.643  -9.573  10.556
  249   2HG2  ILE  31          3HG2      ILE  31  -3.960  -9.918   8.839
  250   3HG2  ILE  31          1HG2      ILE  31  -3.707  -8.240   9.378
  251   1HD1  ILE  31          2HD1      ILE  31  -6.806 -10.337   7.996
  252   2HD1  ILE  31          3HD1      ILE  31  -7.345 -11.818   8.822
  253   3HD1  ILE  31          1HD1      ILE  31  -8.213 -10.287   9.084
  254    H    GLN  32           H        GLN  32  -4.091  -7.554  12.847
  255    HA   GLN  32           HA       GLN  32  -3.290  -5.182  11.361
  256   1HB   GLN  32          1HB       GLN  32  -4.754  -4.940  13.615
  257   2HB   GLN  32          2HB       GLN  32  -3.180  -5.110  14.364
  258   1HG   GLN  32          1HG       GLN  32  -2.350  -3.265  12.767
  259   2HG   GLN  32          2HG       GLN  32  -4.026  -3.008  12.322
  260   1HE2  GLN  32          2HE2      GLN  32  -2.746  -2.188  16.189
  261   2HE2  GLN  32          1HE2      GLN  32  -2.003  -3.420  15.224
  262    H    ALA  33           H        ALA  33  -1.029  -4.628  11.523
  263    HA   ALA  33           HA       ALA  33   0.693  -6.184  13.185
  264   1HB   ALA  33          3HB       ALA  33   0.050  -7.116  10.498
  265   2HB   ALA  33          1HB       ALA  33   1.785  -6.747  10.655
  266   3HB   ALA  33          2HB       ALA  33   1.017  -7.903  11.770
  267    H    ASP  34           H        ASP  34   2.753  -5.207  13.355
  268    HA   ASP  34           HA       ASP  34   2.871  -2.545  12.943
  269   1HB   ASP  34          1HB       ASP  34   4.450  -4.252  14.221
  270   2HB   ASP  34          2HB       ASP  34   5.377  -4.244  12.733
  271    H    GLY  35           H        GLY  35   4.424  -5.184  10.957
  272   1HA   GLY  35          1HA       GLY  35   5.092  -3.296   8.847
  273   2HA   GLY  35          2HA       GLY  35   5.518  -4.993   8.944
  274    H    LEU  36           H        LEU  36   2.184  -3.884   9.542
  275    HA   LEU  36           HA       LEU  36   1.440  -4.803   6.863
  276   1HB   LEU  36          1HB       LEU  36   1.188  -6.535   8.772
  277   2HB   LEU  36          2HB       LEU  36  -0.167  -5.550   9.287
  278    HG   LEU  36           HG       LEU  36  -1.060  -5.825   6.885
  279   1HD1  LEU  36          1HD1      LEU  36   1.244  -6.777   6.155
  280   2HD1  LEU  36          2HD1      LEU  36   0.625  -8.311   6.812
  281   3HD1  LEU  36          3HD1      LEU  36  -0.248  -7.489   5.496
  282   1HD2  LEU  36          2HD2      LEU  36  -1.926  -6.919   8.987
  283   2HD2  LEU  36          3HD2      LEU  36  -2.252  -7.791   7.471
  284   3HD2  LEU  36          1HD2      LEU  36  -0.953  -8.345   8.553
  285    H    VAL  37           H        VAL  37   0.033  -3.456   5.832
  286    HA   VAL  37           HA       VAL  37  -1.354  -1.490   7.511
  287    HB   VAL  37           HB       VAL  37   0.268  -1.047   5.006
  288   1HG1  VAL  37          1HG1      VAL  37  -2.023   0.054   4.918
  289   2HG1  VAL  37          2HG1      VAL  37  -1.507   1.029   6.315
  290   3HG1  VAL  37          3HG1      VAL  37  -0.622   1.143   4.774
  291   1HG2  VAL  37          2HG2      VAL  37   1.083  -0.927   7.571
  292   2HG2  VAL  37          3HG2      VAL  37   1.724   0.136   6.294
  293   3HG2  VAL  37          1HG2      VAL  37   0.450   0.727   7.389
  294    H    TRP  38           H        TRP  38  -3.478  -1.030   6.901
  295    HA   TRP  38           HA       TRP  38  -4.503  -2.774   4.777
  296   1HB   TRP  38          1HB       TRP  38  -5.610  -1.763   7.356
  297   2HB   TRP  38          2HB       TRP  38  -6.721  -2.046   6.031
  298    HD1  TRP  38           HD       TRP  38  -5.641  -3.850   8.914
  299    HE1  TRP  38          1HE       TRP  38  -5.710  -6.480   8.709
  300    HE3  TRP  38          3HE       TRP  38  -5.931  -3.972   3.839
  301    HZ2  TRP  38          2HZ       TRP  38  -5.875  -8.276   6.498
  302    HZ3  TRP  38          3HZ       TRP  38  -6.042  -6.204   2.736
  303    HH2  TRP  38           HH       TRP  38  -6.018  -8.308   3.981
  304    H    GLY  39           H        GLY  39  -4.747  -1.714   2.856
  305   1HA   GLY  39          1HA       GLY  39  -4.826   1.145   2.721
  306   2HA   GLY  39          2HA       GLY  39  -4.961   0.004   1.397
  307    H    SER  40           H        SER  40  -7.095  -1.138   1.087
  308    HA   SER  40           HA       SER  40  -9.350  -0.352   2.475
  309   1HB   SER  40          1HB       SER  40 -10.446   1.113   0.779
  310   2HB   SER  40          2HB       SER  40  -9.037   1.865   1.499
  311    HG   SER  40           HG       SER  40  -8.103   0.540  -0.624
  312    H    SER  41           H        SER  41 -10.944  -1.864   1.995
  313    HA   SER  41           HA       SER  41 -10.305  -3.692  -0.118
  314   1HB   SER  41          1HB       SER  41 -12.174  -5.041   0.843
  315   2HB   SER  41          2HB       SER  41 -10.971  -4.611   2.043
  316    HG   SER  41           HG       SER  41 -13.407  -4.296   2.513
  317    H    LYS  42           H        LYS  42 -12.086  -4.455  -1.645
  318    HA   LYS  42           HA       LYS  42 -14.015  -2.317  -2.188
  319   1HB   LYS  42          1HB       LYS  42 -12.533  -3.707  -4.416
  320   2HB   LYS  42          2HB       LYS  42 -13.487  -2.239  -4.479
  321   1HG   LYS  42          1HG       LYS  42 -11.683  -1.363  -2.705
  322   2HG   LYS  42          2HG       LYS  42 -10.697  -2.642  -3.387
  323   1HD   LYS  42          1HD       LYS  42 -10.247  -0.595  -4.629
  324   2HD   LYS  42          2HD       LYS  42 -11.104  -1.698  -5.688
  325   1HE   LYS  42          1HE       LYS  42 -12.604  -0.030  -6.052
  326   2HE   LYS  42          2HE       LYS  42 -13.176  -0.286  -4.415
  327   1HZ   LYS  42          2HZ       LYS  42 -10.807   1.339  -4.725
  328   2HZ   LYS  42          3HZ       LYS  42 -12.218   1.998  -5.218
  329   3HZ   LYS  42          1HZ       LYS  42 -12.047   1.495  -3.673
  330    H    LEU  43           H        LEU  43 -15.883  -3.079  -3.511
  331    HA   LEU  43           HA       LEU  43 -16.288  -5.964  -3.131
  332   1HB   LEU  43          1HB       LEU  43 -17.906  -3.641  -2.286
  333   2HB   LEU  43          2HB       LEU  43 -18.801  -4.948  -3.034
  334    HG   LEU  43           HG       LEU  43 -18.763  -5.138  -0.595
  335   1HD1  LEU  43          1HD1      LEU  43 -17.617  -7.237  -2.360
  336   2HD1  LEU  43          2HD1      LEU  43 -17.512  -7.509  -0.604
  337   3HD1  LEU  43          3HD1      LEU  43 -19.096  -7.240  -1.369
  338   1HD2  LEU  43          2HD2      LEU  43 -16.551  -4.045  -0.259
  339   2HD2  LEU  43          3HD2      LEU  43 -16.760  -5.554   0.663
  340   3HD2  LEU  43          1HD2      LEU  43 -15.769  -5.544  -0.816
  341    H    VAL  44           H        VAL  44 -17.520  -7.049  -4.766
  342    HA   VAL  44           HA       VAL  44 -18.377  -5.534  -7.052
  343    HB   VAL  44           HB       VAL  44 -16.048  -7.454  -7.248
  344   1HG1  VAL  44          2HG1      VAL  44 -18.023  -7.123  -9.122
  345   2HG1  VAL  44          3HG1      VAL  44 -16.831  -5.904  -9.632
  346   3HG1  VAL  44          1HG1      VAL  44 -16.348  -7.610  -9.475
  347   1HG2  VAL  44          3HG2      VAL  44 -16.262  -4.453  -7.625
  348   2HG2  VAL  44          1HG2      VAL  44 -15.248  -5.345  -6.465
  349   3HG2  VAL  44          2HG2      VAL  44 -14.886  -5.422  -8.206
  350    HA   PRO  45           HA       PRO  45 -20.990  -9.026  -6.546
  351   1HB   PRO  45          1HB       PRO  45 -23.123  -8.031  -7.935
  352   2HB   PRO  45          2HB       PRO  45 -22.868  -7.732  -6.226
  353   1HG   PRO  45          1HG       PRO  45 -22.455  -5.902  -8.510
  354   2HG   PRO  45          2HG       PRO  45 -22.619  -5.515  -6.810
  355   1HD   PRO  45          1HD       PRO  45 -20.189  -5.566  -8.332
  356   2HD   PRO  45          2HD       PRO  45 -20.339  -5.293  -6.608
  357    H    VAL  46           H        VAL  46 -21.141 -10.930  -7.593
  358    HA   VAL  46           HA       VAL  46 -20.975 -10.723 -10.506
  359    HB   VAL  46           HB       VAL  46 -18.734 -11.091  -9.975
  360   1HG1  VAL  46          1HG1      VAL  46 -19.033 -11.528  -7.566
  361   2HG1  VAL  46          2HG1      VAL  46 -19.585 -13.179  -7.940
  362   3HG1  VAL  46          3HG1      VAL  46 -17.916 -12.691  -8.318
  363   1HG2  VAL  46          3HG2      VAL  46 -20.122 -13.719 -10.541
  364   2HG2  VAL  46          1HG2      VAL  46 -19.326 -12.613 -11.686
  365   3HG2  VAL  46          2HG2      VAL  46 -18.349 -13.554 -10.534
  366    H    GLY  47           H        GLY  47 -21.491 -12.804  -7.589
  367   1HA   GLY  47          1HA       GLY  47 -22.959 -14.784  -9.043
  368   2HA   GLY  47          2HA       GLY  47 -22.785 -14.639  -7.306
  369    H    TYR  48           H        TYR  48 -25.244 -15.284  -8.756
  370    HA   TYR  48           HA       TYR  48 -27.000 -13.360  -9.322
  371   1HB   TYR  48          1HB       TYR  48 -27.553 -15.761  -9.241
  372   2HB   TYR  48          2HB       TYR  48 -27.155 -15.854  -7.537
  373    HD1  TYR  48          2HD       TYR  48 -29.566 -14.168  -9.860
  374    HD2  TYR  48          1HD       TYR  48 -28.870 -15.773  -5.956
  375    HE1  TYR  48          2HE       TYR  48 -32.009 -13.794  -9.264
  376    HE2  TYR  48          1HE       TYR  48 -31.316 -15.393  -5.373
  377    HH   TYR  48           HH       TYR  48 -33.159 -14.278  -5.991
  378    H    GLY  49           H        GLY  49 -26.162 -14.416  -5.951
  379   1HA   GLY  49          1HA       GLY  49 -27.109 -11.781  -5.021
  380   2HA   GLY  49          2HA       GLY  49 -27.652 -13.253  -4.242
  381    H    ILE  50           H        ILE  50 -24.390 -13.122  -5.622
  382    HA   ILE  50           HA       ILE  50 -23.339 -12.944  -2.883
  383    HB   ILE  50           HB       ILE  50 -22.484 -14.629  -5.228
  384   1HG1  ILE  50          1HG1      ILE  50 -22.572 -16.331  -3.197
  385   2HG1  ILE  50          2HG1      ILE  50 -23.665 -15.141  -2.521
  386   1HG2  ILE  50          3HG2      ILE  50 -20.946 -14.004  -2.696
  387   2HG2  ILE  50          1HG2      ILE  50 -20.580 -15.361  -3.788
  388   3HG2  ILE  50          2HG2      ILE  50 -20.454 -13.687  -4.376
  389   1HD1  ILE  50          3HD1      ILE  50 -24.595 -15.322  -5.126
  390   2HD1  ILE  50          1HD1      ILE  50 -24.068 -16.990  -4.798
  391   3HD1  ILE  50          2HD1      ILE  50 -25.269 -16.211  -3.739
  392    H    LYS  51           H        LYS  51 -21.045 -12.075  -2.788
  393    HA   LYS  51           HA       LYS  51 -20.589 -10.155  -4.956
  394   1HB   LYS  51          1HB       LYS  51 -21.418  -9.546  -2.285
  395   2HB   LYS  51          2HB       LYS  51 -19.762  -9.003  -2.476
  396   1HG   LYS  51          1HG       LYS  51 -20.298  -7.533  -4.245
  397   2HG   LYS  51          2HG       LYS  51 -21.745  -8.417  -4.684
  398   1HD   LYS  51          1HD       LYS  51 -23.000  -7.531  -2.863
  399   2HD   LYS  51          2HD       LYS  51 -21.564  -7.069  -1.971
  400   1HE   LYS  51          1HE       LYS  51 -21.139  -5.525  -4.138
  401   2HE   LYS  51          2HE       LYS  51 -22.875  -5.682  -4.308
  402   1HZ   LYS  51          3HZ       LYS  51 -22.626  -5.142  -1.716
  403   2HZ   LYS  51          1HZ       LYS  51 -21.375  -4.282  -2.319
  404   3HZ   LYS  51          2HZ       LYS  51 -22.890  -4.011  -2.864
  405    H    LYS  52           H        LYS  52 -18.265  -9.264  -4.832
  406    HA   LYS  52           HA       LYS  52 -16.544 -11.559  -4.502
  407   1HB   LYS  52          1HB       LYS  52 -16.164 -10.471  -6.523
  408   2HB   LYS  52          2HB       LYS  52 -16.327  -8.872  -5.827
  409   1HG   LYS  52          1HG       LYS  52 -14.148  -8.838  -5.016
  410   2HG   LYS  52          2HG       LYS  52 -14.108 -10.567  -4.729
  411   1HD   LYS  52          1HD       LYS  52 -12.732 -10.504  -6.588
  412   2HD   LYS  52          2HD       LYS  52 -14.268 -10.660  -7.417
  413   1HE   LYS  52          1HE       LYS  52 -14.100  -7.907  -7.054
  414   2HE   LYS  52          2HE       LYS  52 -12.418  -8.338  -7.291
  415   1HZ   LYS  52          2HZ       LYS  52 -13.878  -9.750  -9.148
  416   2HZ   LYS  52          3HZ       LYS  52 -14.454  -8.222  -9.188
  417   3HZ   LYS  52          1HZ       LYS  52 -12.862  -8.502  -9.424
  418    H    LEU  53           H        LEU  53 -14.689 -11.642  -3.141
  419    HA   LEU  53           HA       LEU  53 -14.904  -9.788  -0.880
  420   1HB   LEU  53          1HB       LEU  53 -14.890 -12.569  -0.994
  421   2HB   LEU  53          2HB       LEU  53 -13.269 -12.156  -0.473
  422    HG   LEU  53           HG       LEU  53 -14.798 -12.576   1.408
  423   1HD1  LEU  53          3HD1      LEU  53 -13.631  -9.809   1.114
  424   2HD1  LEU  53          1HD1      LEU  53 -14.371 -10.376   2.630
  425   3HD1  LEU  53          2HD1      LEU  53 -12.957 -11.224   1.957
  426   1HD2  LEU  53          1HD2      LEU  53 -16.474 -10.630  -0.035
  427   2HD2  LEU  53          2HD2      LEU  53 -16.924 -11.942   1.081
  428   3HD2  LEU  53          3HD2      LEU  53 -16.377 -10.375   1.724
  429    H    GLN  54           H        GLN  54 -13.768  -8.379  -2.714
  430    HA   GLN  54           HA       GLN  54 -10.974  -8.993  -2.908
  431   1HB   GLN  54          1HB       GLN  54 -12.046  -8.104  -4.891
  432   2HB   GLN  54          2HB       GLN  54 -12.702  -6.742  -4.008
  433   1HG   GLN  54          1HG       GLN  54 -10.772  -5.545  -4.209
  434   2HG   GLN  54          2HG       GLN  54  -9.784  -6.900  -3.701
  435   1HE2  GLN  54          2HE2      GLN  54 -10.327  -5.942  -7.643
  436   2HE2  GLN  54          1HE2      GLN  54 -11.138  -5.138  -6.341
  437    H    ILE  55           H        ILE  55  -9.281  -7.882  -1.876
  438    HA   ILE  55           HA       ILE  55  -9.962  -5.591  -0.239
  439    HB   ILE  55           HB       ILE  55  -9.747  -6.508   1.770
  440   1HG1  ILE  55          1HG1      ILE  55  -7.304  -6.877   1.354
  441   2HG1  ILE  55          2HG1      ILE  55  -8.036  -7.998   2.483
  442   1HG2  ILE  55          1HG2      ILE  55 -10.178  -9.033   0.153
  443   2HG2  ILE  55          2HG2      ILE  55 -10.390  -8.906   1.916
  444   3HG2  ILE  55          3HG2      ILE  55 -11.423  -7.952   0.824
  445   1HD1  ILE  55          3HD1      ILE  55  -8.182  -8.933  -0.320
  446   2HD1  ILE  55          1HD1      ILE  55  -6.519  -8.720   0.276
  447   3HD1  ILE  55          2HD1      ILE  55  -7.642  -9.796   1.140
  448    H    GLN  56           H        GLN  56  -8.140  -4.265   0.233
  449    HA   GLN  56           HA       GLN  56  -5.770  -5.099  -1.252
  450   1HB   GLN  56          1HB       GLN  56  -6.956  -3.202  -2.322
  451   2HB   GLN  56          2HB       GLN  56  -6.870  -2.285  -0.832
  452   1HG   GLN  56          1HG       GLN  56  -5.072  -1.590  -2.384
  453   2HG   GLN  56          2HG       GLN  56  -4.392  -2.295  -0.930
  454   1HE2  GLN  56          2HE2      GLN  56  -3.537  -3.776  -4.566
  455   2HE2  GLN  56          1HE2      GLN  56  -4.343  -2.277  -4.243
  456    H    CYS  57           H        CYS  57  -3.712  -4.763  -0.286
  457    HA   CYS  57           HA       CYS  57  -3.782  -3.665   2.419
  458   1HB   CYS  57          1HB       CYS  57  -2.082  -5.540   2.993
  459   2HB   CYS  57          2HB       CYS  57  -3.794  -5.912   2.999
  460    HG   CYS  57           HG       CYS  57  -2.308  -6.072   0.120
  461    H    VAL  58           H        VAL  58  -1.346  -3.320   3.153
  462    HA   VAL  58           HA       VAL  58   0.298  -2.680   0.815
  463    HB   VAL  58           HB       VAL  58  -0.377  -0.858   3.132
  464   1HG1  VAL  58          3HG1      VAL  58   2.087  -0.931   2.274
  465   2HG1  VAL  58          1HG1      VAL  58   1.432  -0.085   0.852
  466   3HG1  VAL  58          2HG1      VAL  58   1.274   0.640   2.470
  467   1HG2  VAL  58          1HG2      VAL  58  -1.754  -1.222   0.787
  468   2HG2  VAL  58          2HG2      VAL  58  -1.753   0.275   1.752
  469   3HG2  VAL  58          3HG2      VAL  58  -0.653   0.111   0.360
  470    H    VAL  59           H        VAL  59   1.388  -4.701   1.368
  471    HA   VAL  59           HA       VAL  59   2.641  -4.826   3.965
  472    HB   VAL  59           HB       VAL  59   3.387  -6.984   3.269
  473   1HG1  VAL  59          1HG1      VAL  59   0.811  -6.381   3.648
  474   2HG1  VAL  59          2HG1      VAL  59   0.694  -6.976   1.975
  475   3HG1  VAL  59          3HG1      VAL  59   1.352  -8.029   3.251
  476   1HG2  VAL  59          2HG2      VAL  59   3.980  -6.173   0.902
  477   2HG2  VAL  59          3HG2      VAL  59   3.362  -7.833   1.075
  478   3HG2  VAL  59          1HG2      VAL  59   2.288  -6.541   0.487
  479    H    GLU  60           H        GLU  60   5.133  -5.608   3.776
  480    HA   GLU  60           HA       GLU  60   6.416  -3.320   2.654
  481   1HB   GLU  60          1HB       GLU  60   7.108  -5.500   4.563
  482   2HB   GLU  60          2HB       GLU  60   8.455  -4.896   3.620
  483   1HG   GLU  60          1HG       GLU  60   8.567  -3.277   5.236
  484   2HG   GLU  60          2HG       GLU  60   7.275  -2.522   4.325
  485    H    ASP  61           H        ASP  61   8.843  -4.042   1.711
  486    HA   ASP  61           HA       ASP  61   8.143  -5.253  -0.756
  487   1HB   ASP  61          1HB       ASP  61   9.699  -3.519  -1.020
  488   2HB   ASP  61          2HB       ASP  61  10.572  -3.935   0.441
  489    H    ASP  62           H        ASP  62  10.431  -5.923   1.995
  490    HA   ASP  62           HA       ASP  62  10.239  -8.733   1.301
  491   1HB   ASP  62          1HB       ASP  62  12.375  -7.951   0.358
  492   2HB   ASP  62          2HB       ASP  62  12.802  -7.175   1.872
  493    H    LYS  63           H        LYS  63   9.079  -6.832   3.384
  494    HA   LYS  63           HA       LYS  63  10.336  -7.970   5.781
  495   1HB   LYS  63          1HB       LYS  63   9.771  -5.297   5.115
  496   2HB   LYS  63          2HB       LYS  63   8.544  -5.743   6.283
  497   1HG   LYS  63          1HG       LYS  63  10.141  -5.309   7.854
  498   2HG   LYS  63          2HG       LYS  63  10.788  -6.881   7.427
  499   1HD   LYS  63          1HD       LYS  63  12.267  -5.809   5.716
  500   2HD   LYS  63          2HD       LYS  63  11.617  -4.236   6.138
  501   1HE   LYS  63          1HE       LYS  63  12.926  -6.042   8.217
  502   2HE   LYS  63          2HE       LYS  63  13.863  -4.927   7.243
  503   1HZ   LYS  63          3HZ       LYS  63  11.533  -4.048   8.788
  504   2HZ   LYS  63          1HZ       LYS  63  13.038  -4.079   9.423
  505   3HZ   LYS  63          2HZ       LYS  63  12.713  -3.124   8.139
  506    H    VAL  64           H        VAL  64   7.345  -7.494   3.901
  507    HA   VAL  64           HA       VAL  64   6.147  -9.641   5.426
  508    HB   VAL  64           HB       VAL  64   4.972  -6.862   5.259
  509   1HG1  VAL  64          3HG1      VAL  64   3.557  -9.260   5.050
  510   2HG1  VAL  64          1HG1      VAL  64   3.407  -8.805   6.764
  511   3HG1  VAL  64          2HG1      VAL  64   2.899  -7.667   5.494
  512   1HG2  VAL  64          1HG2      VAL  64   6.586  -7.234   7.090
  513   2HG2  VAL  64          2HG2      VAL  64   4.932  -6.981   7.700
  514   3HG2  VAL  64          3HG2      VAL  64   5.621  -8.622   7.650
  515    H    GLY  65           H        GLY  65   4.999 -10.976   4.086
  516   1HA   GLY  65          1HA       GLY  65   4.380  -9.916   1.391
  517   2HA   GLY  65          2HA       GLY  65   5.035 -11.516   1.675
  518    H    THR  66           H        THR  66   2.812 -11.703   0.297
  519    HA   THR  66           HA       THR  66   0.447 -11.651   1.922
  520    HB   THR  66           HB       THR  66   1.001 -12.833  -0.851
  521    HG1  THR  66          1HG       THR  66  -0.041 -10.264   0.119
  522   1HG2  THR  66          3HG2      THR  66  -1.243 -13.381   0.390
  523   2HG2  THR  66          1HG2      THR  66  -1.591 -11.643   0.226
  524   3HG2  THR  66          2HG2      THR  66  -1.360 -12.645  -1.226
  525    H    ASP  67           H        ASP  67   2.079 -13.046   3.487
  526    HA   ASP  67           HA       ASP  67   1.384 -15.819   2.923
  527   1HB   ASP  67          1HB       ASP  67   3.176 -16.086   4.909
  528   2HB   ASP  67          2HB       ASP  67   3.671 -15.947   3.233
  529    H    MET  68           H        MET  68   2.240 -13.809   5.848
  530    HA   MET  68           HA       MET  68   0.770 -15.189   7.649
  531   1HB   MET  68          1HB       MET  68   2.336 -12.898   7.632
  532   2HB   MET  68          2HB       MET  68   0.761 -12.203   7.962
  533   1HG   MET  68          1HG       MET  68   2.086 -14.447   9.561
  534   2HG   MET  68          2HG       MET  68   1.938 -12.778  10.074
  535   1HE   MET  68          1HE       MET  68  -0.256 -11.575  10.627
  536   2HE   MET  68          2HE       MET  68  -0.956 -11.956   9.035
  537   3HE   MET  68          3HE       MET  68  -1.880 -12.297  10.518
  538    H    LEU  69           H        LEU  69  -0.306 -12.571   5.430
  539    HA   LEU  69           HA       LEU  69  -2.817 -12.170   6.585
  540   1HB   LEU  69          1HB       LEU  69  -1.534 -11.609   3.954
  541   2HB   LEU  69          2HB       LEU  69  -3.278 -11.477   4.066
  542    HG   LEU  69           HG       LEU  69  -1.193  -9.898   5.578
  543   1HD1  LEU  69          2HD1      LEU  69  -2.292  -9.421   3.147
  544   2HD1  LEU  69          3HD1      LEU  69  -3.447  -8.572   4.202
  545   3HD1  LEU  69          1HD1      LEU  69  -1.718  -8.153   4.257
  546   1HD2  LEU  69          3HD2      LEU  69  -3.951 -10.543   6.374
  547   2HD2  LEU  69          1HD2      LEU  69  -2.583  -9.936   7.335
  548   3HD2  LEU  69          2HD2      LEU  69  -3.564  -8.805   6.374
  549    H    GLU  70           H        GLU  70  -1.990 -14.043   3.576
  550    HA   GLU  70           HA       GLU  70  -4.399 -15.149   3.170
  551   1HB   GLU  70          1HB       GLU  70  -2.395 -15.392   1.695
  552   2HB   GLU  70          2HB       GLU  70  -1.707 -16.542   2.824
  553   1HG   GLU  70          1HG       GLU  70  -4.023 -17.813   2.506
  554   2HG   GLU  70          2HG       GLU  70  -4.133 -16.862   1.039
  555    H    GLU  71           H        GLU  71  -1.724 -16.649   5.134
  556    HA   GLU  71           HA       GLU  71  -3.050 -18.862   5.931
  557   1HB   GLU  71          1HB       GLU  71  -0.755 -17.288   6.864
  558   2HB   GLU  71          2HB       GLU  71  -1.566 -18.088   8.196
  559   1HG   GLU  71          1HG       GLU  71  -1.337 -19.896   5.904
  560   2HG   GLU  71          2HG       GLU  71   0.235 -19.255   6.333
  561    H    GLN  72           H        GLN  72  -3.732 -15.547   6.751
  562    HA   GLN  72           HA       GLN  72  -5.269 -16.381   9.063
  563   1HB   GLN  72          1HB       GLN  72  -3.674 -14.365   9.106
  564   2HB   GLN  72          2HB       GLN  72  -4.817 -13.541   8.065
  565   1HG   GLN  72          1HG       GLN  72  -6.170 -13.057   9.821
  566   2HG   GLN  72          2HG       GLN  72  -6.258 -14.745  10.285
  567   1HE2  GLN  72          2HE2      GLN  72  -4.849 -13.064  13.189
  568   2HE2  GLN  72          1HE2      GLN  72  -6.340 -13.199  12.319
  569    H    ILE  73           H        ILE  73  -5.582 -14.612   5.917
  570    HA   ILE  73           HA       ILE  73  -8.361 -14.246   6.130
  571    HB   ILE  73           HB       ILE  73  -6.642 -14.364   3.650
  572   1HG1  ILE  73          1HG1      ILE  73  -5.536 -12.788   4.950
  573   2HG1  ILE  73          2HG1      ILE  73  -6.642 -11.812   4.002
  574   1HG2  ILE  73          3HG2      ILE  73  -9.460 -13.742   4.150
  575   2HG2  ILE  73          1HG2      ILE  73  -8.593 -12.460   3.271
  576   3HG2  ILE  73          2HG2      ILE  73  -8.614 -14.120   2.631
  577   1HD1  ILE  73          3HD1      ILE  73  -8.276 -12.252   6.090
  578   2HD1  ILE  73          1HD1      ILE  73  -6.724 -12.477   6.934
  579   3HD1  ILE  73          2HD1      ILE  73  -7.075 -10.939   6.108
  580    H    THR  74           H        THR  74  -6.403 -16.633   4.207
  581    HA   THR  74           HA       THR  74  -8.710 -18.137   3.504
  582    HB   THR  74           HB       THR  74  -7.029 -19.625   2.495
  583    HG1  THR  74          1HG       THR  74  -5.282 -19.818   3.850
  584   1HG2  THR  74          1HG2      THR  74  -7.265 -17.206   1.538
  585   2HG2  THR  74          2HG2      THR  74  -5.752 -16.856   2.409
  586   3HG2  THR  74          3HG2      THR  74  -5.777 -18.093   1.130
  587    H    ALA  75           H        ALA  75  -6.823 -17.893   6.392
  588    HA   ALA  75           HA       ALA  75  -6.800 -20.427   7.382
  589   1HB   ALA  75          3HB       ALA  75  -6.461 -17.787   8.330
  590   2HB   ALA  75          1HB       ALA  75  -7.659 -18.535   9.413
  591   3HB   ALA  75          2HB       ALA  75  -6.067 -19.299   9.183
  592    H    PHE  76           H        PHE  76  -9.564 -18.327   6.724
  593    HA   PHE  76           HA       PHE  76 -11.321 -20.052   8.265
  594   1HB   PHE  76          1HB       PHE  76 -11.253 -17.323   7.073
  595   2HB   PHE  76          2HB       PHE  76 -12.780 -18.127   6.765
  596    HD1  PHE  76          2HD       PHE  76 -10.574 -18.298   9.766
  597    HD2  PHE  76          1HD       PHE  76 -14.315 -17.095   8.165
  598    HE1  PHE  76          2HE       PHE  76 -11.361 -17.684  12.068
  599    HE2  PHE  76          1HE       PHE  76 -15.102 -16.481  10.467
  600    HZ   PHE  76           HZ       PHE  76 -13.617 -16.783  12.392
  601    H    GLU  77           H        GLU  77 -11.524 -22.013   7.168
  602    HA   GLU  77           HA       GLU  77 -11.966 -21.921   4.334
  603   1HB   GLU  77          1HB       GLU  77 -12.288 -24.548   4.975
  604   2HB   GLU  77          2HB       GLU  77 -10.726 -23.809   4.685
  605   1HG   GLU  77          1HG       GLU  77 -10.321 -23.501   7.052
  606   2HG   GLU  77          2HG       GLU  77 -11.987 -23.864   7.459
  607    H    ASP  78           H        ASP  78 -13.854 -21.449   7.067
  608    HA   ASP  78           HA       ASP  78 -16.139 -22.840   5.967
  609   1HB   ASP  78          1HB       ASP  78 -15.242 -22.176   8.603
  610   2HB   ASP  78          2HB       ASP  78 -16.706 -21.248   8.342
  611    H    TYR  79           H        TYR  79 -14.766 -20.310   4.850
  612    HA   TYR  79           HA       TYR  79 -17.190 -18.791   4.487
  613   1HB   TYR  79          1HB       TYR  79 -14.697 -17.940   6.023
  614   2HB   TYR  79          2HB       TYR  79 -15.512 -16.723   5.062
  615    HD1  TYR  79          2HD       TYR  79 -15.983 -19.111   7.876
  616    HD2  TYR  79          1HD       TYR  79 -17.498 -15.667   5.838
  617    HE1  TYR  79          2HE       TYR  79 -17.622 -18.701   9.775
  618    HE2  TYR  79          1HE       TYR  79 -19.133 -15.269   7.744
  619    HH   TYR  79           HH       TYR  79 -20.210 -17.129   9.611
  620    H    VAL  80           H        VAL  80 -13.620 -19.067   3.977
  621    HA   VAL  80           HA       VAL  80 -13.846 -17.670   1.460
  622    HB   VAL  80           HB       VAL  80 -11.573 -18.932   2.993
  623   1HG1  VAL  80          2HG1      VAL  80 -11.687 -17.940   0.182
  624   2HG1  VAL  80          3HG1      VAL  80 -10.265 -17.490   1.153
  625   3HG1  VAL  80          1HG1      VAL  80 -10.672 -19.206   0.913
  626   1HG2  VAL  80          2HG2      VAL  80 -12.596 -16.137   2.583
  627   2HG2  VAL  80          3HG2      VAL  80 -12.047 -16.944   4.073
  628   3HG2  VAL  80          1HG2      VAL  80 -10.859 -16.403   2.862
  629    H    GLN  81           H        GLN  81 -14.141 -18.608  -0.505
  630    HA   GLN  81           HA       GLN  81 -14.450 -21.455  -0.519
  631   1HB   GLN  81          1HB       GLN  81 -16.047 -19.846  -1.657
  632   2HB   GLN  81          2HB       GLN  81 -14.784 -19.473  -2.812
  633   1HG   GLN  81          1HG       GLN  81 -14.715 -22.178  -3.011
  634   2HG   GLN  81          2HG       GLN  81 -16.378 -22.003  -2.487
  635   1HE2  GLN  81          2HE2      GLN  81 -17.320 -21.601  -5.802
  636   2HE2  GLN  81          1HE2      GLN  81 -17.409 -22.497  -4.323
  637    H    SER  82           H        SER  82 -12.168 -18.972  -1.656
  638    HA   SER  82           HA       SER  82 -10.063 -20.658  -1.840
  639   1HB   SER  82          1HB       SER  82  -9.804 -20.816  -4.395
  640   2HB   SER  82          2HB       SER  82 -10.962 -21.904  -3.654
  641    HG   SER  82           HG       SER  82 -11.808 -19.337  -4.646
  642    H    MET  83           H        MET  83  -8.538 -19.109  -1.403
  643    HA   MET  83           HA       MET  83  -8.965 -16.459  -2.401
  644   1HB   MET  83          1HB       MET  83  -8.179 -16.604  -0.123
  645   2HB   MET  83          2HB       MET  83  -6.981 -17.818  -0.524
  646   1HG   MET  83          1HG       MET  83  -6.772 -15.095  -1.828
  647   2HG   MET  83          2HG       MET  83  -6.270 -15.268  -0.158
  648   1HE   MET  83          1HE       MET  83  -4.197 -14.953   0.021
  649   2HE   MET  83          2HE       MET  83  -2.840 -15.965  -0.528
  650   3HE   MET  83          3HE       MET  83  -3.433 -14.639  -1.556
  651    H    ASP  84           H        ASP  84  -7.369 -15.236  -3.648
  652    HA   ASP  84           HA       ASP  84  -5.282 -16.788  -4.863
  653   1HB   ASP  84          1HB       ASP  84  -7.755 -15.857  -6.279
  654   2HB   ASP  84          2HB       ASP  84  -6.245 -15.583  -7.125
  655    H    VAL  85           H        VAL  85  -4.466 -14.985  -6.846
  656    HA   VAL  85           HA       VAL  85  -4.145 -12.491  -5.323
  657    HB   VAL  85           HB       VAL  85  -2.295 -13.952  -7.213
  658   1HG1  VAL  85          3HG1      VAL  85  -2.429 -11.105  -6.520
  659   2HG1  VAL  85          1HG1      VAL  85  -0.850 -11.843  -6.159
  660   3HG1  VAL  85          2HG1      VAL  85  -1.518 -11.932  -7.806
  661   1HG2  VAL  85          1HG2      VAL  85  -2.438 -13.553  -4.258
  662   2HG2  VAL  85          2HG2      VAL  85  -1.886 -14.957  -5.201
  663   3HG2  VAL  85          3HG2      VAL  85  -0.828 -13.538  -5.014
  664    H    ALA  86           H        ALA  86  -4.724 -10.576  -6.287
  665    HA   ALA  86           HA       ALA  86  -6.018 -10.829  -8.881
  666   1HB   ALA  86          2HB       ALA  86  -7.007  -9.734  -6.734
  667   2HB   ALA  86          3HB       ALA  86  -5.945  -8.362  -7.131
  668   3HB   ALA  86          1HB       ALA  86  -7.197  -8.882  -8.284
  669    H    ALA  87           H        ALA  87  -3.154  -9.481  -7.287
  670    HA   ALA  87           HA       ALA  87  -1.830  -9.087  -9.711
  671   1HB   ALA  87          1HB       ALA  87  -3.494  -7.189  -9.852
  672   2HB   ALA  87          2HB       ALA  87  -2.735  -6.496  -8.399
  673   3HB   ALA  87          3HB       ALA  87  -1.789  -6.680  -9.897
  674    H    PHE  88           H        PHE  88   0.398  -8.513  -9.347
  675    HA   PHE  88           HA       PHE  88   1.087  -8.215  -6.515
  676   1HB   PHE  88          1HB       PHE  88   1.382 -10.517  -8.138
  677   2HB   PHE  88          2HB       PHE  88   2.955  -9.756  -8.263
  678    HD1  PHE  88          1HD       PHE  88   0.478 -10.428  -5.538
  679    HD2  PHE  88          2HD       PHE  88   4.528 -10.560  -6.800
  680    HE1  PHE  88          1HE       PHE  88   1.135 -11.421  -3.327
  681    HE2  PHE  88          2HE       PHE  88   5.185 -11.552  -4.589
  682    HZ   PHE  88           HZ       PHE  88   3.481 -11.971  -2.880
  683    H    ASN  89           H        ASN  89   1.708  -6.050  -6.619
  684    HA   ASN  89           HA       ASN  89   4.139  -5.608  -8.071
  685   1HB   ASN  89          1HB       ASN  89   3.272  -3.454  -9.073
  686   2HB   ASN  89          2HB       ASN  89   2.492  -4.874  -9.742
  687   1HD2  ASN  89          2HD2      ASN  89  -0.251  -2.578  -9.149
  688   2HD2  ASN  89          1HD2      ASN  89   1.095  -2.822 -10.212
  689    H    LYS  90           H        LYS  90   4.946  -3.229  -7.457
  690    HA   LYS  90           HA       LYS  90   4.663  -2.995  -4.619
  691   1HB   LYS  90          1HB       LYS  90   6.829  -2.741  -5.795
  692   2HB   LYS  90          2HB       LYS  90   6.224  -1.307  -6.599
  693   1HG   LYS  90          1HG       LYS  90   5.849  -0.216  -4.379
  694   2HG   LYS  90          2HG       LYS  90   6.447  -1.652  -3.570
  695   1HD   LYS  90          1HD       LYS  90   8.316  -0.159  -3.656
  696   2HD   LYS  90          2HD       LYS  90   8.630  -1.360  -4.893
  697   1HE   LYS  90          1HE       LYS  90   8.729   0.266  -6.470
  698   2HE   LYS  90          2HE       LYS  90   7.073   0.722  -6.122
  699   1HZ   LYS  90          3HZ       LYS  90   8.250   1.860  -4.099
  700   2HZ   LYS  90          1HZ       LYS  90   9.525   1.873  -5.119
  701   3HZ   LYS  90          2HZ       LYS  90   8.130   2.606  -5.548
  702    H    ILE  91           H        ILE  91   4.280  -0.839  -3.621
  703    HA   ILE  91           HA       ILE  91   2.003   0.508  -4.996
  704    HB   ILE  91           HB       ILE  91   1.366  -0.753  -2.968
  705   1HG1  ILE  91          1HG1      ILE  91   1.099   1.860  -1.758
  706   2HG1  ILE  91          2HG1      ILE  91   0.911   2.006  -3.521
  707   1HG2  ILE  91          3HG2      ILE  91   3.819  -0.178  -2.011
  708   2HG2  ILE  91          1HG2      ILE  91   2.911   1.144  -1.239
  709   3HG2  ILE  91          2HG2      ILE  91   2.446  -0.547  -0.940
  710   1HD1  ILE  91          1HD1      ILE  91  -0.624  -0.105  -3.282
  711   2HD1  ILE  91          2HD1      ILE  91  -0.699   0.355  -1.564
  712   3HD1  ILE  91          3HD1      ILE  91  -1.270   1.486  -2.815
   
  No H/Q in entry =         712
  Start of MODEL   14
    1   1H    MET   1          3HN       MET   1   8.807   3.919  -4.116
    2   2H    MET   1           H        MET   1   8.083   3.590  -5.568
    3   3H    MET   1          2HN       MET   1   9.268   4.743  -5.477
    4    HA   MET   1           HA       MET   1   7.807   6.276  -5.152
    5   1HB   MET   1          1HB       MET   1   6.355   4.470  -6.337
    6   2HB   MET   1          2HB       MET   1   5.655   4.196  -4.724
    7   1HG   MET   1          1HG       MET   1   4.592   6.207  -4.692
    8   2HG   MET   1          2HG       MET   1   5.911   7.036  -5.537
    9   1HE   MET   1          3HE       MET   1   6.134   7.461  -7.889
   10   2HE   MET   1          1HE       MET   1   4.693   7.619  -8.921
   11   3HE   MET   1          2HE       MET   1   4.772   8.481  -7.367
   12    H    LEU   2           H        LEU   2   6.741   3.547  -2.950
   13    HA   LEU   2           HA       LEU   2   6.462   5.520  -0.844
   14   1HB   LEU   2          1HB       LEU   2   5.415   2.851  -1.451
   15   2HB   LEU   2          2HB       LEU   2   5.872   3.056   0.229
   16    HG   LEU   2           HG       LEU   2   4.462   5.267   0.063
   17   1HD1  LEU   2          3HD1      LEU   2   3.784   3.843  -2.448
   18   2HD1  LEU   2          1HD1      LEU   2   2.419   4.505  -1.516
   19   3HD1  LEU   2          2HD1      LEU   2   3.734   5.578  -2.052
   20   1HD2  LEU   2          1HD2      LEU   2   3.959   3.378   1.530
   21   2HD2  LEU   2          2HD2      LEU   2   2.477   4.048   0.807
   22   3HD2  LEU   2          3HD2      LEU   2   3.166   2.530   0.181
   23    H    VAL   3           H        VAL   3   7.102   3.941   1.409
   24    HA   VAL   3           HA       VAL   3  10.014   3.805   1.079
   25    HB   VAL   3           HB       VAL   3   9.617   5.441   2.638
   26   1HG1  VAL   3          3HG1      VAL   3   7.186   3.838   3.369
   27   2HG1  VAL   3          1HG1      VAL   3   7.865   4.982   4.551
   28   3HG1  VAL   3          2HG1      VAL   3   7.333   5.563   2.955
   29   1HG2  VAL   3          1HG2      VAL   3  11.054   3.576   3.541
   30   2HG2  VAL   3          2HG2      VAL   3  10.300   4.610   4.778
   31   3HG2  VAL   3          3HG2      VAL   3   9.627   2.998   4.436
   32    H    ALA   4           H        ALA   4  10.659   1.741   0.704
   33    HA   ALA   4           HA       ALA   4  10.577  -0.503   0.701
   34   1HB   ALA   4          3HB       ALA   4  11.755   0.448   2.881
   35   2HB   ALA   4          1HB       ALA   4  10.395  -0.355   3.701
   36   3HB   ALA   4          2HB       ALA   4  11.499  -1.301   2.675
   37    H    LYS   5           H        LYS   5   8.093   0.210  -0.015
   38    HA   LYS   5           HA       LYS   5   6.444  -1.645   1.538
   39   1HB   LYS   5          1HB       LYS   5   5.785   1.200   0.787
   40   2HB   LYS   5          2HB       LYS   5   4.517   0.010   1.000
   41   1HG   LYS   5          1HG       LYS   5   6.652   0.284   3.129
   42   2HG   LYS   5          2HG       LYS   5   5.358   1.464   3.064
   43   1HD   LYS   5          1HD       LYS   5   3.781  -0.668   2.945
   44   2HD   LYS   5          2HD       LYS   5   5.174  -1.516   3.588
   45   1HE   LYS   5          1HE       LYS   5   5.182   0.558   5.317
   46   2HE   LYS   5          2HE       LYS   5   3.485   0.620   4.882
   47   1HZ   LYS   5          3HZ       LYS   5   3.514  -1.847   5.358
   48   2HZ   LYS   5          1HZ       LYS   5   4.945  -1.597   6.104
   49   3HZ   LYS   5          2HZ       LYS   5   3.599  -0.844   6.644
   50    H    SER   6           H        SER   6   4.355  -2.158   0.159
   51    HA   SER   6           HA       SER   6   4.832  -1.964  -2.650
   52   1HB   SER   6          1HB       SER   6   6.199  -3.922  -2.185
   53   2HB   SER   6          2HB       SER   6   4.938  -4.643  -1.204
   54    HG   SER   6           HG       SER   6   4.531  -5.654  -3.080
   55    H    SER   7           H        SER   7   2.935  -3.124  -3.872
   56    HA   SER   7           HA       SER   7   0.572  -2.884  -2.177
   57   1HB   SER   7          1HB       SER   7   0.047  -1.243  -3.668
   58   2HB   SER   7          2HB       SER   7   1.248  -1.779  -4.826
   59    HG   SER   7           HG       SER   7  -0.198  -3.310  -5.666
   60    H    ILE   8           H        ILE   8  -0.803  -4.655  -2.072
   61    HA   ILE   8           HA       ILE   8  -0.513  -6.703  -4.131
   62    HB   ILE   8           HB       ILE   8  -0.166  -7.107  -1.167
   63   1HG1  ILE   8          1HG1      ILE   8   1.608  -8.376  -3.180
   64   2HG1  ILE   8          2HG1      ILE   8   1.712  -6.631  -3.067
   65   1HG2  ILE   8          3HG2      ILE   8  -1.815  -8.730  -2.097
   66   2HG2  ILE   8          1HG2      ILE   8  -0.563  -9.282  -3.236
   67   3HG2  ILE   8          2HG2      ILE   8  -0.321  -9.479  -1.484
   68   1HD1  ILE   8          3HD1      ILE   8   1.854  -8.468  -0.636
   69   2HD1  ILE   8          1HD1      ILE   8   3.286  -7.880  -1.515
   70   3HD1  ILE   8          2HD1      ILE   8   2.212  -6.725  -0.690
   71    H    LEU   9           H        LEU   9  -2.483  -7.116  -4.962
   72    HA   LEU   9           HA       LEU   9  -4.783  -6.499  -3.253
   73   1HB   LEU   9          1HB       LEU   9  -4.432  -5.257  -5.415
   74   2HB   LEU   9          2HB       LEU   9  -4.703  -6.770  -6.257
   75    HG   LEU   9           HG       LEU   9  -6.964  -6.873  -5.066
   76   1HD1  LEU   9          1HD1      LEU   9  -6.013  -4.815  -3.566
   77   2HD1  LEU   9          2HD1      LEU   9  -6.974  -3.936  -4.779
   78   3HD1  LEU   9          3HD1      LEU   9  -7.738  -5.198  -3.784
   79   1HD2  LEU   9          3HD2      LEU   9  -6.166  -5.022  -7.266
   80   2HD2  LEU   9          1HD2      LEU   9  -7.212  -6.462  -7.294
   81   3HD2  LEU   9          2HD2      LEU   9  -7.832  -4.924  -6.646
   82    H    LEU  10           H        LEU  10  -6.095  -8.115  -2.552
   83    HA   LEU  10           HA       LEU  10  -5.728 -10.727  -3.848
   84   1HB   LEU  10          1HB       LEU  10  -5.973 -10.035  -0.925
   85   2HB   LEU  10          2HB       LEU  10  -6.278 -11.647  -1.541
   86    HG   LEU  10           HG       LEU  10  -3.687 -10.419  -2.325
   87   1HD1  LEU  10          3HD1      LEU  10  -4.382 -10.060   0.286
   88   2HD1  LEU  10          1HD1      LEU  10  -3.588 -11.652   0.351
   89   3HD1  LEU  10          2HD1      LEU  10  -2.715 -10.248  -0.310
   90   1HD2  LEU  10          3HD2      LEU  10  -4.791 -12.892  -2.586
   91   2HD2  LEU  10          1HD2      LEU  10  -3.046 -12.549  -2.627
   92   3HD2  LEU  10          2HD2      LEU  10  -3.807 -13.107  -1.118
   93    H    ASP  11           H        ASP  11  -7.613 -12.024  -4.102
   94    HA   ASP  11           HA       ASP  11 -10.076 -10.584  -3.518
   95   1HB   ASP  11          1HB       ASP  11  -9.014 -11.088  -6.080
   96   2HB   ASP  11          2HB       ASP  11 -10.209 -12.354  -5.873
   97    H    VAL  12           H        VAL  12 -10.973 -11.896  -1.898
   98    HA   VAL  12           HA       VAL  12 -10.597 -14.774  -2.095
   99    HB   VAL  12           HB       VAL  12 -11.896 -13.138   0.089
  100   1HG1  VAL  12          1HG1      VAL  12 -11.564 -15.960  -0.351
  101   2HG1  VAL  12          2HG1      VAL  12 -10.609 -15.470   1.068
  102   3HG1  VAL  12          3HG1      VAL  12 -12.353 -15.119   1.004
  103   1HG2  VAL  12          2HG2      VAL  12  -9.061 -13.456  -0.638
  104   2HG2  VAL  12          3HG2      VAL  12  -9.851 -12.259   0.415
  105   3HG2  VAL  12          1HG2      VAL  12  -9.427 -13.865   1.055
  106    H    LYS  13           H        LYS  13 -12.366 -16.264  -2.139
  107    HA   LYS  13           HA       LYS  13 -14.841 -15.019  -3.115
  108   1HB   LYS  13          1HB       LYS  13 -13.189 -16.762  -4.451
  109   2HB   LYS  13          2HB       LYS  13 -14.368 -17.857  -3.757
  110   1HG   LYS  13          1HG       LYS  13 -15.752 -17.285  -5.464
  111   2HG   LYS  13          2HG       LYS  13 -15.946 -15.729  -4.682
  112   1HD   LYS  13          1HD       LYS  13 -13.883 -14.915  -5.930
  113   2HD   LYS  13          2HD       LYS  13 -13.860 -16.439  -6.796
  114   1HE   LYS  13          1HE       LYS  13 -16.390 -14.762  -6.754
  115   2HE   LYS  13          2HE       LYS  13 -15.093 -14.359  -7.861
  116   1HZ   LYS  13          1HZ       LYS  13 -15.432 -17.060  -8.073
  117   2HZ   LYS  13          2HZ       LYS  13 -16.949 -16.457  -8.023
  118   3HZ   LYS  13          3HZ       LYS  13 -15.897 -15.929  -9.155
  119    HA   PRO  14           HA       PRO  14 -16.579 -16.719   0.486
  120   1HB   PRO  14          1HB       PRO  14 -19.161 -15.926   0.073
  121   2HB   PRO  14          2HB       PRO  14 -17.941 -14.886   0.780
  122   1HG   PRO  14          1HG       PRO  14 -19.077 -14.819  -1.947
  123   2HG   PRO  14          2HG       PRO  14 -18.198 -13.566  -1.093
  124   1HD   PRO  14          1HD       PRO  14 -17.181 -15.267  -3.166
  125   2HD   PRO  14          2HD       PRO  14 -16.272 -14.096  -2.232
  126    H    TRP  15           H        TRP  15 -17.249 -18.686   1.140
  127    HA   TRP  15           HA       TRP  15 -17.552 -20.674  -0.696
  128   1HB   TRP  15          1HB       TRP  15 -18.226 -20.321   2.168
  129   2HB   TRP  15          2HB       TRP  15 -19.015 -21.652   1.346
  130    HD1  TRP  15           HD       TRP  15 -16.031 -21.126   3.311
  131    HE1  TRP  15          1HE       TRP  15 -14.105 -22.882   2.901
  132    HE3  TRP  15          3HE       TRP  15 -17.891 -22.933  -1.063
  133    HZ2  TRP  15          2HZ       TRP  15 -13.586 -24.786   0.840
  134    HZ3  TRP  15          3HZ       TRP  15 -16.614 -24.740  -2.210
  135    HH2  TRP  15           HH       TRP  15 -14.531 -25.665  -1.327
  136    H    ASP  16           H        ASP  16 -19.884 -18.256   0.468
  137    HA   ASP  16           HA       ASP  16 -21.536 -18.584  -1.693
  138   1HB   ASP  16          1HB       ASP  16 -22.111 -20.393   0.582
  139   2HB   ASP  16          2HB       ASP  16 -23.488 -19.404   0.142
  140    H    ASP  17           H        ASP  17 -23.718 -17.312  -1.258
  141    HA   ASP  17           HA       ASP  17 -23.219 -14.881  -0.308
  142   1HB   ASP  17          1HB       ASP  17 -25.895 -15.149   0.363
  143   2HB   ASP  17          2HB       ASP  17 -25.293 -14.783  -1.241
  144    H    GLU  18           H        GLU  18 -23.944 -17.834   1.512
  145    HA   GLU  18           HA       GLU  18 -24.887 -16.744   3.851
  146   1HB   GLU  18          1HB       GLU  18 -24.162 -18.872   4.897
  147   2HB   GLU  18          2HB       GLU  18 -24.953 -19.152   3.359
  148   1HG   GLU  18          1HG       GLU  18 -22.731 -19.342   2.238
  149   2HG   GLU  18          2HG       GLU  18 -21.927 -19.030   3.763
  150    H    THR  19           H        THR  19 -21.554 -17.117   2.593
  151    HA   THR  19           HA       THR  19 -20.169 -16.606   4.958
  152    HB   THR  19           HB       THR  19 -19.629 -16.280   1.981
  153    HG1  THR  19          1HG       THR  19 -18.619 -18.234   2.465
  154   1HG2  THR  19          2HG2      THR  19 -17.667 -15.796   4.286
  155   2HG2  THR  19          3HG2      THR  19 -17.238 -15.900   2.561
  156   3HG2  THR  19          1HG2      THR  19 -18.233 -14.547   3.151
  157    H    ASP  20           H        ASP  20 -20.725 -14.989   6.315
  158    HA   ASP  20           HA       ASP  20 -21.897 -12.667   5.683
  159   1HB   ASP  20          1HB       ASP  20 -20.449 -13.768   7.921
  160   2HB   ASP  20          2HB       ASP  20 -19.914 -12.112   7.716
  161    H    MET  21           H        MET  21 -21.182 -11.352   3.965
  162    HA   MET  21           HA       MET  21 -18.529 -11.123   3.220
  163   1HB   MET  21          1HB       MET  21 -20.841  -9.151   2.792
  164   2HB   MET  21          2HB       MET  21 -19.383  -9.218   1.824
  165   1HG   MET  21          1HG       MET  21 -21.521 -11.389   2.048
  166   2HG   MET  21          2HG       MET  21 -21.177 -10.401   0.641
  167   1HE   MET  21          2HE       MET  21 -18.603 -10.140  -0.107
  168   2HE   MET  21          3HE       MET  21 -17.841 -11.642  -0.683
  169   3HE   MET  21          1HE       MET  21 -19.471 -11.201  -1.242
  170    H    ALA  22           H        ALA  22 -20.533  -9.280   5.535
  171    HA   ALA  22           HA       ALA  22 -18.800  -7.078   5.782
  172   1HB   ALA  22          3HB       ALA  22 -20.864  -8.295   7.661
  173   2HB   ALA  22          1HB       ALA  22 -20.095  -6.706   7.894
  174   3HB   ALA  22          2HB       ALA  22 -21.133  -6.992   6.477
  175    H    LYS  23           H        LYS  23 -19.046 -10.273   7.429
  176    HA   LYS  23           HA       LYS  23 -16.995  -9.637   9.301
  177   1HB   LYS  23          1HB       LYS  23 -18.985 -11.393   9.359
  178   2HB   LYS  23          2HB       LYS  23 -17.784 -12.452   8.648
  179   1HG   LYS  23          1HG       LYS  23 -16.885 -12.775  10.701
  180   2HG   LYS  23          2HG       LYS  23 -16.439 -11.080  10.753
  181   1HD   LYS  23          1HD       LYS  23 -18.966 -10.708  11.465
  182   2HD   LYS  23          2HD       LYS  23 -18.924 -12.414  11.863
  183   1HE   LYS  23          1HE       LYS  23 -16.619 -10.784  12.871
  184   2HE   LYS  23          2HE       LYS  23 -18.174 -10.440  13.603
  185   1HZ   LYS  23          3HZ       LYS  23 -17.553 -13.228  13.318
  186   2HZ   LYS  23          1HZ       LYS  23 -16.598 -12.415  14.363
  187   3HZ   LYS  23          2HZ       LYS  23 -18.216 -12.432  14.580
  188    H    LEU  24           H        LEU  24 -17.208 -11.477   6.198
  189    HA   LEU  24           HA       LEU  24 -14.565 -12.364   6.213
  190   1HB   LEU  24          1HB       LEU  24 -16.798 -12.679   4.639
  191   2HB   LEU  24          2HB       LEU  24 -15.723 -11.779   3.585
  192    HG   LEU  24           HG       LEU  24 -15.368 -14.523   4.762
  193   1HD1  LEU  24          1HD1      LEU  24 -16.344 -13.807   2.394
  194   2HD1  LEU  24          2HD1      LEU  24 -14.614 -13.772   1.977
  195   3HD1  LEU  24          3HD1      LEU  24 -15.346 -15.266   2.609
  196   1HD2  LEU  24          3HD2      LEU  24 -13.179 -12.630   3.921
  197   2HD2  LEU  24          1HD2      LEU  24 -13.291 -13.654   5.373
  198   3HD2  LEU  24          2HD2      LEU  24 -12.992 -14.396   3.783
  199    H    GLU  25           H        GLU  25 -16.090  -9.305   5.109
  200    HA   GLU  25           HA       GLU  25 -13.703  -8.368   3.934
  201   1HB   GLU  25          1HB       GLU  25 -15.957  -7.589   3.236
  202   2HB   GLU  25          2HB       GLU  25 -16.211  -6.869   4.813
  203   1HG   GLU  25          1HG       GLU  25 -13.769  -5.763   4.079
  204   2HG   GLU  25          2HG       GLU  25 -14.580  -5.891   2.530
  205    H    GLU  26           H        GLU  26 -15.403  -7.832   7.079
  206    HA   GLU  26           HA       GLU  26 -13.603  -5.917   7.995
  207   1HB   GLU  26          1HB       GLU  26 -15.619  -5.933   9.170
  208   2HB   GLU  26          2HB       GLU  26 -15.702  -7.682   9.233
  209   1HG   GLU  26          1HG       GLU  26 -14.439  -7.814  11.153
  210   2HG   GLU  26          2HG       GLU  26 -13.360  -6.523  10.660
  211    H    CYS  27           H        CYS  27 -13.872  -9.484   8.639
  212    HA   CYS  27           HA       CYS  27 -11.901  -9.870  10.385
  213   1HB   CYS  27          1HB       CYS  27 -13.314 -11.652   9.384
  214   2HB   CYS  27          2HB       CYS  27 -12.352 -11.587   7.920
  215    HG   CYS  27           HG       CYS  27 -11.959 -13.484  10.126
  216    H    VAL  28           H        VAL  28 -11.388  -9.967   6.773
  217    HA   VAL  28           HA       VAL  28  -8.723 -10.132   6.654
  218    HB   VAL  28           HB       VAL  28 -10.793  -8.739   5.032
  219   1HG1  VAL  28          1HG1      VAL  28  -7.892  -8.091   4.949
  220   2HG1  VAL  28          2HG1      VAL  28  -8.684  -8.395   3.384
  221   3HG1  VAL  28          3HG1      VAL  28  -9.302  -7.122   4.463
  222   1HG2  VAL  28          3HG2      VAL  28 -10.000 -11.268   5.048
  223   2HG2  VAL  28          1HG2      VAL  28 -10.456 -10.451   3.535
  224   3HG2  VAL  28          2HG2      VAL  28  -8.739 -10.639   3.961
  225    H    ARG  29           H        ARG  29 -10.613  -7.107   7.262
  226    HA   ARG  29           HA       ARG  29  -8.333  -5.510   7.400
  227   1HB   ARG  29          1HB       ARG  29 -11.071  -5.074   7.349
  228   2HB   ARG  29          2HB       ARG  29 -10.700  -4.662   9.011
  229   1HG   ARG  29          1HG       ARG  29  -9.103  -3.542   6.667
  230   2HG   ARG  29          2HG       ARG  29 -10.545  -2.752   7.275
  231   1HD   ARG  29          1HD       ARG  29  -8.457  -3.511   9.306
  232   2HD   ARG  29          2HD       ARG  29  -8.064  -2.189   8.224
  233    HE   ARG  29           HE       ARG  29 -10.156  -2.198  10.299
  234   1HH1  ARG  29          2HH2      ARG  29  -8.889  -0.603   7.429
  235   2HH1  ARG  29          1HH2      ARG  29  -9.669   0.906   7.769
  236   1HH2  ARG  29          2HH1      ARG  29 -11.184  -0.207  10.747
  237   2HH2  ARG  29          1HH1      ARG  29 -10.983   1.132   9.668
  238    H    SER  30           H        SER  30 -10.416  -7.124   9.889
  239    HA   SER  30           HA       SER  30  -9.417  -6.120  12.147
  240   1HB   SER  30          1HB       SER  30 -10.443  -7.897  13.183
  241   2HB   SER  30          2HB       SER  30 -11.092  -8.154  11.576
  242    HG   SER  30           HG       SER  30 -10.121 -10.052  11.573
  243    H    ILE  31           H        ILE  31  -7.775  -8.227   9.824
  244    HA   ILE  31           HA       ILE  31  -5.788  -9.278  11.443
  245    HB   ILE  31           HB       ILE  31  -5.627  -8.476   8.536
  246   1HG1  ILE  31          1HG1      ILE  31  -7.559  -9.836   8.773
  247   2HG1  ILE  31          2HG1      ILE  31  -6.290 -10.859   8.128
  248   1HG2  ILE  31          2HG2      ILE  31  -3.858 -10.044  10.346
  249   2HG2  ILE  31          3HG2      ILE  31  -4.094 -10.654   8.691
  250   3HG2  ILE  31          1HG2      ILE  31  -3.458  -9.012   8.953
  251   1HD1  ILE  31          3HD1      ILE  31  -5.810 -11.692  10.453
  252   2HD1  ILE  31          1HD1      ILE  31  -7.173 -10.715  11.047
  253   3HD1  ILE  31          2HD1      ILE  31  -7.467 -12.056   9.915
  254    H    GLN  32           H        GLN  32  -4.201  -8.354  12.616
  255    HA   GLN  32           HA       GLN  32  -3.457  -5.646  11.824
  256   1HB   GLN  32          1HB       GLN  32  -4.593  -6.074  14.117
  257   2HB   GLN  32          2HB       GLN  32  -3.089  -6.836  14.598
  258   1HG   GLN  32          1HG       GLN  32  -2.012  -4.836  14.820
  259   2HG   GLN  32          2HG       GLN  32  -2.629  -4.233  13.294
  260   1HE2  GLN  32          2HE2      GLN  32  -4.717  -3.657  16.829
  261   2HE2  GLN  32          1HE2      GLN  32  -3.577  -4.948  16.636
  262    H    ALA  33           H        ALA  33  -1.295  -5.190  11.408
  263    HA   ALA  33           HA       ALA  33   0.758  -6.962  12.334
  264   1HB   ALA  33          1HB       ALA  33  -0.350  -7.141   9.575
  265   2HB   ALA  33          2HB       ALA  33   1.425  -7.096   9.705
  266   3HB   ALA  33          3HB       ALA  33   0.502  -8.363  10.549
  267    H    ASP  34           H        ASP  34   2.375  -5.608  12.917
  268    HA   ASP  34           HA       ASP  34   2.380  -2.973  12.603
  269   1HB   ASP  34          1HB       ASP  34   4.040  -4.624  13.829
  270   2HB   ASP  34          2HB       ASP  34   4.996  -4.495  12.366
  271    H    GLY  35           H        GLY  35   3.978  -5.417  10.433
  272   1HA   GLY  35          1HA       GLY  35   4.722  -3.365   8.511
  273   2HA   GLY  35          2HA       GLY  35   5.095  -5.076   8.454
  274    H    LEU  36           H        LEU  36   1.814  -3.755   9.055
  275    HA   LEU  36           HA       LEU  36   1.070  -4.531   6.331
  276   1HB   LEU  36          1HB       LEU  36   0.630  -6.350   8.042
  277   2HB   LEU  36          2HB       LEU  36  -0.548  -5.274   8.765
  278    HG   LEU  36           HG       LEU  36  -1.611  -5.185   6.396
  279   1HD1  LEU  36          2HD1      LEU  36   0.317  -6.284   5.270
  280   2HD1  LEU  36          3HD1      LEU  36  -0.090  -7.790   6.127
  281   3HD1  LEU  36          1HD1      LEU  36  -1.244  -7.085   4.971
  282   1HD2  LEU  36          3HD2      LEU  36  -2.075  -6.715   8.667
  283   2HD2  LEU  36          1HD2      LEU  36  -3.190  -6.468   7.301
  284   3HD2  LEU  36          2HD2      LEU  36  -2.124  -7.893   7.334
  285    H    VAL  37           H        VAL  37  -0.023  -2.938   5.310
  286    HA   VAL  37           HA       VAL  37  -1.264  -0.904   7.035
  287    HB   VAL  37           HB       VAL  37   0.168  -0.643   4.387
  288   1HG1  VAL  37          2HG1      VAL  37  -2.045   0.818   5.097
  289   2HG1  VAL  37          3HG1      VAL  37  -0.720   1.826   5.728
  290   3HG1  VAL  37          1HG1      VAL  37  -0.753   1.376   4.006
  291   1HG2  VAL  37          1HG2      VAL  37   0.940  -0.279   7.176
  292   2HG2  VAL  37          2HG2      VAL  37   1.946  -0.333   5.708
  293   3HG2  VAL  37          3HG2      VAL  37   1.190   1.198   6.213
  294    H    TRP  38           H        TRP  38  -3.415  -1.396   7.059
  295    HA   TRP  38           HA       TRP  38  -4.651  -2.578   4.756
  296   1HB   TRP  38          1HB       TRP  38  -5.537  -1.789   7.510
  297   2HB   TRP  38          2HB       TRP  38  -6.732  -2.120   6.272
  298    HD1  TRP  38           HD       TRP  38  -5.315  -3.930   8.980
  299    HE1  TRP  38          1HE       TRP  38  -5.166  -6.546   8.667
  300    HE3  TRP  38          3HE       TRP  38  -5.907  -3.886   3.929
  301    HZ2  TRP  38          2HZ       TRP  38  -5.309  -8.265   6.393
  302    HZ3  TRP  38          3HZ       TRP  38  -5.890  -6.077   2.740
  303    HH2  TRP  38           HH       TRP  38  -5.605  -8.214   3.889
  304    H    GLY  39           H        GLY  39  -4.978  -1.292   2.981
  305   1HA   GLY  39          1HA       GLY  39  -5.325   1.560   3.265
  306   2HA   GLY  39          2HA       GLY  39  -5.277   0.624   1.784
  307    H    SER  40           H        SER  40  -7.178   0.223   0.705
  308    HA   SER  40           HA       SER  40  -9.614   0.413   2.276
  309   1HB   SER  40          1HB       SER  40  -8.888   2.538   0.810
  310   2HB   SER  40          2HB       SER  40  -9.582   1.597  -0.495
  311    HG   SER  40           HG       SER  40 -11.138   1.743   1.864
  312    H    SER  41           H        SER  41 -11.100  -1.198   1.767
  313    HA   SER  41           HA       SER  41 -10.246  -3.042  -0.271
  314   1HB   SER  41          1HB       SER  41 -12.082  -4.489   0.698
  315   2HB   SER  41          2HB       SER  41 -10.834  -4.040   1.844
  316    HG   SER  41           HG       SER  41 -13.308  -2.567   1.561
  317    H    LYS  42           H        LYS  42 -11.825  -3.901  -1.891
  318    HA   LYS  42           HA       LYS  42 -13.907  -1.922  -2.502
  319   1HB   LYS  42          1HB       LYS  42 -12.534  -3.435  -4.691
  320   2HB   LYS  42          2HB       LYS  42 -13.328  -1.873  -4.735
  321   1HG   LYS  42          1HG       LYS  42 -11.332  -1.294  -2.966
  322   2HG   LYS  42          2HG       LYS  42 -10.538  -2.565  -3.873
  323   1HD   LYS  42          1HD       LYS  42 -11.967  -0.365  -5.384
  324   2HD   LYS  42          2HD       LYS  42 -10.397  -0.029  -4.683
  325   1HE   LYS  42          1HE       LYS  42 -10.496  -2.608  -6.149
  326   2HE   LYS  42          2HE       LYS  42 -10.832  -1.220  -7.165
  327   1HZ   LYS  42          3HZ       LYS  42  -8.800  -0.215  -6.327
  328   2HZ   LYS  42          1HZ       LYS  42  -8.479  -1.544  -5.435
  329   3HZ   LYS  42          2HZ       LYS  42  -8.498  -1.640  -7.065
  330    H    LEU  43           H        LEU  43 -15.808  -2.790  -3.629
  331    HA   LEU  43           HA       LEU  43 -16.112  -5.671  -3.133
  332   1HB   LEU  43          1HB       LEU  43 -17.698  -3.371  -2.231
  333   2HB   LEU  43          2HB       LEU  43 -18.648  -4.639  -2.981
  334    HG   LEU  43           HG       LEU  43 -18.579  -4.946  -0.583
  335   1HD1  LEU  43          2HD1      LEU  43 -17.501  -6.932  -2.454
  336   2HD1  LEU  43          3HD1      LEU  43 -17.097  -7.252  -0.750
  337   3HD1  LEU  43          1HD1      LEU  43 -18.798  -7.070  -1.243
  338   1HD2  LEU  43          3HD2      LEU  43 -15.579  -4.880  -0.934
  339   2HD2  LEU  43          1HD2      LEU  43 -16.603  -3.856   0.101
  340   3HD2  LEU  43          2HD2      LEU  43 -16.367  -5.573   0.504
  341    H    VAL  44           H        VAL  44 -17.567  -6.800  -4.616
  342    HA   VAL  44           HA       VAL  44 -18.386  -5.358  -6.974
  343    HB   VAL  44           HB       VAL  44 -16.246  -7.492  -7.057
  344   1HG1  VAL  44          2HG1      VAL  44 -18.208  -7.476  -8.837
  345   2HG1  VAL  44          3HG1      VAL  44 -17.264  -6.133  -9.526
  346   3HG1  VAL  44          1HG1      VAL  44 -16.517  -7.736  -9.328
  347   1HG2  VAL  44          1HG2      VAL  44 -16.255  -4.573  -7.893
  348   2HG2  VAL  44          2HG2      VAL  44 -15.333  -5.307  -6.560
  349   3HG2  VAL  44          3HG2      VAL  44 -14.946  -5.727  -8.245
  350    HA   PRO  45           HA       PRO  45 -21.378  -8.459  -6.267
  351   1HB   PRO  45          1HB       PRO  45 -23.260  -7.530  -8.017
  352   2HB   PRO  45          2HB       PRO  45 -23.106  -6.941  -6.373
  353   1HG   PRO  45          1HG       PRO  45 -22.300  -5.628  -8.897
  354   2HG   PRO  45          2HG       PRO  45 -22.549  -4.911  -7.317
  355   1HD   PRO  45          1HD       PRO  45 -20.030  -5.500  -8.556
  356   2HD   PRO  45          2HD       PRO  45 -20.282  -4.891  -6.932
  357    H    VAL  46           H        VAL  46 -21.854 -10.472  -7.023
  358    HA   VAL  46           HA       VAL  46 -21.509 -10.861  -9.871
  359    HB   VAL  46           HB       VAL  46 -19.795 -12.250  -7.802
  360   1HG1  VAL  46          2HG1      VAL  46 -20.808 -13.393 -10.091
  361   2HG1  VAL  46          3HG1      VAL  46 -19.241 -12.758 -10.647
  362   3HG1  VAL  46          1HG1      VAL  46 -19.307 -13.883  -9.270
  363   1HG2  VAL  46          3HG2      VAL  46 -19.204 -10.223  -9.964
  364   2HG2  VAL  46          1HG2      VAL  46 -18.795 -10.163  -8.233
  365   3HG2  VAL  46          2HG2      VAL  46 -17.944 -11.297  -9.310
  366    H    GLY  47           H        GLY  47 -23.929 -10.903  -8.903
  367   1HA   GLY  47          1HA       GLY  47 -25.481 -12.727  -9.360
  368   2HA   GLY  47          2HA       GLY  47 -24.502 -13.748  -8.326
  369    H    TYR  48           H        TYR  48 -27.245 -11.750  -8.456
  370    HA   TYR  48           HA       TYR  48 -27.466 -10.314  -6.235
  371   1HB   TYR  48          1HB       TYR  48 -29.250 -10.919  -7.946
  372   2HB   TYR  48          2HB       TYR  48 -29.349 -12.529  -7.263
  373    HD1  TYR  48          1HD       TYR  48 -29.991  -8.937  -6.546
  374    HD2  TYR  48          2HD       TYR  48 -30.721 -12.985  -5.370
  375    HE1  TYR  48          1HE       TYR  48 -31.794  -8.151  -4.936
  376    HE2  TYR  48          2HE       TYR  48 -32.523 -12.185  -3.764
  377    HH   TYR  48           HH       TYR  48 -32.778  -9.168  -2.702
  378    H    GLY  49           H        GLY  49 -26.563 -10.710  -4.257
  379   1HA   GLY  49          1HA       GLY  49 -27.189 -11.777  -2.150
  380   2HA   GLY  49          2HA       GLY  49 -27.226 -13.308  -3.003
  381    H    ILE  50           H        ILE  50 -24.890 -12.998  -4.664
  382    HA   ILE  50           HA       ILE  50 -22.870 -13.324  -2.590
  383    HB   ILE  50           HB       ILE  50 -23.174 -14.244  -5.426
  384   1HG1  ILE  50          1HG1      ILE  50 -22.185 -16.063  -3.337
  385   2HG1  ILE  50          2HG1      ILE  50 -23.768 -15.395  -2.993
  386   1HG2  ILE  50          2HG2      ILE  50 -20.907 -13.283  -5.233
  387   2HG2  ILE  50          3HG2      ILE  50 -20.591 -14.352  -3.845
  388   3HG2  ILE  50          1HG2      ILE  50 -20.894 -15.050  -5.454
  389   1HD1  ILE  50          1HD1      ILE  50 -23.326 -16.328  -5.804
  390   2HD1  ILE  50          2HD1      ILE  50 -23.403 -17.588  -4.550
  391   3HD1  ILE  50          3HD1      ILE  50 -24.770 -16.469  -4.773
  392    H    LYS  51           H        LYS  51 -20.639 -12.447  -3.048
  393    HA   LYS  51           HA       LYS  51 -20.520 -10.207  -4.839
  394   1HB   LYS  51          1HB       LYS  51 -20.923  -9.835  -1.906
  395   2HB   LYS  51          2HB       LYS  51 -19.744  -8.804  -2.690
  396   1HG   LYS  51          1HG       LYS  51 -21.417  -7.520  -3.516
  397   2HG   LYS  51          2HG       LYS  51 -22.016  -8.890  -4.430
  398   1HD   LYS  51          1HD       LYS  51 -23.750  -9.247  -2.985
  399   2HD   LYS  51          2HD       LYS  51 -22.727  -9.074  -1.572
  400   1HE   LYS  51          1HE       LYS  51 -23.660  -7.038  -1.212
  401   2HE   LYS  51          2HE       LYS  51 -22.876  -6.463  -2.670
  402   1HZ   LYS  51          3HZ       LYS  51 -25.015  -7.826  -3.584
  403   2HZ   LYS  51          1HZ       LYS  51 -25.603  -7.104  -2.243
  404   3HZ   LYS  51          2HZ       LYS  51 -24.923  -6.203  -3.423
  405    H    LYS  52           H        LYS  52 -18.266  -9.228  -4.798
  406    HA   LYS  52           HA       LYS  52 -16.400 -11.412  -4.475
  407   1HB   LYS  52          1HB       LYS  52 -16.718  -9.274  -6.291
  408   2HB   LYS  52          2HB       LYS  52 -15.237  -8.937  -5.418
  409   1HG   LYS  52          1HG       LYS  52 -14.491 -11.324  -5.875
  410   2HG   LYS  52          2HG       LYS  52 -15.923 -11.539  -6.863
  411   1HD   LYS  52          1HD       LYS  52 -14.674  -9.100  -7.727
  412   2HD   LYS  52          2HD       LYS  52 -13.402 -10.295  -7.578
  413   1HE   LYS  52          1HE       LYS  52 -14.611 -11.857  -9.042
  414   2HE   LYS  52          2HE       LYS  52 -16.013 -10.806  -9.078
  415   1HZ   LYS  52          3HZ       LYS  52 -14.033  -9.186  -9.870
  416   2HZ   LYS  52          1HZ       LYS  52 -13.580 -10.605 -10.538
  417   3HZ   LYS  52          2HZ       LYS  52 -15.049  -9.977 -10.874
  418    H    LEU  53           H        LEU  53 -14.466 -11.301  -3.207
  419    HA   LEU  53           HA       LEU  53 -14.668  -9.311  -1.056
  420   1HB   LEU  53          1HB       LEU  53 -14.631 -12.150  -0.977
  421   2HB   LEU  53          2HB       LEU  53 -13.110 -11.589  -0.310
  422    HG   LEU  53           HG       LEU  53 -15.119 -11.969   1.270
  423   1HD1  LEU  53          3HD1      LEU  53 -12.842 -10.549   1.517
  424   2HD1  LEU  53          1HD1      LEU  53 -14.037  -9.258   1.790
  425   3HD1  LEU  53          2HD1      LEU  53 -14.051 -10.715   2.814
  426   1HD2  LEU  53          1HD2      LEU  53 -16.417 -10.263  -0.420
  427   2HD2  LEU  53          2HD2      LEU  53 -16.901 -10.609   1.258
  428   3HD2  LEU  53          3HD2      LEU  53 -15.929  -9.164   0.892
  429    H    GLN  54           H        GLN  54 -13.464  -7.864  -2.561
  430    HA   GLN  54           HA       GLN  54 -10.681  -8.685  -2.796
  431   1HB   GLN  54          1HB       GLN  54 -11.541  -8.078  -4.938
  432   2HB   GLN  54          2HB       GLN  54 -12.385  -6.678  -4.307
  433   1HG   GLN  54          1HG       GLN  54 -10.519  -5.348  -4.400
  434   2HG   GLN  54          2HG       GLN  54  -9.467  -6.609  -3.788
  435   1HE2  GLN  54          2HE2      GLN  54  -9.769  -5.785  -7.755
  436   2HE2  GLN  54          1HE2      GLN  54 -10.601  -4.919  -6.506
  437    H    ILE  55           H        ILE  55  -8.996  -7.391  -1.933
  438    HA   ILE  55           HA       ILE  55  -9.766  -4.943  -0.574
  439    HB   ILE  55           HB       ILE  55  -9.437  -5.605   1.528
  440   1HG1  ILE  55          1HG1      ILE  55  -7.015  -6.015   1.101
  441   2HG1  ILE  55          2HG1      ILE  55  -7.711  -7.046   2.335
  442   1HG2  ILE  55          3HG2      ILE  55  -9.933  -8.284   0.204
  443   2HG2  ILE  55          1HG2      ILE  55 -10.066  -7.978   1.953
  444   3HG2  ILE  55          2HG2      ILE  55 -11.146  -7.134   0.818
  445   1HD1  ILE  55          2HD1      ILE  55  -7.975  -8.260  -0.323
  446   2HD1  ILE  55          3HD1      ILE  55  -6.279  -7.894   0.072
  447   3HD1  ILE  55          1HD1      ILE  55  -7.242  -8.927   1.155
  448    H    GLN  56           H        GLN  56  -7.817  -3.672   0.094
  449    HA   GLN  56           HA       GLN  56  -5.449  -4.532  -1.351
  450   1HB   GLN  56          1HB       GLN  56  -6.685  -2.955  -2.816
  451   2HB   GLN  56          2HB       GLN  56  -6.706  -1.758  -1.536
  452   1HG   GLN  56          1HG       GLN  56  -4.797  -1.004  -2.568
  453   2HG   GLN  56          2HG       GLN  56  -4.027  -2.254  -1.612
  454   1HE2  GLN  56          2HE2      GLN  56  -4.767  -2.827  -5.655
  455   2HE2  GLN  56          1HE2      GLN  56  -5.720  -1.745  -4.695
  456    H    CYS  57           H        CYS  57  -3.465  -3.901  -0.384
  457    HA   CYS  57           HA       CYS  57  -3.612  -2.129   1.896
  458   1HB   CYS  57          1HB       CYS  57  -2.348  -3.795   3.323
  459   2HB   CYS  57          2HB       CYS  57  -4.046  -4.143   3.066
  460    HG   CYS  57           HG       CYS  57  -2.337  -5.232   0.631
  461    H    VAL  58           H        VAL  58  -1.089  -2.182   2.830
  462    HA   VAL  58           HA       VAL  58   0.662  -2.257   0.480
  463    HB   VAL  58           HB       VAL  58   0.431  -0.031   2.515
  464   1HG1  VAL  58          1HG1      VAL  58   2.687  -0.879   1.019
  465   2HG1  VAL  58          2HG1      VAL  58   2.087   0.611   0.250
  466   3HG1  VAL  58          3HG1      VAL  58   2.500   0.608   1.981
  467   1HG2  VAL  58          2HG2      VAL  58  -0.660  -0.442  -0.205
  468   2HG2  VAL  58          3HG2      VAL  58  -1.221   0.614   1.115
  469   3HG2  VAL  58          1HG2      VAL  58   0.124   1.132   0.070
  470    H    VAL  59           H        VAL  59   1.965  -3.968   0.969
  471    HA   VAL  59           HA       VAL  59   2.707  -4.427   3.721
  472    HB   VAL  59           HB       VAL  59   3.599  -6.468   2.944
  473   1HG1  VAL  59          3HG1      VAL  59   0.981  -5.606   1.831
  474   2HG1  VAL  59          1HG1      VAL  59   1.654  -7.122   1.187
  475   3HG1  VAL  59          2HG1      VAL  59   1.379  -6.944   2.936
  476   1HG2  VAL  59          3HG2      VAL  59   3.416  -5.354   0.125
  477   2HG2  VAL  59          1HG2      VAL  59   4.906  -5.652   1.053
  478   3HG2  VAL  59          2HG2      VAL  59   3.881  -7.018   0.551
  479    H    GLU  60           H        GLU  60   5.196  -5.065   3.995
  480    HA   GLU  60           HA       GLU  60   6.588  -2.672   3.183
  481   1HB   GLU  60          1HB       GLU  60   6.784  -4.626   5.408
  482   2HB   GLU  60          2HB       GLU  60   8.337  -4.085   4.803
  483   1HG   GLU  60          1HG       GLU  60   6.575  -1.790   4.998
  484   2HG   GLU  60          2HG       GLU  60   6.516  -2.667   6.514
  485    H    ASP  61           H        ASP  61   6.692  -3.430   0.877
  486    HA   ASP  61           HA       ASP  61   7.761  -4.249  -0.821
  487   1HB   ASP  61          1HB       ASP  61   9.804  -3.319  -0.019
  488   2HB   ASP  61          2HB       ASP  61   9.916  -4.467   1.301
  489    H    ASP  62           H        ASP  62   9.550  -6.382   1.476
  490    HA   ASP  62           HA       ASP  62   7.854  -8.589   0.645
  491   1HB   ASP  62          1HB       ASP  62  10.273  -8.278  -0.500
  492   2HB   ASP  62          2HB       ASP  62  10.821  -9.028   0.986
  493    H    LYS  63           H        LYS  63   8.176  -6.835   3.119
  494    HA   LYS  63           HA       LYS  63   9.483  -8.560   5.028
  495   1HB   LYS  63          1HB       LYS  63   9.160  -5.855   4.859
  496   2HB   LYS  63          2HB       LYS  63   7.873  -6.264   5.974
  497   1HG   LYS  63          1HG       LYS  63   9.675  -7.707   7.215
  498   2HG   LYS  63          2HG       LYS  63  10.849  -6.813   6.270
  499   1HD   LYS  63          1HD       LYS  63  10.553  -4.890   7.482
  500   2HD   LYS  63          2HD       LYS  63   8.810  -5.071   7.532
  501   1HE   LYS  63          1HE       LYS  63   8.849  -6.345   9.493
  502   2HE   LYS  63          2HE       LYS  63  10.434  -7.014   9.161
  503   1HZ   LYS  63          2HZ       LYS  63  11.121  -4.537   9.453
  504   2HZ   LYS  63          3HZ       LYS  63   9.750  -4.458  10.337
  505   3HZ   LYS  63          1HZ       LYS  63  10.929  -5.509  10.751
  506    H    VAL  64           H        VAL  64   6.132  -7.306   4.407
  507    HA   VAL  64           HA       VAL  64   5.156  -9.543   6.034
  508    HB   VAL  64           HB       VAL  64   4.211  -6.771   5.469
  509   1HG1  VAL  64          1HG1      VAL  64   2.464  -9.162   5.569
  510   2HG1  VAL  64          2HG1      VAL  64   1.984  -7.812   6.625
  511   3HG1  VAL  64          3HG1      VAL  64   2.171  -7.549   4.875
  512   1HG2  VAL  64          1HG2      VAL  64   4.276  -8.550   7.928
  513   2HG2  VAL  64          2HG2      VAL  64   5.358  -7.187   7.556
  514   3HG2  VAL  64          3HG2      VAL  64   3.636  -6.889   7.895
  515    H    GLY  65           H        GLY  65   5.040 -11.265   4.616
  516   1HA   GLY  65          1HA       GLY  65   4.075 -10.878   1.918
  517   2HA   GLY  65          2HA       GLY  65   4.585 -12.375   2.674
  518    H    THR  66           H        THR  66   2.283 -12.323   1.076
  519    HA   THR  66           HA       THR  66  -0.043 -11.942   2.708
  520    HB   THR  66           HB       THR  66   0.630 -12.876  -0.093
  521    HG1  THR  66          1HG       THR  66  -1.165 -11.003   1.282
  522   1HG2  THR  66          1HG2      THR  66  -1.839 -13.555   1.492
  523   2HG2  THR  66          2HG2      THR  66  -2.091 -12.887  -0.138
  524   3HG2  THR  66          3HG2      THR  66  -1.146 -14.381   0.075
  525    H    ASP  67           H        ASP  67   2.310 -14.470   2.281
  526    HA   ASP  67           HA       ASP  67   0.923 -16.728   2.558
  527   1HB   ASP  67          1HB       ASP  67   2.867 -17.618   3.837
  528   2HB   ASP  67          2HB       ASP  67   3.375 -16.655   2.464
  529    H    MET  68           H        MET  68   1.999 -14.493   5.227
  530    HA   MET  68           HA       MET  68   0.815 -15.967   7.267
  531   1HB   MET  68          1HB       MET  68   2.488 -13.750   7.041
  532   2HB   MET  68          2HB       MET  68   1.008 -12.998   7.605
  533   1HG   MET  68          1HG       MET  68   1.215 -15.263   9.246
  534   2HG   MET  68          2HG       MET  68   2.885 -14.765   9.058
  535   1HE   MET  68          1HE       MET  68  -0.581 -13.721   9.401
  536   2HE   MET  68          2HE       MET  68  -0.612 -13.081  11.061
  537   3HE   MET  68          3HE       MET  68  -0.462 -11.967   9.680
  538    H    LEU  69           H        LEU  69  -0.340 -13.210   5.251
  539    HA   LEU  69           HA       LEU  69  -2.690 -12.741   6.691
  540   1HB   LEU  69          1HB       LEU  69  -2.364 -12.293   3.736
  541   2HB   LEU  69          2HB       LEU  69  -3.336 -11.390   4.881
  542    HG   LEU  69           HG       LEU  69  -0.323 -11.376   4.609
  543   1HD1  LEU  69          2HD1      LEU  69  -2.061  -9.976   3.153
  544   2HD1  LEU  69          3HD1      LEU  69  -1.991  -8.907   4.575
  545   3HD1  LEU  69          1HD1      LEU  69  -0.501  -9.305   3.686
  546   1HD2  LEU  69          1HD2      LEU  69  -1.857 -10.984   6.989
  547   2HD2  LEU  69          2HD2      LEU  69  -0.101 -10.818   6.741
  548   3HD2  LEU  69          3HD2      LEU  69  -1.173  -9.419   6.485
  549    H    GLU  70           H        GLU  70  -1.861 -15.004   4.027
  550    HA   GLU  70           HA       GLU  70  -4.547 -15.831   3.723
  551   1HB   GLU  70          1HB       GLU  70  -2.906 -15.962   1.875
  552   2HB   GLU  70          2HB       GLU  70  -1.934 -17.099   2.788
  553   1HG   GLU  70          1HG       GLU  70  -4.024 -18.618   2.872
  554   2HG   GLU  70          2HG       GLU  70  -4.749 -17.536   1.700
  555    H    GLU  71           H        GLU  71  -1.868 -16.654   5.843
  556    HA   GLU  71           HA       GLU  71  -2.795 -19.249   6.455
  557   1HB   GLU  71          1HB       GLU  71  -0.571 -17.500   7.203
  558   2HB   GLU  71          2HB       GLU  71  -1.208 -18.331   8.608
  559   1HG   GLU  71          1HG       GLU  71  -0.871 -20.016   6.157
  560   2HG   GLU  71          2HG       GLU  71   0.615 -19.435   6.883
  561    H    GLN  72           H        GLN  72  -3.821 -16.061   7.281
  562    HA   GLN  72           HA       GLN  72  -5.222 -17.145   9.599
  563   1HB   GLN  72          1HB       GLN  72  -5.291 -14.844  10.497
  564   2HB   GLN  72          2HB       GLN  72  -3.638 -15.357  10.219
  565   1HG   GLN  72          1HG       GLN  72  -3.892 -14.215   7.872
  566   2HG   GLN  72          2HG       GLN  72  -5.312 -13.444   8.549
  567   1HE2  GLN  72          2HE2      GLN  72  -3.195 -12.007  11.306
  568   2HE2  GLN  72          1HE2      GLN  72  -4.450 -13.198  11.215
  569    H    ILE  73           H        ILE  73  -5.408 -14.876   6.784
  570    HA   ILE  73           HA       ILE  73  -8.097 -14.256   7.020
  571    HB   ILE  73           HB       ILE  73  -6.258 -14.405   4.636
  572   1HG1  ILE  73          1HG1      ILE  73  -7.265 -11.985   6.150
  573   2HG1  ILE  73          2HG1      ILE  73  -5.762 -12.799   6.538
  574   1HG2  ILE  73          3HG2      ILE  73  -9.071 -14.281   4.576
  575   2HG2  ILE  73          1HG2      ILE  73  -8.492 -12.628   4.261
  576   3HG2  ILE  73          2HG2      ILE  73  -7.930 -13.976   3.244
  577   1HD1  ILE  73          3HD1      ILE  73  -5.009 -12.465   4.149
  578   2HD1  ILE  73          1HD1      ILE  73  -6.490 -11.518   3.865
  579   3HD1  ILE  73          2HD1      ILE  73  -5.275 -10.943   5.031
  580    H    THR  74           H        THR  74  -6.943 -16.320   4.300
  581    HA   THR  74           HA       THR  74  -9.367 -17.621   3.987
  582    HB   THR  74           HB       THR  74  -8.075 -19.061   2.485
  583    HG1  THR  74          1HG       THR  74  -6.189 -19.691   3.466
  584   1HG2  THR  74          2HG2      THR  74  -8.034 -16.397   2.122
  585   2HG2  THR  74          3HG2      THR  74  -6.310 -16.603   2.509
  586   3HG2  THR  74          1HG2      THR  74  -7.019 -17.462   1.121
  587    H    ALA  75           H        ALA  75  -6.994 -17.996   6.485
  588    HA   ALA  75           HA       ALA  75  -7.002 -20.586   7.156
  589   1HB   ALA  75          1HB       ALA  75  -6.103 -18.434   8.354
  590   2HB   ALA  75          2HB       ALA  75  -7.631 -18.517   9.263
  591   3HB   ALA  75          3HB       ALA  75  -6.484 -19.876   9.325
  592    H    PHE  76           H        PHE  76  -9.780 -18.385   7.152
  593    HA   PHE  76           HA       PHE  76 -11.401 -20.258   8.636
  594   1HB   PHE  76          1HB       PHE  76 -11.443 -17.454   7.615
  595   2HB   PHE  76          2HB       PHE  76 -12.995 -18.245   7.432
  596    HD1  PHE  76          1HD       PHE  76 -10.351 -18.063  10.076
  597    HD2  PHE  76          2HD       PHE  76 -14.480 -17.826   9.129
  598    HE1  PHE  76          1HE       PHE  76 -10.876 -17.592  12.485
  599    HE2  PHE  76          2HE       PHE  76 -15.006 -17.353  11.538
  600    HZ   PHE  76           HZ       PHE  76 -13.198 -17.242  13.187
  601    H    GLU  77           H        GLU  77 -11.162 -22.092   7.114
  602    HA   GLU  77           HA       GLU  77 -12.050 -21.797   4.466
  603   1HB   GLU  77          1HB       GLU  77 -10.730 -23.763   5.981
  604   2HB   GLU  77          2HB       GLU  77 -12.251 -24.521   5.554
  605   1HG   GLU  77          1HG       GLU  77 -11.874 -24.048   3.163
  606   2HG   GLU  77          2HG       GLU  77 -10.427 -23.133   3.536
  607    H    ASP  78           H        ASP  78 -13.736 -21.604   7.355
  608    HA   ASP  78           HA       ASP  78 -16.028 -23.074   6.449
  609   1HB   ASP  78          1HB       ASP  78 -16.953 -21.826   8.644
  610   2HB   ASP  78          2HB       ASP  78 -15.958 -23.265   8.752
  611    H    TYR  79           H        TYR  79 -14.758 -20.406   5.272
  612    HA   TYR  79           HA       TYR  79 -17.302 -19.153   4.754
  613   1HB   TYR  79          1HB       TYR  79 -14.962 -17.967   6.339
  614   2HB   TYR  79          2HB       TYR  79 -16.001 -16.901   5.416
  615    HD1  TYR  79          2HD       TYR  79 -15.950 -19.337   8.220
  616    HD2  TYR  79          1HD       TYR  79 -18.154 -16.261   6.225
  617    HE1  TYR  79          2HE       TYR  79 -17.594 -19.249  10.156
  618    HE2  TYR  79          1HE       TYR  79 -19.792 -16.183   8.168
  619    HH   TYR  79           HH       TYR  79 -20.471 -17.208   9.987
  620    H    VAL  80           H        VAL  80 -13.707 -19.125   4.433
  621    HA   VAL  80           HA       VAL  80 -13.899 -17.718   1.922
  622    HB   VAL  80           HB       VAL  80 -11.670 -18.794   3.632
  623   1HG1  VAL  80          2HG1      VAL  80 -11.040 -19.241   1.302
  624   2HG1  VAL  80          3HG1      VAL  80 -11.383 -17.546   0.877
  625   3HG1  VAL  80          1HG1      VAL  80 -10.054 -17.932   1.996
  626   1HG2  VAL  80          2HG2      VAL  80 -13.052 -16.403   3.662
  627   2HG2  VAL  80          3HG2      VAL  80 -11.434 -16.680   4.352
  628   3HG2  VAL  80          1HG2      VAL  80 -11.600 -16.006   2.713
  629    H    GLN  81           H        GLN  81 -13.969 -18.633  -0.083
  630    HA   GLN  81           HA       GLN  81 -14.117 -21.498  -0.140
  631   1HB   GLN  81          1HB       GLN  81 -15.784 -20.066  -1.339
  632   2HB   GLN  81          2HB       GLN  81 -14.507 -19.450  -2.368
  633   1HG   GLN  81          1HG       GLN  81 -14.038 -22.019  -2.860
  634   2HG   GLN  81          2HG       GLN  81 -15.672 -22.245  -2.268
  635   1HE2  GLN  81          2HE2      GLN  81 -17.335 -20.828  -5.004
  636   2HE2  GLN  81          1HE2      GLN  81 -17.420 -21.373  -3.362
  637    H    SER  82           H        SER  82 -12.008 -18.835  -1.269
  638    HA   SER  82           HA       SER  82  -9.728 -20.231  -1.254
  639   1HB   SER  82          1HB       SER  82 -11.283 -20.774  -3.749
  640   2HB   SER  82          2HB       SER  82  -9.584 -20.412  -3.977
  641    HG   SER  82           HG       SER  82  -9.065 -22.341  -3.207
  642    H    MET  83           H        MET  83  -8.282 -18.550  -1.166
  643    HA   MET  83           HA       MET  83  -9.071 -16.044  -2.268
  644   1HB   MET  83          1HB       MET  83  -7.952 -16.162  -0.064
  645   2HB   MET  83          2HB       MET  83  -6.589 -17.021  -0.756
  646   1HG   MET  83          1HG       MET  83  -6.016 -15.029  -2.144
  647   2HG   MET  83          2HG       MET  83  -7.406 -14.170  -1.508
  648   1HE   MET  83          1HE       MET  83  -3.999 -15.317  -1.267
  649   2HE   MET  83          2HE       MET  83  -3.338 -14.750   0.285
  650   3HE   MET  83          3HE       MET  83  -4.235 -16.285   0.207
  651    H    ASP  84           H        ASP  84  -7.769 -14.753  -3.775
  652    HA   ASP  84           HA       ASP  84  -5.862 -16.322  -5.293
  653   1HB   ASP  84          1HB       ASP  84  -7.209 -14.739  -7.207
  654   2HB   ASP  84          2HB       ASP  84  -7.280 -16.483  -7.054
  655    H    VAL  85           H        VAL  85  -4.332 -14.904  -6.508
  656    HA   VAL  85           HA       VAL  85  -4.095 -12.304  -5.242
  657    HB   VAL  85           HB       VAL  85  -2.247 -14.050  -5.477
  658   1HG1  VAL  85          3HG1      VAL  85  -2.698 -14.545  -7.883
  659   2HG1  VAL  85          1HG1      VAL  85  -2.091 -12.922  -8.291
  660   3HG1  VAL  85          2HG1      VAL  85  -1.003 -14.118  -7.546
  661   1HG2  VAL  85          1HG2      VAL  85  -1.810 -11.190  -6.397
  662   2HG2  VAL  85          2HG2      VAL  85  -1.778 -11.801  -4.726
  663   3HG2  VAL  85          3HG2      VAL  85  -0.517 -12.298  -5.878
  664    H    ALA  86           H        ALA  86  -4.737 -10.439  -6.193
  665    HA   ALA  86           HA       ALA  86  -5.739 -10.596  -8.900
  666   1HB   ALA  86          1HB       ALA  86  -5.840  -8.594  -6.636
  667   2HB   ALA  86          2HB       ALA  86  -6.315  -8.127  -8.285
  668   3HB   ALA  86          3HB       ALA  86  -7.179  -9.438  -7.448
  669    H    ALA  87           H        ALA  87  -2.866  -9.597  -7.155
  670    HA   ALA  87           HA       ALA  87  -1.444  -9.143  -9.522
  671   1HB   ALA  87          2HB       ALA  87  -3.007  -6.917  -8.685
  672   2HB   ALA  87          3HB       ALA  87  -1.315  -6.539  -8.282
  673   3HB   ALA  87          1HB       ALA  87  -1.759  -6.962  -9.952
  674    H    PHE  88           H        PHE  88   0.841  -8.423  -9.007
  675    HA   PHE  88           HA       PHE  88   1.510  -8.534  -6.195
  676   1HB   PHE  88          1HB       PHE  88   1.608 -10.789  -8.033
  677   2HB   PHE  88          2HB       PHE  88   3.263 -10.312  -7.710
  678    HD1  PHE  88          1HD       PHE  88   2.849  -9.364  -4.849
  679    HD2  PHE  88          2HD       PHE  88   1.562 -12.854  -6.894
  680    HE1  PHE  88          1HE       PHE  88   2.784 -10.616  -2.673
  681    HE2  PHE  88          2HE       PHE  88   1.498 -14.104  -4.718
  682    HZ   PHE  88           HZ       PHE  88   2.110 -12.971  -2.634
  683    H    ASN  89           H        ASN  89   2.242  -6.354  -6.533
  684    HA   ASN  89           HA       ASN  89   4.874  -6.308  -7.651
  685   1HB   ASN  89          1HB       ASN  89   2.593  -5.257  -9.123
  686   2HB   ASN  89          2HB       ASN  89   3.610  -3.913  -8.642
  687   1HD2  ASN  89          2HD2      ASN  89   4.962  -4.837 -11.862
  688   2HD2  ASN  89          1HD2      ASN  89   3.614  -4.029 -11.135
  689    H    LYS  90           H        LYS  90   5.541  -3.670  -7.452
  690    HA   LYS  90           HA       LYS  90   5.218  -3.139  -4.667
  691   1HB   LYS  90          1HB       LYS  90   6.825  -2.057  -6.931
  692   2HB   LYS  90          2HB       LYS  90   6.524  -0.973  -5.587
  693   1HG   LYS  90          1HG       LYS  90   7.779  -2.229  -4.099
  694   2HG   LYS  90          2HG       LYS  90   7.334  -3.754  -4.837
  695   1HD   LYS  90          1HD       LYS  90   9.031  -1.906  -6.489
  696   2HD   LYS  90          2HD       LYS  90   9.805  -2.653  -5.106
  697   1HE   LYS  90          1HE       LYS  90  10.090  -4.528  -6.351
  698   2HE   LYS  90          2HE       LYS  90   8.353  -4.758  -6.323
  699   1HZ   LYS  90          3HZ       LYS  90   8.645  -2.903  -8.215
  700   2HZ   LYS  90          1HZ       LYS  90  10.008  -3.777  -8.430
  701   3HZ   LYS  90          2HZ       LYS  90   8.549  -4.507  -8.506
  702    H    ILE  91           H        ILE  91   4.683  -0.863  -3.958
  703    HA   ILE  91           HA       ILE  91   2.140  -0.068  -5.280
  704    HB   ILE  91           HB       ILE  91   1.864  -0.763  -2.974
  705   1HG1  ILE  91          1HG1      ILE  91   1.792   2.072  -2.322
  706   2HG1  ILE  91          2HG1      ILE  91   1.216   1.796  -3.983
  707   1HG2  ILE  91          1HG2      ILE  91   4.429  -0.066  -2.579
  708   2HG2  ILE  91          2HG2      ILE  91   3.661   1.414  -1.960
  709   3HG2  ILE  91          3HG2      ILE  91   3.264  -0.163  -1.236
  710   1HD1  ILE  91          2HD1      ILE  91   0.250  -0.104  -1.883
  711   2HD1  ILE  91          3HD1      ILE  91  -0.396   1.554  -1.828
  712   3HD1  ILE  91          1HD1      ILE  91  -0.605   0.566  -3.294
   
  No H/Q in entry =         712
  Start of MODEL   15
    1   1H    MET   1          3HN       MET   1  12.771  -1.910  10.184
    2   2H    MET   1           H        MET   1  13.050  -1.207  11.657
    3   3H    MET   1          2HN       MET   1  11.741  -0.745  10.754
    4    HA   MET   1           HA       MET   1  12.978   0.925  10.127
    5   1HB   MET   1          1HB       MET   1  15.112  -0.848  11.252
    6   2HB   MET   1          2HB       MET   1  15.613   0.421  10.109
    7   1HG   MET   1          1HG       MET   1  13.942   1.876  11.618
    8   2HG   MET   1          2HG       MET   1  14.383   0.660  12.828
    9   1HE   MET   1          1HE       MET   1  15.071   2.047  14.363
   10   2HE   MET   1          2HE       MET   1  16.705   1.357  14.512
   11   3HE   MET   1          3HE       MET   1  16.490   3.121  14.403
   12    H    LEU   2           H        LEU   2  11.862  -1.208   8.420
   13    HA   LEU   2           HA       LEU   2  13.907  -1.525   6.382
   14   1HB   LEU   2          1HB       LEU   2  11.443  -2.879   7.167
   15   2HB   LEU   2          2HB       LEU   2  11.544  -2.612   5.438
   16    HG   LEU   2           HG       LEU   2  14.055  -3.643   6.494
   17   1HD1  LEU   2          3HD1      LEU   2  12.483  -4.636   8.165
   18   2HD1  LEU   2          1HD1      LEU   2  11.656  -5.460   6.821
   19   3HD1  LEU   2          2HD1      LEU   2  13.361  -5.828   7.176
   20   1HD2  LEU   2          1HD2      LEU   2  13.434  -3.589   4.117
   21   2HD2  LEU   2          2HD2      LEU   2  13.802  -5.239   4.676
   22   3HD2  LEU   2          3HD2      LEU   2  12.111  -4.736   4.441
   23    H    VAL   3           H        VAL   3  13.028  -1.173   4.015
   24    HA   VAL   3           HA       VAL   3  11.289   1.155   3.894
   25    HB   VAL   3           HB       VAL   3  14.067   1.122   2.702
   26   1HG1  VAL   3          2HG1      VAL   3  11.791   3.106   2.649
   27   2HG1  VAL   3          3HG1      VAL   3  13.479   3.620   2.413
   28   3HG1  VAL   3          1HG1      VAL   3  12.740   2.448   1.294
   29   1HG2  VAL   3          2HG2      VAL   3  12.985   2.496   5.177
   30   2HG2  VAL   3          3HG2      VAL   3  14.355   1.365   5.055
   31   3HG2  VAL   3          1HG2      VAL   3  14.484   2.997   4.355
   32    H    ALA   4           H        ALA   4  10.524   1.565   1.658
   33    HA   ALA   4           HA       ALA   4  10.002   0.961  -0.437
   34   1HB   ALA   4          3HB       ALA   4  12.398  -0.286  -0.216
   35   2HB   ALA   4          1HB       ALA   4  11.335  -1.706  -0.362
   36   3HB   ALA   4          2HB       ALA   4  11.337  -0.460  -1.634
   37    H    LYS   5           H        LYS   5   7.831   0.835   0.277
   38    HA   LYS   5           HA       LYS   5   6.966  -1.800   1.201
   39   1HB   LYS   5          1HB       LYS   5   5.753   0.962   1.386
   40   2HB   LYS   5          2HB       LYS   5   4.819  -0.486   1.706
   41   1HG   LYS   5          1HG       LYS   5   7.441  -0.493   3.080
   42   2HG   LYS   5          2HG       LYS   5   6.431   0.859   3.554
   43   1HD   LYS   5          1HD       LYS   5   5.474  -2.042   3.530
   44   2HD   LYS   5          2HD       LYS   5   6.106  -1.238   4.954
   45   1HE   LYS   5          1HE       LYS   5   3.737  -0.164   3.353
   46   2HE   LYS   5          2HE       LYS   5   3.553  -1.236   4.728
   47   1HZ   LYS   5          1HZ       LYS   5   5.272   0.879   5.382
   48   2HZ   LYS   5          2HZ       LYS   5   3.875   1.479   4.787
   49   3HZ   LYS   5          3HZ       LYS   5   3.849   0.467   6.068
   50    H    SER   6           H        SER   6   4.599  -2.326   0.351
   51    HA   SER   6           HA       SER   6   4.197  -1.450  -2.336
   52   1HB   SER   6          1HB       SER   6   5.520  -4.015  -1.735
   53   2HB   SER   6          2HB       SER   6   4.072  -4.227  -2.699
   54    HG   SER   6           HG       SER   6   6.397  -3.611  -3.665
   55    H    SER   7           H        SER   7   2.182  -2.784  -3.273
   56    HA   SER   7           HA       SER   7   0.441  -3.404  -1.020
   57   1HB   SER   7          1HB       SER   7  -0.411  -1.313  -1.640
   58   2HB   SER   7          2HB       SER   7   0.005  -1.520  -3.330
   59    HG   SER   7           HG       SER   7  -2.116  -2.907  -1.922
   60    H    ILE   8           H        ILE   8  -1.128  -5.085  -1.413
   61    HA   ILE   8           HA       ILE   8  -0.893  -6.401  -4.019
   62    HB   ILE   8           HB       ILE   8  -0.629  -7.718  -1.315
   63   1HG1  ILE   8          1HG1      ILE   8   1.530  -8.548  -2.516
   64   2HG1  ILE   8          2HG1      ILE   8   1.282  -7.176  -3.578
   65   1HG2  ILE   8          3HG2      ILE   8  -1.829  -8.762  -3.639
   66   2HG2  ILE   8          1HG2      ILE   8  -0.206  -9.488  -3.547
   67   3HG2  ILE   8          2HG2      ILE   8  -1.328  -9.639  -2.173
   68   1HD1  ILE   8          3HD1      ILE   8   0.903  -6.301  -0.843
   69   2HD1  ILE   8          1HD1      ILE   8   2.449  -7.175  -0.972
   70   3HD1  ILE   8          2HD1      ILE   8   2.129  -5.773  -2.021
   71    H    LEU   9           H        LEU   9  -2.857  -6.709  -4.921
   72    HA   LEU   9           HA       LEU   9  -5.169  -6.318  -3.200
   73   1HB   LEU   9          1HB       LEU   9  -4.815  -5.026  -5.318
   74   2HB   LEU   9          2HB       LEU   9  -5.025  -6.520  -6.209
   75    HG   LEU   9           HG       LEU   9  -7.313  -6.699  -5.036
   76   1HD1  LEU   9          3HD1      LEU   9  -6.803  -4.954  -3.327
   77   2HD1  LEU   9          1HD1      LEU   9  -6.871  -3.733  -4.620
   78   3HD1  LEU   9          2HD1      LEU   9  -8.321  -4.684  -4.217
   79   1HD2  LEU   9          2HD2      LEU   9  -6.474  -4.990  -7.300
   80   2HD2  LEU   9          3HD2      LEU   9  -7.654  -6.321  -7.230
   81   3HD2  LEU   9          1HD2      LEU   9  -8.113  -4.696  -6.671
   82    H    LEU  10           H        LEU  10  -5.652  -8.180  -2.103
   83    HA   LEU  10           HA       LEU  10  -5.402 -10.709  -3.471
   84   1HB   LEU  10          1HB       LEU  10  -5.996  -9.822  -0.671
   85   2HB   LEU  10          2HB       LEU  10  -6.385 -11.456  -1.168
   86    HG   LEU  10           HG       LEU  10  -3.920 -11.597  -1.950
   87   1HD1  LEU  10          2HD1      LEU  10  -3.811  -9.147  -0.179
   88   2HD1  LEU  10          3HD1      LEU  10  -2.394 -10.151  -0.572
   89   3HD1  LEU  10          1HD1      LEU  10  -3.274  -9.306  -1.868
   90   1HD2  LEU  10          3HD2      LEU  10  -5.232 -12.297   0.385
   91   2HD2  LEU  10          1HD2      LEU  10  -3.625 -12.855  -0.136
   92   3HD2  LEU  10          2HD2      LEU  10  -3.769 -11.461   0.959
   93    H    ASP  11           H        ASP  11  -7.161 -12.169  -3.869
   94    HA   ASP  11           HA       ASP  11  -9.755 -10.851  -3.803
   95   1HB   ASP  11          1HB       ASP  11  -9.080 -10.751  -6.111
   96   2HB   ASP  11          2HB       ASP  11  -8.423 -12.375  -6.071
   97    H    VAL  12           H        VAL  12 -10.736 -12.100  -2.166
   98    HA   VAL  12           HA       VAL  12 -10.327 -14.996  -2.277
   99    HB   VAL  12           HB       VAL  12 -11.482 -13.261  -0.085
  100   1HG1  VAL  12          1HG1      VAL  12 -11.215 -16.164  -0.467
  101   2HG1  VAL  12          2HG1      VAL  12 -10.532 -15.577   1.069
  102   3HG1  VAL  12          3HG1      VAL  12 -12.233 -15.242   0.666
  103   1HG2  VAL  12          3HG2      VAL  12  -8.833 -13.344  -0.914
  104   2HG2  VAL  12          1HG2      VAL  12  -9.422 -12.828   0.684
  105   3HG2  VAL  12          2HG2      VAL  12  -8.886 -14.506   0.432
  106    H    LYS  13           H        LYS  13 -12.181 -16.429  -2.136
  107    HA   LYS  13           HA       LYS  13 -14.616 -15.131  -3.145
  108   1HB   LYS  13          1HB       LYS  13 -13.078 -16.934  -4.486
  109   2HB   LYS  13          2HB       LYS  13 -14.194 -18.015  -3.677
  110   1HG   LYS  13          1HG       LYS  13 -15.931 -17.387  -5.012
  111   2HG   LYS  13          2HG       LYS  13 -15.598 -15.682  -4.779
  112   1HD   LYS  13          1HD       LYS  13 -14.003 -15.625  -6.568
  113   2HD   LYS  13          2HD       LYS  13 -13.842 -17.369  -6.598
  114   1HE   LYS  13          1HE       LYS  13 -15.937 -17.680  -7.671
  115   2HE   LYS  13          2HE       LYS  13 -16.548 -16.121  -7.154
  116   1HZ   LYS  13          2HZ       LYS  13 -14.302 -15.619  -8.649
  117   2HZ   LYS  13          3HZ       LYS  13 -15.136 -16.749  -9.481
  118   3HZ   LYS  13          1HZ       LYS  13 -15.854 -15.339  -9.073
  119    HA   PRO  14           HA       PRO  14 -16.405 -16.634   0.508
  120   1HB   PRO  14          1HB       PRO  14 -18.997 -15.930   0.008
  121   2HB   PRO  14          2HB       PRO  14 -17.807 -14.814   0.648
  122   1HG   PRO  14          1HG       PRO  14 -18.911 -14.977  -2.090
  123   2HG   PRO  14          2HG       PRO  14 -18.069 -13.646  -1.324
  124   1HD   PRO  14          1HD       PRO  14 -16.992 -15.477  -3.251
  125   2HD   PRO  14          2HD       PRO  14 -16.119 -14.219  -2.399
  126    H    TRP  15           H        TRP  15 -17.734 -18.299   1.414
  127    HA   TRP  15           HA       TRP  15 -17.741 -20.553  -0.279
  128   1HB   TRP  15          1HB       TRP  15 -18.283 -19.927   2.512
  129   2HB   TRP  15          2HB       TRP  15 -19.397 -21.124   1.882
  130    HD1  TRP  15           HD       TRP  15 -16.507 -21.338   3.824
  131    HE1  TRP  15          1HE       TRP  15 -14.920 -23.401   3.390
  132    HE3  TRP  15          3HE       TRP  15 -18.364 -22.466  -0.773
  133    HZ2  TRP  15          2HZ       TRP  15 -14.626 -25.232   1.220
  134    HZ3  TRP  15          3HZ       TRP  15 -17.371 -24.406  -1.982
  135    HH2  TRP  15           HH       TRP  15 -15.564 -25.770  -1.058
  136    H    ASP  16           H        ASP  16 -19.947 -17.895   0.333
  137    HA   ASP  16           HA       ASP  16 -21.544 -18.389  -1.766
  138   1HB   ASP  16          1HB       ASP  16 -22.247 -20.090   0.537
  139   2HB   ASP  16          2HB       ASP  16 -23.590 -19.076   0.048
  140    H    ASP  17           H        ASP  17 -23.812 -17.143  -1.436
  141    HA   ASP  17           HA       ASP  17 -23.338 -14.634  -0.675
  142   1HB   ASP  17          1HB       ASP  17 -25.999 -14.790  -0.056
  143   2HB   ASP  17          2HB       ASP  17 -25.387 -14.707  -1.696
  144    H    GLU  18           H        GLU  18 -24.050 -17.450   1.352
  145    HA   GLU  18           HA       GLU  18 -25.024 -16.184   3.595
  146   1HB   GLU  18          1HB       GLU  18 -24.431 -18.230   4.787
  147   2HB   GLU  18          2HB       GLU  18 -25.041 -18.649   3.198
  148   1HG   GLU  18          1HG       GLU  18 -22.600 -18.712   2.393
  149   2HG   GLU  18          2HG       GLU  18 -22.119 -18.554   4.071
  150    H    THR  19           H        THR  19 -21.624 -17.006   2.643
  151    HA   THR  19           HA       THR  19 -20.273 -16.254   4.873
  152    HB   THR  19           HB       THR  19 -19.686 -15.944   1.894
  153    HG1  THR  19          1HG       THR  19 -18.726 -17.629   4.098
  154   1HG2  THR  19          3HG2      THR  19 -17.738 -15.712   4.248
  155   2HG2  THR  19          1HG2      THR  19 -17.298 -15.736   2.523
  156   3HG2  THR  19          2HG2      THR  19 -18.207 -14.358   3.190
  157    H    ASP  20           H        ASP  20 -20.826 -14.587   6.172
  158    HA   ASP  20           HA       ASP  20 -21.956 -12.267   5.430
  159   1HB   ASP  20          1HB       ASP  20 -20.793 -13.348   7.762
  160   2HB   ASP  20          2HB       ASP  20 -19.921 -11.848   7.519
  161    H    MET  21           H        MET  21 -21.181 -10.955   3.747
  162    HA   MET  21           HA       MET  21 -18.461 -10.800   3.124
  163   1HB   MET  21          1HB       MET  21 -20.967  -9.235   2.355
  164   2HB   MET  21          2HB       MET  21 -19.401  -8.732   1.748
  165   1HG   MET  21          1HG       MET  21 -19.303 -11.434   1.200
  166   2HG   MET  21          2HG       MET  21 -21.023 -11.139   1.041
  167   1HE   MET  21          3HE       MET  21 -18.316 -11.798  -0.522
  168   2HE   MET  21          1HE       MET  21 -19.207 -11.692  -2.059
  169   3HE   MET  21          2HE       MET  21 -17.822 -10.614  -1.757
  170    H    ALA  22           H        ALA  22 -20.487  -9.127   5.436
  171    HA   ALA  22           HA       ALA  22 -18.877  -6.767   5.568
  172   1HB   ALA  22          1HB       ALA  22 -21.063  -7.949   7.322
  173   2HB   ALA  22          2HB       ALA  22 -20.290  -6.375   7.631
  174   3HB   ALA  22          3HB       ALA  22 -21.218  -6.633   6.134
  175    H    LYS  23           H        LYS  23 -19.091  -9.932   7.242
  176    HA   LYS  23           HA       LYS  23 -17.203  -9.169   9.248
  177   1HB   LYS  23          1HB       LYS  23 -19.138 -11.025   9.170
  178   2HB   LYS  23          2HB       LYS  23 -17.800 -12.033   8.659
  179   1HG   LYS  23          1HG       LYS  23 -17.141 -12.199  10.820
  180   2HG   LYS  23          2HG       LYS  23 -16.782 -10.485  10.817
  181   1HD   LYS  23          1HD       LYS  23 -19.407 -10.229  11.202
  182   2HD   LYS  23          2HD       LYS  23 -19.295 -11.890  11.750
  183   1HE   LYS  23          1HE       LYS  23 -17.112 -10.493  12.972
  184   2HE   LYS  23          2HE       LYS  23 -18.516  -9.458  13.144
  185   1HZ   LYS  23          3HZ       LYS  23 -19.589 -11.744  13.796
  186   2HZ   LYS  23          1HZ       LYS  23 -18.054 -12.093  14.229
  187   3HZ   LYS  23          2HZ       LYS  23 -18.819 -10.812  14.894
  188    H    LEU  24           H        LEU  24 -17.160 -11.087   6.186
  189    HA   LEU  24           HA       LEU  24 -14.503 -11.894   6.383
  190   1HB   LEU  24          1HB       LEU  24 -16.611 -12.310   4.681
  191   2HB   LEU  24          2HB       LEU  24 -15.521 -11.371   3.681
  192    HG   LEU  24           HG       LEU  24 -14.735 -13.908   5.139
  193   1HD1  LEU  24          2HD1      LEU  24 -16.352 -13.619   2.825
  194   2HD1  LEU  24          3HD1      LEU  24 -14.762 -14.223   2.298
  195   3HD1  LEU  24          1HD1      LEU  24 -15.683 -15.108   3.538
  196   1HD2  LEU  24          2HD2      LEU  24 -13.068 -11.961   4.280
  197   2HD2  LEU  24          3HD2      LEU  24 -12.646 -13.689   4.323
  198   3HD2  LEU  24          1HD2      LEU  24 -13.195 -12.945   2.803
  199    H    GLU  25           H        GLU  25 -16.028  -8.899   5.109
  200    HA   GLU  25           HA       GLU  25 -13.563  -7.920   4.126
  201   1HB   GLU  25          1HB       GLU  25 -15.904  -7.310   3.291
  202   2HB   GLU  25          2HB       GLU  25 -16.091  -6.329   4.731
  203   1HG   GLU  25          1HG       GLU  25 -13.637  -5.447   3.835
  204   2HG   GLU  25          2HG       GLU  25 -14.407  -5.849   2.313
  205    H    GLU  26           H        GLU  26 -15.364  -7.777   7.184
  206    HA   GLU  26           HA       GLU  26 -13.878  -5.590   8.193
  207   1HB   GLU  26          1HB       GLU  26 -15.942  -5.756   9.247
  208   2HB   GLU  26          2HB       GLU  26 -15.933  -7.509   9.244
  209   1HG   GLU  26          1HG       GLU  26 -14.756  -7.654  11.229
  210   2HG   GLU  26          2HG       GLU  26 -13.784  -6.237  10.885
  211    H    CYS  27           H        CYS  27 -14.025  -9.100   9.166
  212    HA   CYS  27           HA       CYS  27 -11.992  -9.191  10.890
  213   1HB   CYS  27          1HB       CYS  27 -13.363 -11.089   9.219
  214   2HB   CYS  27          2HB       CYS  27 -11.659 -11.494   9.248
  215    HG   CYS  27           HG       CYS  27 -13.864 -11.170  11.661
  216    H    VAL  28           H        VAL  28 -11.667  -9.673   7.291
  217    HA   VAL  28           HA       VAL  28  -9.014  -9.931   7.040
  218    HB   VAL  28           HB       VAL  28 -11.155  -8.657   5.424
  219   1HG1  VAL  28          1HG1      VAL  28  -8.210  -8.190   4.965
  220   2HG1  VAL  28          2HG1      VAL  28  -9.351  -8.267   3.600
  221   3HG1  VAL  28          3HG1      VAL  28  -9.563  -7.037   4.870
  222   1HG2  VAL  28          3HG2      VAL  28  -9.386 -11.048   5.334
  223   2HG2  VAL  28          1HG2      VAL  28 -11.108 -10.874   4.918
  224   3HG2  VAL  28          2HG2      VAL  28  -9.857 -10.341   3.770
  225    H    ARG  29           H        ARG  29 -10.793  -6.810   7.486
  226    HA   ARG  29           HA       ARG  29  -8.468  -5.277   7.365
  227   1HB   ARG  29          1HB       ARG  29 -11.294  -4.851   7.687
  228   2HB   ARG  29          2HB       ARG  29 -10.506  -4.009   9.007
  229   1HG   ARG  29          1HG       ARG  29  -8.869  -3.118   7.126
  230   2HG   ARG  29          2HG       ARG  29 -10.145  -3.596   6.025
  231   1HD   ARG  29          1HD       ARG  29 -10.993  -1.507   6.444
  232   2HD   ARG  29          2HD       ARG  29 -11.617  -2.234   7.911
  233    HE   ARG  29           HE       ARG  29  -9.059  -1.499   8.645
  234   1HH1  ARG  29          2HH2      ARG  29 -11.733   0.233   7.151
  235   2HH1  ARG  29          1HH2      ARG  29 -11.282   1.766   7.819
  236   1HH2  ARG  29          2HH1      ARG  29  -8.464   0.523   9.529
  237   2HH2  ARG  29          1HH1      ARG  29  -9.410   1.932   9.182
  238    H    SER  30           H        SER  30 -10.365  -6.771  10.042
  239    HA   SER  30           HA       SER  30  -9.196  -5.544  12.161
  240   1HB   SER  30          1HB       SER  30 -10.213  -7.181  13.447
  241   2HB   SER  30          2HB       SER  30 -11.081  -7.412  11.943
  242    HG   SER  30           HG       SER  30  -9.720  -9.256  13.259
  243    H    ILE  31           H        ILE  31  -7.970  -8.181  10.075
  244    HA   ILE  31           HA       ILE  31  -5.941  -9.162  11.624
  245    HB   ILE  31           HB       ILE  31  -6.100  -8.719   8.645
  246   1HG1  ILE  31          1HG1      ILE  31  -6.586 -11.221  10.287
  247   2HG1  ILE  31          2HG1      ILE  31  -7.855 -10.149   9.728
  248   1HG2  ILE  31          1HG2      ILE  31  -4.089 -10.290  10.270
  249   2HG2  ILE  31          2HG2      ILE  31  -4.357 -10.525   8.527
  250   3HG2  ILE  31          3HG2      ILE  31  -3.781  -8.955   9.134
  251   1HD1  ILE  31          1HD1      ILE  31  -7.040 -10.493   7.357
  252   2HD1  ILE  31          2HD1      ILE  31  -5.886 -11.695   7.983
  253   3HD1  ILE  31          3HD1      ILE  31  -7.637 -11.979   8.134
  254    H    GLN  32           H        GLN  32  -4.076  -8.378  12.467
  255    HA   GLN  32           HA       GLN  32  -3.083  -5.910  11.276
  256   1HB   GLN  32          1HB       GLN  32  -4.301  -6.023  13.754
  257   2HB   GLN  32          2HB       GLN  32  -2.617  -6.235  14.193
  258   1HG   GLN  32          1HG       GLN  32  -2.391  -4.185  12.373
  259   2HG   GLN  32          2HG       GLN  32  -3.987  -3.854  13.016
  260   1HE2  GLN  32          2HE2      GLN  32  -2.953  -2.650  16.102
  261   2HE2  GLN  32          1HE2      GLN  32  -4.235  -3.033  15.001
  262    H    ALA  33           H        ALA  33  -0.735  -5.577  11.506
  263    HA   ALA  33           HA       ALA  33   0.917  -7.494  12.718
  264   1HB   ALA  33          1HB       ALA  33  -0.196  -8.409  10.319
  265   2HB   ALA  33          2HB       ALA  33   1.418  -7.822   9.853
  266   3HB   ALA  33          3HB       ALA  33   1.252  -9.054  11.126
  267    H    ASP  34           H        ASP  34   3.229  -6.984  12.327
  268    HA   ASP  34           HA       ASP  34   3.595  -4.247  12.199
  269   1HB   ASP  34          1HB       ASP  34   5.073  -6.310  13.113
  270   2HB   ASP  34          2HB       ASP  34   5.860  -6.135  11.558
  271    H    GLY  35           H        GLY  35   4.078  -2.880  10.438
  272   1HA   GLY  35          1HA       GLY  35   4.601  -2.223   8.344
  273   2HA   GLY  35          2HA       GLY  35   5.301  -3.800   8.043
  274    H    LEU  36           H        LEU  36   2.104  -4.120   9.257
  275    HA   LEU  36           HA       LEU  36   1.157  -4.627   6.535
  276   1HB   LEU  36          1HB       LEU  36   1.182  -6.511   8.106
  277   2HB   LEU  36          2HB       LEU  36   0.142  -5.624   9.201
  278    HG   LEU  36           HG       LEU  36  -1.406  -5.534   6.999
  279   1HD1  LEU  36          1HD1      LEU  36   0.636  -7.459   6.349
  280   2HD1  LEU  36          2HD1      LEU  36  -0.952  -8.258   6.446
  281   3HD1  LEU  36          3HD1      LEU  36  -0.722  -6.865   5.362
  282   1HD2  LEU  36          1HD2      LEU  36  -1.820  -6.439   9.372
  283   2HD2  LEU  36          2HD2      LEU  36  -2.781  -7.111   8.032
  284   3HD2  LEU  36          3HD2      LEU  36  -1.404  -8.029   8.689
  285    H    VAL  37           H        VAL  37  -0.298  -3.284   5.611
  286    HA   VAL  37           HA       VAL  37  -1.909  -1.630   7.418
  287    HB   VAL  37           HB       VAL  37  -0.258  -0.769   5.047
  288   1HG1  VAL  37          2HG1      VAL  37  -2.626   0.099   4.913
  289   2HG1  VAL  37          3HG1      VAL  37  -2.332   0.936   6.457
  290   3HG1  VAL  37          1HG1      VAL  37  -1.364   1.351   5.022
  291   1HG2  VAL  37          3HG2      VAL  37  -0.149  -0.396   7.975
  292   2HG2  VAL  37          1HG2      VAL  37   1.146  -0.318   6.756
  293   3HG2  VAL  37          2HG2      VAL  37   0.089   1.089   7.022
  294    H    TRP  38           H        TRP  38  -4.061  -1.511   6.870
  295    HA   TRP  38           HA       TRP  38  -4.810  -3.017   4.472
  296   1HB   TRP  38          1HB       TRP  38  -6.165  -2.465   7.093
  297   2HB   TRP  38          2HB       TRP  38  -7.108  -2.899   5.680
  298    HD1  TRP  38           HD       TRP  38  -5.191  -4.492   8.452
  299    HE1  TRP  38          1HE       TRP  38  -4.909  -7.099   8.152
  300    HE3  TRP  38          3HE       TRP  38  -6.676  -4.624   3.590
  301    HZ2  TRP  38          2HZ       TRP  38  -5.330  -8.883   5.966
  302    HZ3  TRP  38          3HZ       TRP  38  -6.712  -6.840   2.446
  303    HH2  TRP  38           HH       TRP  38  -6.070  -8.921   3.555
  304    H    GLY  39           H        GLY  39  -4.305  -1.209   3.026
  305   1HA   GLY  39          1HA       GLY  39  -5.024   1.390   3.200
  306   2HA   GLY  39          2HA       GLY  39  -5.052   0.469   1.709
  307    H    SER  40           H        SER  40  -7.145  -1.270   1.898
  308    HA   SER  40           HA       SER  40  -9.409  -0.686   3.112
  309   1HB   SER  40          1HB       SER  40  -8.784   1.502   1.269
  310   2HB   SER  40          2HB       SER  40 -10.311   0.751   0.848
  311    HG   SER  40           HG       SER  40  -9.564   2.137   3.230
  312    H    SER  41           H        SER  41 -10.968  -2.182   2.419
  313    HA   SER  41           HA       SER  41 -10.162  -3.781   0.186
  314   1HB   SER  41          1HB       SER  41 -11.845  -5.356   0.957
  315   2HB   SER  41          2HB       SER  41 -10.948  -4.780   2.348
  316    HG   SER  41           HG       SER  41 -12.675  -3.415   2.927
  317    H    LYS  42           H        LYS  42 -12.022  -4.582  -1.353
  318    HA   LYS  42           HA       LYS  42 -13.940  -2.440  -1.859
  319   1HB   LYS  42          1HB       LYS  42 -13.325  -2.793  -4.367
  320   2HB   LYS  42          2HB       LYS  42 -12.369  -1.711  -3.376
  321   1HG   LYS  42          1HG       LYS  42 -10.812  -3.712  -2.902
  322   2HG   LYS  42          2HG       LYS  42 -11.689  -4.583  -4.143
  323   1HD   LYS  42          1HD       LYS  42 -10.856  -1.884  -5.023
  324   2HD   LYS  42          2HD       LYS  42  -9.498  -2.893  -4.566
  325   1HE   LYS  42          1HE       LYS  42  -9.768  -3.459  -6.831
  326   2HE   LYS  42          2HE       LYS  42 -10.664  -4.740  -6.040
  327   1HZ   LYS  42          1HZ       LYS  42 -12.351  -2.556  -6.420
  328   2HZ   LYS  42          2HZ       LYS  42 -11.620  -2.892  -7.842
  329   3HZ   LYS  42          3HZ       LYS  42 -12.467  -4.053  -7.064
  330    H    LEU  43           H        LEU  43 -15.631  -3.199  -3.509
  331    HA   LEU  43           HA       LEU  43 -16.001  -6.099  -3.215
  332   1HB   LEU  43          1HB       LEU  43 -17.763  -3.840  -2.496
  333   2HB   LEU  43          2HB       LEU  43 -18.537  -5.155  -3.359
  334    HG   LEU  43           HG       LEU  43 -18.856  -5.659  -1.101
  335   1HD1  LEU  43          1HD1      LEU  43 -17.520  -7.408  -2.677
  336   2HD1  LEU  43          2HD1      LEU  43 -16.419  -7.323  -1.281
  337   3HD1  LEU  43          3HD1      LEU  43 -18.122  -7.786  -1.045
  338   1HD2  LEU  43          1HD2      LEU  43 -16.969  -3.956  -0.451
  339   2HD2  LEU  43          2HD2      LEU  43 -17.434  -5.264   0.662
  340   3HD2  LEU  43          3HD2      LEU  43 -15.968  -5.423  -0.334
  341    H    VAL  44           H        VAL  44 -17.158  -7.146  -4.972
  342    HA   VAL  44           HA       VAL  44 -17.691  -5.575  -7.323
  343    HB   VAL  44           HB       VAL  44 -15.460  -7.615  -7.267
  344   1HG1  VAL  44          2HG1      VAL  44 -17.233  -6.997  -9.375
  345   2HG1  VAL  44          3HG1      VAL  44 -15.705  -6.164  -9.752
  346   3HG1  VAL  44          1HG1      VAL  44 -15.713  -7.920  -9.461
  347   1HG2  VAL  44          1HG2      VAL  44 -15.473  -4.618  -7.741
  348   2HG2  VAL  44          2HG2      VAL  44 -14.684  -5.506  -6.414
  349   3HG2  VAL  44          3HG2      VAL  44 -14.085  -5.680  -8.081
  350    HA   PRO  45           HA       PRO  45 -20.488  -8.988  -6.959
  351   1HB   PRO  45          1HB       PRO  45 -22.638  -7.742  -8.095
  352   2HB   PRO  45          2HB       PRO  45 -22.295  -7.683  -6.378
  353   1HG   PRO  45          1HG       PRO  45 -21.910  -5.577  -8.417
  354   2HG   PRO  45          2HG       PRO  45 -21.981  -5.418  -6.673
  355   1HD   PRO  45          1HD       PRO  45 -19.624  -5.349  -8.308
  356   2HD   PRO  45          2HD       PRO  45 -19.688  -5.304  -6.557
  357    H    VAL  46           H        VAL  46 -20.985 -10.693  -8.269
  358    HA   VAL  46           HA       VAL  46 -20.173 -10.204 -11.040
  359    HB   VAL  46           HB       VAL  46 -18.983 -11.899  -9.625
  360   1HG1  VAL  46          2HG1      VAL  46 -20.910 -12.752  -8.370
  361   2HG1  VAL  46          3HG1      VAL  46 -21.606 -13.414  -9.869
  362   3HG1  VAL  46          1HG1      VAL  46 -20.078 -14.068  -9.234
  363   1HG2  VAL  46          2HG2      VAL  46 -19.019 -11.924 -12.125
  364   2HG2  VAL  46          3HG2      VAL  46 -18.807 -13.534 -11.392
  365   3HG2  VAL  46          1HG2      VAL  46 -20.391 -13.056 -12.053
  366    H    GLY  47           H        GLY  47 -22.765 -11.554  -8.935
  367   1HA   GLY  47          1HA       GLY  47 -24.590 -11.341 -11.248
  368   2HA   GLY  47          2HA       GLY  47 -24.571 -12.769 -10.232
  369    H    TYR  48           H        TYR  48 -26.356 -12.757  -8.933
  370    HA   TYR  48           HA       TYR  48 -26.893 -10.263  -7.472
  371   1HB   TYR  48          1HB       TYR  48 -28.425 -11.044  -9.525
  372   2HB   TYR  48          2HB       TYR  48 -28.971 -12.302  -8.435
  373    HD1  TYR  48          1HD       TYR  48 -28.387  -8.592  -8.204
  374    HD2  TYR  48          2HD       TYR  48 -31.016 -11.881  -7.446
  375    HE1  TYR  48          1HE       TYR  48 -30.106  -6.999  -7.217
  376    HE2  TYR  48          2HE       TYR  48 -32.727 -10.277  -6.461
  377    HH   TYR  48           HH       TYR  48 -32.358  -6.848  -6.753
  378    H    GLY  49           H        GLY  49 -25.758 -11.098  -5.629
  379   1HA   GLY  49          1HA       GLY  49 -27.011 -12.123  -3.580
  380   2HA   GLY  49          2HA       GLY  49 -26.776 -13.602  -4.491
  381    H    ILE  50           H        ILE  50 -24.283 -13.454  -5.593
  382    HA   ILE  50           HA       ILE  50 -22.597 -13.237  -3.208
  383    HB   ILE  50           HB       ILE  50 -22.399 -14.902  -5.711
  384   1HG1  ILE  50          1HG1      ILE  50 -22.123 -16.487  -3.431
  385   2HG1  ILE  50          2HG1      ILE  50 -23.369 -15.336  -2.994
  386   1HG2  ILE  50          3HG2      ILE  50 -20.329 -14.415  -3.563
  387   2HG2  ILE  50          1HG2      ILE  50 -20.316 -15.842  -4.628
  388   3HG2  ILE  50          2HG2      ILE  50 -20.167 -14.210  -5.325
  389   1HD1  ILE  50          2HD1      ILE  50 -24.250 -15.918  -5.482
  390   2HD1  ILE  50          3HD1      ILE  50 -23.382 -17.433  -5.139
  391   3HD1  ILE  50          1HD1      ILE  50 -24.698 -16.898  -4.066
  392    H    LYS  51           H        LYS  51 -20.336 -12.453  -3.549
  393    HA   LYS  51           HA       LYS  51 -19.985 -10.794  -5.897
  394   1HB   LYS  51          1HB       LYS  51 -19.775  -9.523  -3.163
  395   2HB   LYS  51          2HB       LYS  51 -19.688  -8.743  -4.729
  396   1HG   LYS  51          1HG       LYS  51 -22.078  -9.436  -5.170
  397   2HG   LYS  51          2HG       LYS  51 -22.152 -10.121  -3.559
  398   1HD   LYS  51          1HD       LYS  51 -21.746  -7.919  -2.542
  399   2HD   LYS  51          2HD       LYS  51 -21.466  -7.198  -4.114
  400   1HE   LYS  51          1HE       LYS  51 -23.683  -6.727  -4.222
  401   2HE   LYS  51          2HE       LYS  51 -23.994  -8.445  -4.359
  402   1HZ   LYS  51          2HZ       LYS  51 -23.769  -8.379  -1.821
  403   2HZ   LYS  51          3HZ       LYS  51 -24.053  -6.778  -1.974
  404   3HZ   LYS  51          1HZ       LYS  51 -25.158  -7.858  -2.504
  405    H    LYS  52           H        LYS  52 -17.687  -9.755  -5.786
  406    HA   LYS  52           HA       LYS  52 -15.917 -11.906  -5.028
  407   1HB   LYS  52          1HB       LYS  52 -16.013  -9.984  -7.095
  408   2HB   LYS  52          2HB       LYS  52 -14.601  -9.583  -6.139
  409   1HG   LYS  52          1HG       LYS  52 -13.799 -11.934  -6.303
  410   2HG   LYS  52          2HG       LYS  52 -15.232 -12.376  -7.208
  411   1HD   LYS  52          1HD       LYS  52 -13.969 -10.058  -8.447
  412   2HD   LYS  52          2HD       LYS  52 -12.782 -11.329  -8.234
  413   1HE   LYS  52          1HE       LYS  52 -14.364 -12.953  -9.343
  414   2HE   LYS  52          2HE       LYS  52 -15.495 -11.642  -9.608
  415   1HZ   LYS  52          3HZ       LYS  52 -12.819 -11.135 -10.510
  416   2HZ   LYS  52          1HZ       LYS  52 -13.601 -12.320 -11.318
  417   3HZ   LYS  52          2HZ       LYS  52 -14.243 -10.820 -11.244
  418    H    LEU  53           H        LEU  53 -14.689 -11.973  -3.214
  419    HA   LEU  53           HA       LEU  53 -14.865  -9.675  -1.448
  420   1HB   LEU  53          1HB       LEU  53 -15.230 -12.243  -0.932
  421   2HB   LEU  53          2HB       LEU  53 -13.489 -12.226  -0.733
  422    HG   LEU  53           HG       LEU  53 -14.946 -11.911   1.347
  423   1HD1  LEU  53          2HD1      LEU  53 -12.730  -9.945   0.713
  424   2HD1  LEU  53          3HD1      LEU  53 -13.358 -10.288   2.343
  425   3HD1  LEU  53          1HD1      LEU  53 -12.559 -11.575   1.408
  426   1HD2  LEU  53          1HD2      LEU  53 -16.318 -10.093   0.025
  427   2HD2  LEU  53          2HD2      LEU  53 -16.050  -9.948   1.779
  428   3HD2  LEU  53          3HD2      LEU  53 -15.054  -9.003   0.646
  429    H    GLN  54           H        GLN  54 -13.514  -8.376  -3.007
  430    HA   GLN  54           HA       GLN  54 -10.729  -9.165  -2.934
  431   1HB   GLN  54          1HB       GLN  54 -12.430  -7.593  -4.748
  432   2HB   GLN  54          2HB       GLN  54 -10.932  -6.761  -4.376
  433   1HG   GLN  54          1HG       GLN  54  -9.592  -8.440  -5.326
  434   2HG   GLN  54          2HG       GLN  54 -10.780  -9.698  -5.053
  435   1HE2  GLN  54          2HE2      GLN  54 -11.016  -7.180  -8.333
  436   2HE2  GLN  54          1HE2      GLN  54 -10.128  -6.756  -6.907
  437    H    ILE  55           H        ILE  55  -9.130  -7.982  -1.847
  438    HA   ILE  55           HA       ILE  55  -9.997  -5.529  -0.521
  439    HB   ILE  55           HB       ILE  55  -9.096  -6.226   1.589
  440   1HG1  ILE  55          1HG1      ILE  55  -7.345  -7.757   0.558
  441   2HG1  ILE  55          2HG1      ILE  55  -8.090  -8.296   2.050
  442   1HG2  ILE  55          1HG2      ILE  55 -11.437  -7.228   0.414
  443   2HG2  ILE  55          2HG2      ILE  55 -10.722  -8.598   1.298
  444   3HG2  ILE  55          3HG2      ILE  55 -11.069  -7.073   2.150
  445   1HD1  ILE  55          2HD1      ILE  55  -9.656  -9.194  -0.252
  446   2HD1  ILE  55          3HD1      ILE  55  -7.962  -9.723  -0.382
  447   3HD1  ILE  55          1HD1      ILE  55  -8.921 -10.154   1.054
  448    H    GLN  56           H        GLN  56  -8.085  -4.252   0.300
  449    HA   GLN  56           HA       GLN  56  -5.710  -4.919  -1.249
  450   1HB   GLN  56          1HB       GLN  56  -6.893  -3.158  -2.468
  451   2HB   GLN  56          2HB       GLN  56  -7.054  -2.193  -1.013
  452   1HG   GLN  56          1HG       GLN  56  -4.649  -1.829  -0.887
  453   2HG   GLN  56          2HG       GLN  56  -4.341  -3.014  -2.141
  454   1HE2  GLN  56          2HE2      GLN  56  -4.022  -0.215  -4.240
  455   2HE2  GLN  56          1HE2      GLN  56  -3.212  -1.424  -3.300
  456    H    CYS  57           H        CYS  57  -3.689  -4.316  -0.279
  457    HA   CYS  57           HA       CYS  57  -3.869  -3.083   2.346
  458   1HB   CYS  57          1HB       CYS  57  -2.219  -4.885   3.178
  459   2HB   CYS  57          2HB       CYS  57  -3.923  -5.287   3.105
  460    HG   CYS  57           HG       CYS  57  -3.929  -6.871   1.266
  461    H    VAL  58           H        VAL  58  -1.346  -2.897   3.133
  462    HA   VAL  58           HA       VAL  58   0.294  -2.324   0.779
  463    HB   VAL  58           HB       VAL  58  -0.314  -0.447   3.069
  464   1HG1  VAL  58          3HG1      VAL  58   2.005  -0.613   1.252
  465   2HG1  VAL  58          1HG1      VAL  58   1.233   0.989   1.324
  466   3HG1  VAL  58          2HG1      VAL  58   1.825   0.219   2.815
  467   1HG2  VAL  58          3HG2      VAL  58  -2.021  -0.459   1.318
  468   2HG2  VAL  58          1HG2      VAL  58  -1.102   1.065   1.288
  469   3HG2  VAL  58          2HG2      VAL  58  -0.773  -0.197   0.076
  470    H    VAL  59           H        VAL  59   1.167  -4.471   1.480
  471    HA   VAL  59           HA       VAL  59   2.558  -4.459   4.015
  472    HB   VAL  59           HB       VAL  59   3.132  -6.752   3.409
  473   1HG1  VAL  59          3HG1      VAL  59   0.280  -5.821   3.263
  474   2HG1  VAL  59          1HG1      VAL  59   0.652  -7.546   3.035
  475   3HG1  VAL  59          2HG1      VAL  59   1.118  -6.726   4.545
  476   1HG2  VAL  59          1HG2      VAL  59   2.728  -5.861   0.760
  477   2HG2  VAL  59          2HG2      VAL  59   3.173  -7.497   1.306
  478   3HG2  VAL  59          3HG2      VAL  59   1.461  -7.071   1.074
  479    H    GLU  60           H        GLU  60   4.942  -5.476   3.811
  480    HA   GLU  60           HA       GLU  60   6.348  -3.509   2.280
  481   1HB   GLU  60          1HB       GLU  60   6.799  -4.926   4.701
  482   2HB   GLU  60          2HB       GLU  60   8.059  -5.461   3.609
  483   1HG   GLU  60          1HG       GLU  60   7.479  -2.508   3.693
  484   2HG   GLU  60          2HG       GLU  60   8.287  -3.204   5.083
  485    H    ASP  61           H        ASP  61   8.531  -4.385   1.192
  486    HA   ASP  61           HA       ASP  61   7.688  -6.637  -0.456
  487   1HB   ASP  61          1HB       ASP  61   8.381  -4.059  -1.231
  488   2HB   ASP  61          2HB       ASP  61   9.903  -4.905  -1.430
  489    H    ASP  62           H        ASP  62   9.533  -5.945   2.170
  490    HA   ASP  62           HA       ASP  62  11.375  -8.044   1.563
  491   1HB   ASP  62          1HB       ASP  62  12.409  -5.732   0.884
  492   2HB   ASP  62          2HB       ASP  62  12.503  -5.419   2.606
  493    H    LYS  63           H        LYS  63   9.038  -7.310   3.384
  494    HA   LYS  63           HA       LYS  63  10.436  -7.703   5.935
  495   1HB   LYS  63          1HB       LYS  63   9.283  -5.378   5.426
  496   2HB   LYS  63          2HB       LYS  63   7.816  -6.247   5.832
  497   1HG   LYS  63          1HG       LYS  63   8.460  -6.594   8.054
  498   2HG   LYS  63          2HG       LYS  63  10.172  -6.580   7.679
  499   1HD   LYS  63          1HD       LYS  63   9.989  -4.497   8.696
  500   2HD   LYS  63          2HD       LYS  63   9.694  -4.029   7.033
  501   1HE   LYS  63          1HE       LYS  63   7.151  -4.554   7.640
  502   2HE   LYS  63          2HE       LYS  63   7.703  -4.350   9.291
  503   1HZ   LYS  63          3HZ       LYS  63   8.268  -2.361   7.214
  504   2HZ   LYS  63          1HZ       LYS  63   6.911  -2.311   8.121
  505   3HZ   LYS  63          2HZ       LYS  63   8.374  -2.177   8.833
  506    H    VAL  64           H        VAL  64   6.974  -7.713   4.865
  507    HA   VAL  64           HA       VAL  64   6.903 -10.532   5.697
  508    HB   VAL  64           HB       VAL  64   5.768  -8.768   7.169
  509   1HG1  VAL  64          1HG1      VAL  64   3.898  -8.759   4.782
  510   2HG1  VAL  64          2HG1      VAL  64   3.423  -8.215   6.409
  511   3HG1  VAL  64          3HG1      VAL  64   4.724  -7.373   5.532
  512   1HG2  VAL  64          1HG2      VAL  64   5.287 -11.394   6.790
  513   2HG2  VAL  64          2HG2      VAL  64   4.382 -10.393   7.950
  514   3HG2  VAL  64          3HG2      VAL  64   3.694 -10.737   6.345
  515    H    GLY  65           H        GLY  65   4.690 -11.519   4.692
  516   1HA   GLY  65          1HA       GLY  65   4.528 -10.636   1.878
  517   2HA   GLY  65          2HA       GLY  65   4.817 -12.315   2.289
  518    H    THR  66           H        THR  66   2.644 -12.088   0.818
  519    HA   THR  66           HA       THR  66   0.297 -11.426   2.316
  520    HB   THR  66           HB       THR  66   0.914 -12.683  -0.394
  521    HG1  THR  66          1HG       THR  66   0.005 -10.573  -0.959
  522   1HG2  THR  66          1HG2      THR  66  -1.351 -13.466   0.761
  523   2HG2  THR  66          2HG2      THR  66  -1.855 -11.785   0.466
  524   3HG2  THR  66          3HG2      THR  66  -1.396 -12.829  -0.900
  525    H    ASP  67           H        ASP  67   2.365 -14.225   2.027
  526    HA   ASP  67           HA       ASP  67   0.742 -16.304   2.311
  527   1HB   ASP  67          1HB       ASP  67   2.578 -17.026   4.158
  528   2HB   ASP  67          2HB       ASP  67   2.942 -16.974   2.445
  529    H    MET  68           H        MET  68   2.253 -14.729   5.234
  530    HA   MET  68           HA       MET  68   0.811 -15.791   7.164
  531   1HB   MET  68          1HB       MET  68   2.530 -13.649   6.942
  532   2HB   MET  68          2HB       MET  68   1.049 -12.791   7.316
  533   1HG   MET  68          1HG       MET  68   1.056 -14.950   9.137
  534   2HG   MET  68          2HG       MET  68   2.734 -14.445   9.074
  535   1HE   MET  68          1HE       MET  68  -0.742 -13.839   9.577
  536   2HE   MET  68          2HE       MET  68  -0.694 -12.978  11.133
  537   3HE   MET  68          3HE       MET  68  -0.953 -12.072   9.623
  538    H    LEU  69           H        LEU  69  -0.220 -12.768   5.414
  539    HA   LEU  69           HA       LEU  69  -2.596 -12.354   6.663
  540   1HB   LEU  69          1HB       LEU  69  -1.572 -11.843   3.905
  541   2HB   LEU  69          2HB       LEU  69  -3.269 -11.554   4.236
  542    HG   LEU  69           HG       LEU  69  -0.872 -10.207   5.486
  543   1HD1  LEU  69          1HD1      LEU  69  -3.161  -9.318   3.740
  544   2HD1  LEU  69          2HD1      LEU  69  -2.234  -8.163   4.727
  545   3HD1  LEU  69          3HD1      LEU  69  -1.410  -9.133   3.484
  546   1HD2  LEU  69          3HD2      LEU  69  -3.603 -10.554   6.590
  547   2HD2  LEU  69          1HD2      LEU  69  -2.050 -10.268   7.413
  548   3HD2  LEU  69          2HD2      LEU  69  -2.920  -8.912   6.656
  549    H    GLU  70           H        GLU  70  -2.260 -14.188   3.538
  550    HA   GLU  70           HA       GLU  70  -4.766 -15.106   3.379
  551   1HB   GLU  70          1HB       GLU  70  -2.896 -15.460   1.723
  552   2HB   GLU  70          2HB       GLU  70  -2.276 -16.746   2.738
  553   1HG   GLU  70          1HG       GLU  70  -4.839 -17.607   2.541
  554   2HG   GLU  70          2HG       GLU  70  -4.766 -16.688   1.050
  555    H    GLU  71           H        GLU  71  -2.027 -16.864   5.014
  556    HA   GLU  71           HA       GLU  71  -3.408 -18.994   5.908
  557   1HB   GLU  71          1HB       GLU  71  -0.881 -17.850   6.365
  558   2HB   GLU  71          2HB       GLU  71  -1.575 -17.974   7.969
  559   1HG   GLU  71          1HG       GLU  71  -2.120 -20.401   6.416
  560   2HG   GLU  71          2HG       GLU  71  -0.400 -20.062   6.452
  561    H    GLN  72           H        GLN  72  -3.709 -15.648   6.928
  562    HA   GLN  72           HA       GLN  72  -5.120 -16.451   9.322
  563   1HB   GLN  72          1HB       GLN  72  -3.512 -14.626   9.572
  564   2HB   GLN  72          2HB       GLN  72  -4.257 -13.726   8.266
  565   1HG   GLN  72          1HG       GLN  72  -5.996 -12.984   9.580
  566   2HG   GLN  72          2HG       GLN  72  -6.143 -14.508  10.432
  567   1HE2  GLN  72          2HE2      GLN  72  -5.046 -12.240  13.021
  568   2HE2  GLN  72          1HE2      GLN  72  -6.443 -12.668  12.090
  569    H    ILE  73           H        ILE  73  -5.597 -14.836   6.145
  570    HA   ILE  73           HA       ILE  73  -8.313 -14.183   6.648
  571    HB   ILE  73           HB       ILE  73  -6.793 -14.410   4.047
  572   1HG1  ILE  73          1HG1      ILE  73  -7.308 -11.878   5.610
  573   2HG1  ILE  73          2HG1      ILE  73  -5.878 -12.852   5.888
  574   1HG2  ILE  73          2HG2      ILE  73  -9.480 -13.245   4.767
  575   2HG2  ILE  73          3HG2      ILE  73  -8.557 -12.678   3.355
  576   3HG2  ILE  73          1HG2      ILE  73  -9.058 -14.383   3.465
  577   1HD1  ILE  73          1HD1      ILE  73  -5.274 -12.678   3.477
  578   2HD1  ILE  73          2HD1      ILE  73  -6.725 -11.685   3.195
  579   3HD1  ILE  73          3HD1      ILE  73  -5.414 -11.073   4.234
  580    H    THR  74           H        THR  74  -6.870 -16.556   4.298
  581    HA   THR  74           HA       THR  74  -9.269 -17.930   3.905
  582    HB   THR  74           HB       THR  74  -6.972 -17.866   2.593
  583    HG1  THR  74          1HG       THR  74  -9.083 -19.215   2.376
  584   1HG2  THR  74          2HG2      THR  74  -6.634 -20.313   4.407
  585   2HG2  THR  74          3HG2      THR  74  -5.632 -19.926   2.987
  586   3HG2  THR  74          1HG2      THR  74  -5.580 -18.879   4.425
  587    H    ALA  75           H        ALA  75  -6.995 -17.991   6.568
  588    HA   ALA  75           HA       ALA  75  -7.132 -20.460   7.580
  589   1HB   ALA  75          1HB       ALA  75  -6.619 -17.843   8.527
  590   2HB   ALA  75          2HB       ALA  75  -7.769 -18.562   9.679
  591   3HB   ALA  75          3HB       ALA  75  -6.228 -19.381   9.331
  592    H    PHE  76           H        PHE  76  -9.819 -18.169   7.207
  593    HA   PHE  76           HA       PHE  76 -11.561 -19.802   8.833
  594   1HB   PHE  76          1HB       PHE  76 -11.447 -17.123   7.532
  595   2HB   PHE  76          2HB       PHE  76 -13.025 -17.866   7.361
  596    HD1  PHE  76          1HD       PHE  76 -13.543 -19.199   9.831
  597    HD2  PHE  76          2HD       PHE  76 -11.495 -15.537   9.196
  598    HE1  PHE  76          1HE       PHE  76 -14.141 -18.463  12.154
  599    HE2  PHE  76          2HE       PHE  76 -12.093 -14.801  11.521
  600    HZ   PHE  76           HZ       PHE  76 -13.409 -16.272  12.971
  601    H    GLU  77           H        GLU  77 -11.078 -21.733   7.326
  602    HA   GLU  77           HA       GLU  77 -11.960 -21.702   4.709
  603   1HB   GLU  77          1HB       GLU  77 -12.268 -24.312   5.341
  604   2HB   GLU  77          2HB       GLU  77 -10.696 -23.581   5.087
  605   1HG   GLU  77          1HG       GLU  77 -11.002 -24.975   7.244
  606   2HG   GLU  77          2HG       GLU  77 -10.257 -23.399   7.420
  607    H    ASP  78           H        ASP  78 -13.734 -21.440   7.632
  608    HA   ASP  78           HA       ASP  78 -16.053 -22.782   6.636
  609   1HB   ASP  78          1HB       ASP  78 -15.079 -21.978   9.169
  610   2HB   ASP  78          2HB       ASP  78 -16.478 -20.957   8.903
  611    H    TYR  79           H        TYR  79 -14.654 -20.196   5.448
  612    HA   TYR  79           HA       TYR  79 -17.142 -18.817   4.912
  613   1HB   TYR  79          1HB       TYR  79 -14.602 -17.581   6.146
  614   2HB   TYR  79          2HB       TYR  79 -15.928 -16.622   5.519
  615    HD1  TYR  79          1HD       TYR  79 -18.215 -16.818   6.634
  616    HD2  TYR  79          2HD       TYR  79 -14.651 -18.442   8.357
  617    HE1  TYR  79          1HE       TYR  79 -19.350 -16.915   8.908
  618    HE2  TYR  79          2HE       TYR  79 -15.797 -18.533  10.624
  619    HH   TYR  79           HH       TYR  79 -18.403 -16.851  11.393
  620    H    VAL  80           H        VAL  80 -13.571 -19.078   4.472
  621    HA   VAL  80           HA       VAL  80 -13.737 -17.751   1.917
  622    HB   VAL  80           HB       VAL  80 -11.456 -19.123   3.353
  623   1HG1  VAL  80          3HG1      VAL  80 -11.652 -17.663   0.746
  624   2HG1  VAL  80          1HG1      VAL  80 -10.190 -17.439   1.736
  625   3HG1  VAL  80          2HG1      VAL  80 -10.660 -19.070   1.199
  626   1HG2  VAL  80          1HG2      VAL  80 -12.769 -16.631   3.853
  627   2HG2  VAL  80          2HG2      VAL  80 -11.337 -17.320   4.655
  628   3HG2  VAL  80          3HG2      VAL  80 -11.143 -16.292   3.215
  629    H    GLN  81           H        GLN  81 -14.002 -18.723  -0.038
  630    HA   GLN  81           HA       GLN  81 -14.367 -21.568   0.012
  631   1HB   GLN  81          1HB       GLN  81 -15.963 -19.999  -1.153
  632   2HB   GLN  81          2HB       GLN  81 -14.696 -19.604  -2.298
  633   1HG   GLN  81          1HG       GLN  81 -14.658 -22.378  -2.372
  634   2HG   GLN  81          2HG       GLN  81 -16.358 -22.062  -2.090
  635   1HE2  GLN  81          2HE2      GLN  81 -14.582 -21.348  -5.686
  636   2HE2  GLN  81          1HE2      GLN  81 -13.751 -21.968  -4.298
  637    H    SER  82           H        SER  82 -12.039 -19.140  -1.125
  638    HA   SER  82           HA       SER  82  -9.955 -20.829  -1.284
  639   1HB   SER  82          1HB       SER  82 -11.599 -20.873  -3.796
  640   2HB   SER  82          2HB       SER  82  -9.859 -20.803  -3.993
  641    HG   SER  82           HG       SER  82  -9.632 -22.741  -2.794
  642    H    MET  83           H        MET  83  -8.425 -19.271  -0.905
  643    HA   MET  83           HA       MET  83  -8.854 -16.635  -1.873
  644   1HB   MET  83          1HB       MET  83  -7.848 -17.001   0.344
  645   2HB   MET  83          2HB       MET  83  -6.590 -18.014  -0.335
  646   1HG   MET  83          1HG       MET  83  -6.864 -15.166  -1.329
  647   2HG   MET  83          2HG       MET  83  -6.110 -15.449   0.228
  648   1HE   MET  83          2HE       MET  83  -4.174 -14.762   0.078
  649   2HE   MET  83          3HE       MET  83  -2.809 -15.795  -0.408
  650   3HE   MET  83          1HE       MET  83  -3.362 -14.488  -1.482
  651    H    ASP  84           H        ASP  84  -7.336 -15.399  -3.224
  652    HA   ASP  84           HA       ASP  84  -5.396 -16.928  -4.667
  653   1HB   ASP  84          1HB       ASP  84  -8.004 -16.016  -5.843
  654   2HB   ASP  84          2HB       ASP  84  -6.580 -15.751  -6.829
  655    H    VAL  85           H        VAL  85  -4.790 -15.118  -6.711
  656    HA   VAL  85           HA       VAL  85  -4.301 -12.645  -5.205
  657    HB   VAL  85           HB       VAL  85  -2.767 -14.044  -7.399
  658   1HG1  VAL  85          3HG1      VAL  85  -2.616 -11.220  -6.404
  659   2HG1  VAL  85          1HG1      VAL  85  -1.106 -12.063  -6.824
  660   3HG1  VAL  85          2HG1      VAL  85  -2.386 -11.868  -8.046
  661   1HG2  VAL  85          1HG2      VAL  85  -2.539 -14.857  -5.023
  662   2HG2  VAL  85          2HG2      VAL  85  -1.026 -14.300  -5.776
  663   3HG2  VAL  85          3HG2      VAL  85  -1.875 -13.259  -4.609
  664    H    ALA  86           H        ALA  86  -5.005 -10.697  -6.015
  665    HA   ALA  86           HA       ALA  86  -6.701 -10.881  -8.375
  666   1HB   ALA  86          1HB       ALA  86  -7.053  -9.718  -5.915
  667   2HB   ALA  86          2HB       ALA  86  -6.493  -8.331  -6.878
  668   3HB   ALA  86          3HB       ALA  86  -7.932  -9.244  -7.389
  669    H    ALA  87           H        ALA  87  -3.710  -9.364  -7.130
  670    HA   ALA  87           HA       ALA  87  -2.636  -9.025  -9.668
  671   1HB   ALA  87          1HB       ALA  87  -4.582  -7.214  -9.484
  672   2HB   ALA  87          2HB       ALA  87  -3.340  -6.315  -8.580
  673   3HB   ALA  87          3HB       ALA  87  -3.027  -6.822 -10.257
  674    H    PHE  88           H        PHE  88  -0.752  -7.128  -9.382
  675    HA   PHE  88           HA       PHE  88   0.216  -7.087  -6.672
  676   1HB   PHE  88          1HB       PHE  88   0.993  -9.079  -8.682
  677   2HB   PHE  88          2HB       PHE  88   2.374  -8.053  -8.344
  678    HD1  PHE  88          1HD       PHE  88  -0.143 -10.246  -6.731
  679    HD2  PHE  88          2HD       PHE  88   3.633  -8.343  -6.380
  680    HE1  PHE  88          1HE       PHE  88   0.331 -11.569  -4.650
  681    HE2  PHE  88          2HE       PHE  88   4.107  -9.665  -4.299
  682    HZ   PHE  88           HZ       PHE  88   2.450 -11.261  -3.459
  683    H    ASN  89           H        ASN  89   0.723  -4.952  -6.495
  684    HA   ASN  89           HA       ASN  89   2.414  -3.882  -8.596
  685   1HB   ASN  89          1HB       ASN  89   0.153  -2.290  -7.286
  686   2HB   ASN  89          2HB       ASN  89   1.170  -1.764  -8.613
  687   1HD2  ASN  89          2HD2      ASN  89  -2.217  -3.005  -9.769
  688   2HD2  ASN  89          1HD2      ASN  89  -1.690  -1.922  -8.524
  689    H    LYS  90           H        LYS  90   3.387  -1.646  -7.719
  690    HA   LYS  90           HA       LYS  90   4.130  -2.126  -4.934
  691   1HB   LYS  90          1HB       LYS  90   5.915  -0.326  -5.654
  692   2HB   LYS  90          2HB       LYS  90   6.107  -2.016  -6.073
  693   1HG   LYS  90          1HG       LYS  90   5.317  -1.657  -8.326
  694   2HG   LYS  90          2HG       LYS  90   4.690  -0.068  -7.937
  695   1HD   LYS  90          1HD       LYS  90   7.477  -0.058  -7.241
  696   2HD   LYS  90          2HD       LYS  90   7.353  -0.792  -8.826
  697   1HE   LYS  90          1HE       LYS  90   5.722   1.246  -9.339
  698   2HE   LYS  90          2HE       LYS  90   6.507   1.985  -7.958
  699   1HZ   LYS  90          2HZ       LYS  90   8.633   1.543  -9.053
  700   2HZ   LYS  90          3HZ       LYS  90   7.848   0.968 -10.365
  701   3HZ   LYS  90          1HZ       LYS  90   7.678   2.534  -9.933
  702    H    ILE  91           H        ILE  91   3.746  -0.699  -3.350
  703    HA   ILE  91           HA       ILE  91   2.577   1.930  -4.031
  704    HB   ILE  91           HB       ILE  91   1.237  -0.290  -2.473
  705   1HG1  ILE  91          1HG1      ILE  91   0.465   1.643  -4.691
  706   2HG1  ILE  91          2HG1      ILE  91   0.556  -0.133  -4.770
  707   1HG2  ILE  91          2HG2      ILE  91   0.774   2.715  -2.268
  708   2HG2  ILE  91          3HG2      ILE  91  -0.356   1.480  -1.663
  709   3HG2  ILE  91          1HG2      ILE  91   1.272   1.619  -0.957
  710   1HD1  ILE  91          3HD1      ILE  91  -1.196   0.142  -2.715
  711   2HD1  ILE  91          1HD1      ILE  91  -1.568   1.626  -3.624
  712   3HD1  ILE  91          2HD1      ILE  91  -1.707   0.039  -4.417
   
  No H/Q in entry =         712
  Start of MODEL   16
    1   1H    MET   1          2HN       MET   1  15.082   5.249   5.499
    2   2H    MET   1          3HN       MET   1  15.350   6.289   6.758
    3   3H    MET   1           H        MET   1  16.298   4.945   6.579
    4    HA   MET   1           HA       MET   1  15.002   4.065   8.089
    5   1HB   MET   1          1HB       MET   1  13.210   6.321   7.230
    6   2HB   MET   1          2HB       MET   1  12.503   4.959   8.131
    7   1HG   MET   1          1HG       MET   1  14.287   5.240   9.859
    8   2HG   MET   1          2HG       MET   1  14.868   6.667   8.985
    9   1HE   MET   1          1HE       MET   1  13.934   6.249  12.087
   10   2HE   MET   1          2HE       MET   1  14.658   7.778  11.534
   11   3HE   MET   1          3HE       MET   1  13.116   7.794  12.422
   12    H    LEU   2           H        LEU   2  12.416   3.036   7.951
   13    HA   LEU   2           HA       LEU   2  12.709   1.040   6.054
   14   1HB   LEU   2          1HB       LEU   2  10.857   1.810   8.112
   15   2HB   LEU   2          2HB       LEU   2   9.968   1.287   6.693
   16    HG   LEU   2           HG       LEU   2  12.218  -0.401   7.761
   17   1HD1  LEU   2          2HD1      LEU   2  10.180   0.362   9.427
   18   2HD1  LEU   2          3HD1      LEU   2   9.544  -1.146   8.725
   19   3HD1  LEU   2          1HD1      LEU   2  11.117  -1.146   9.561
   20   1HD2  LEU   2          1HD2      LEU   2  10.265  -0.620   5.674
   21   2HD2  LEU   2          2HD2      LEU   2  11.590  -1.728   6.101
   22   3HD2  LEU   2          3HD2      LEU   2   9.993  -1.911   6.868
   23    H    VAL   3           H        VAL   3  12.019   0.738   3.954
   24    HA   VAL   3           HA       VAL   3  10.180   2.613   2.786
   25    HB   VAL   3           HB       VAL   3  12.571   3.618   2.791
   26   1HG1  VAL   3          2HG1      VAL   3  13.696   1.559   1.990
   27   2HG1  VAL   3          3HG1      VAL   3  12.822   1.705   0.446
   28   3HG1  VAL   3          1HG1      VAL   3  13.991   2.957   0.929
   29   1HG2  VAL   3          3HG2      VAL   3  10.347   3.835   1.074
   30   2HG2  VAL   3          1HG2      VAL   3  11.656   5.018   1.314
   31   3HG2  VAL   3          2HG2      VAL   3  11.778   3.806   0.015
   32    H    ALA   4           H        ALA   4  10.138   2.021   0.231
   33    HA   ALA   4           HA       ALA   4   9.807   0.476  -1.328
   34   1HB   ALA   4          1HB       ALA   4  11.975  -0.622   0.234
   35   2HB   ALA   4          2HB       ALA   4  10.895  -1.936  -0.289
   36   3HB   ALA   4          3HB       ALA   4  11.616  -0.844  -1.495
   37    H    LYS   5           H        LYS   5   7.541   0.641  -0.861
   38    HA   LYS   5           HA       LYS   5   6.543  -1.580   0.785
   39   1HB   LYS   5          1HB       LYS   5   5.515   1.222   0.348
   40   2HB   LYS   5          2HB       LYS   5   4.438  -0.063   0.860
   41   1HG   LYS   5          1HG       LYS   5   7.014   0.113   2.367
   42   2HG   LYS   5          2HG       LYS   5   5.930   1.471   2.585
   43   1HD   LYS   5          1HD       LYS   5   4.296  -0.870   2.723
   44   2HD   LYS   5          2HD       LYS   5   5.725  -1.222   3.675
   45   1HE   LYS   5          1HE       LYS   5   4.107  -0.178   5.153
   46   2HE   LYS   5          2HE       LYS   5   5.399   0.978   4.893
   47   1HZ   LYS   5          1HZ       LYS   5   3.820   1.656   2.932
   48   2HZ   LYS   5          2HZ       LYS   5   2.680   1.044   3.928
   49   3HZ   LYS   5          3HZ       LYS   5   3.634   2.267   4.435
   50    H    SER   6           H        SER   6   4.160  -2.167   0.007
   51    HA   SER   6           HA       SER   6   3.860  -1.913  -2.821
   52   1HB   SER   6          1HB       SER   6   5.394  -3.800  -2.797
   53   2HB   SER   6          2HB       SER   6   4.484  -4.603  -1.533
   54    HG   SER   6           HG       SER   6   3.507  -4.037  -4.204
   55    H    SER   7           H        SER   7   1.749  -3.058  -3.536
   56    HA   SER   7           HA       SER   7  -0.058  -3.126  -1.245
   57   1HB   SER   7          1HB       SER   7  -0.862  -1.260  -2.343
   58   2HB   SER   7          2HB       SER   7  -0.251  -1.773  -3.903
   59    HG   SER   7           HG       SER   7  -2.543  -1.891  -3.911
   60    H    ILE   8           H        ILE   8  -0.351  -5.322  -0.889
   61    HA   ILE   8           HA       ILE   8  -0.539  -7.091  -3.168
   62    HB   ILE   8           HB       ILE   8  -0.803  -7.774  -0.247
   63   1HG1  ILE   8          1HG1      ILE   8   1.265  -6.455  -0.642
   64   2HG1  ILE   8          2HG1      ILE   8   1.567  -8.100  -0.119
   65   1HG2  ILE   8          3HG2      ILE   8  -1.154  -9.307  -2.527
   66   2HG2  ILE   8          1HG2      ILE   8   0.514  -9.674  -2.024
   67   3HG2  ILE   8          2HG2      ILE   8  -0.831  -9.909  -0.883
   68   1HD1  ILE   8          2HD1      ILE   8   1.380  -7.857  -3.060
   69   2HD1  ILE   8          3HD1      ILE   8   2.696  -6.890  -2.353
   70   3HD1  ILE   8          1HD1      ILE   8   2.626  -8.644  -2.062
   71    H    LEU   9           H        LEU   9  -2.433  -7.115  -4.264
   72    HA   LEU   9           HA       LEU   9  -4.881  -6.706  -2.732
   73   1HB   LEU   9          1HB       LEU   9  -4.447  -5.304  -4.700
   74   2HB   LEU   9          2HB       LEU   9  -4.376  -6.734  -5.711
   75    HG   LEU   9           HG       LEU   9  -6.804  -7.166  -4.783
   76   1HD1  LEU   9          1HD1      LEU   9  -6.493  -5.136  -3.204
   77   2HD1  LEU   9          2HD1      LEU   9  -6.848  -4.160  -4.650
   78   3HD1  LEU   9          3HD1      LEU   9  -8.042  -5.341  -4.057
   79   1HD2  LEU   9          2HD2      LEU   9  -5.721  -6.006  -7.113
   80   2HD2  LEU   9          3HD2      LEU   9  -7.310  -6.780  -6.907
   81   3HD2  LEU   9          1HD2      LEU   9  -7.139  -5.024  -6.675
   82    H    LEU  10           H        LEU  10  -5.985  -8.436  -2.007
   83    HA   LEU  10           HA       LEU  10  -5.572 -10.958  -3.453
   84   1HB   LEU  10          1HB       LEU  10  -6.032 -10.303  -0.563
   85   2HB   LEU  10          2HB       LEU  10  -6.484 -11.875  -1.194
   86    HG   LEU  10           HG       LEU  10  -4.141 -12.225  -1.949
   87   1HD1  LEU  10          2HD1      LEU  10  -3.921  -9.421  -1.291
   88   2HD1  LEU  10          3HD1      LEU  10  -2.710 -10.373  -0.402
   89   3HD1  LEU  10          1HD1      LEU  10  -2.795 -10.476  -2.177
   90   1HD2  LEU  10          3HD2      LEU  10  -4.486 -11.615   1.000
   91   2HD2  LEU  10          1HD2      LEU  10  -4.890 -13.140   0.176
   92   3HD2  LEU  10          2HD2      LEU  10  -3.194 -12.611   0.288
   93    H    ASP  11           H        ASP  11  -7.416 -12.304  -3.886
   94    HA   ASP  11           HA       ASP  11  -9.929 -10.850  -3.642
   95   1HB   ASP  11          1HB       ASP  11  -8.553 -11.514  -6.033
   96   2HB   ASP  11          2HB       ASP  11  -9.837 -12.701  -5.918
   97    H    VAL  12           H        VAL  12 -10.614 -12.150  -1.828
   98    HA   VAL  12           HA       VAL  12 -10.461 -15.032  -2.094
   99    HB   VAL  12           HB       VAL  12 -11.561 -13.313   0.138
  100   1HG1  VAL  12          3HG1      VAL  12 -11.420 -16.189  -0.313
  101   2HG1  VAL  12          1HG1      VAL  12 -10.565 -15.709   1.172
  102   3HG1  VAL  12          2HG1      VAL  12 -12.275 -15.271   0.950
  103   1HG2  VAL  12          1HG2      VAL  12  -9.078 -12.995  -0.545
  104   2HG2  VAL  12          2HG2      VAL  12  -9.464 -13.292   1.168
  105   3HG2  VAL  12          3HG2      VAL  12  -8.840 -14.615   0.154
  106    H    LYS  13           H        LYS  13 -12.322 -16.419  -2.059
  107    HA   LYS  13           HA       LYS  13 -14.738 -15.035  -2.989
  108   1HB   LYS  13          1HB       LYS  13 -13.242 -16.890  -4.343
  109   2HB   LYS  13          2HB       LYS  13 -14.445 -17.912  -3.584
  110   1HG   LYS  13          1HG       LYS  13 -16.018 -17.229  -5.065
  111   2HG   LYS  13          2HG       LYS  13 -15.789 -15.559  -4.586
  112   1HD   LYS  13          1HD       LYS  13 -13.820 -15.403  -6.150
  113   2HD   LYS  13          2HD       LYS  13 -14.111 -17.055  -6.655
  114   1HE   LYS  13          1HE       LYS  13 -16.501 -15.273  -6.795
  115   2HE   LYS  13          2HE       LYS  13 -15.199 -14.837  -7.884
  116   1HZ   LYS  13          2HZ       LYS  13 -16.293 -17.554  -7.681
  117   2HZ   LYS  13          3HZ       LYS  13 -16.778 -16.460  -8.792
  118   3HZ   LYS  13          1HZ       LYS  13 -15.238 -17.005  -8.799
  119    HA   PRO  14           HA       PRO  14 -16.498 -16.551   0.680
  120   1HB   PRO  14          1HB       PRO  14 -19.039 -15.618   0.300
  121   2HB   PRO  14          2HB       PRO  14 -17.745 -14.635   0.957
  122   1HG   PRO  14          1HG       PRO  14 -18.935 -14.565  -1.748
  123   2HG   PRO  14          2HG       PRO  14 -17.966 -13.347  -0.942
  124   1HD   PRO  14          1HD       PRO  14 -17.094 -15.151  -2.993
  125   2HD   PRO  14          2HD       PRO  14 -16.099 -14.014  -2.107
  126    H    TRP  15           H        TRP  15 -17.536 -18.343   1.486
  127    HA   TRP  15           HA       TRP  15 -17.830 -20.460  -0.196
  128   1HB   TRP  15          1HB       TRP  15 -18.470 -19.820   2.543
  129   2HB   TRP  15          2HB       TRP  15 -19.721 -20.834   1.852
  130    HD1  TRP  15           HD       TRP  15 -17.075 -21.550   3.954
  131    HE1  TRP  15          1HE       TRP  15 -15.762 -23.801   3.544
  132    HE3  TRP  15          3HE       TRP  15 -18.658 -22.215  -0.832
  133    HZ2  TRP  15          2HZ       TRP  15 -15.537 -25.569   1.316
  134    HZ3  TRP  15          3HZ       TRP  15 -17.845 -24.230  -2.054
  135    HH2  TRP  15           HH       TRP  15 -16.337 -25.876  -1.056
  136    H    ASP  16           H        ASP  16 -20.096 -17.803   0.566
  137    HA   ASP  16           HA       ASP  16 -21.471 -18.039  -1.768
  138   1HB   ASP  16          1HB       ASP  16 -22.324 -19.997   0.196
  139   2HB   ASP  16          2HB       ASP  16 -23.619 -18.839  -0.033
  140    H    ASP  17           H        ASP  17 -23.969 -17.009  -1.227
  141    HA   ASP  17           HA       ASP  17 -23.459 -14.482  -0.339
  142   1HB   ASP  17          1HB       ASP  17 -25.691 -14.090  -0.802
  143   2HB   ASP  17          2HB       ASP  17 -25.525 -15.640  -1.602
  144    H    GLU  18           H        GLU  18 -23.957 -17.446   1.424
  145    HA   GLU  18           HA       GLU  18 -25.122 -16.327   3.729
  146   1HB   GLU  18          1HB       GLU  18 -24.384 -18.546   4.767
  147   2HB   GLU  18          2HB       GLU  18 -25.439 -18.668   3.375
  148   1HG   GLU  18          1HG       GLU  18 -23.671 -19.331   1.926
  149   2HG   GLU  18          2HG       GLU  18 -22.430 -18.698   2.989
  150    H    THR  19           H        THR  19 -21.805 -16.777   2.519
  151    HA   THR  19           HA       THR  19 -20.478 -16.423   4.981
  152    HB   THR  19           HB       THR  19 -19.806 -16.267   2.027
  153    HG1  THR  19          1HG       THR  19 -19.922 -18.288   3.284
  154   1HG2  THR  19          2HG2      THR  19 -17.907 -15.655   4.355
  155   2HG2  THR  19          3HG2      THR  19 -17.415 -15.931   2.666
  156   3HG2  THR  19          1HG2      THR  19 -18.384 -14.498   3.089
  157    H    ASP  20           H        ASP  20 -20.859 -14.740   6.300
  158    HA   ASP  20           HA       ASP  20 -21.854 -12.343   5.582
  159   1HB   ASP  20          1HB       ASP  20 -20.714 -13.530   7.901
  160   2HB   ASP  20          2HB       ASP  20 -19.839 -12.026   7.688
  161    H    MET  21           H        MET  21 -21.010 -10.916   4.050
  162    HA   MET  21           HA       MET  21 -18.267 -10.967   3.402
  163   1HB   MET  21          1HB       MET  21 -20.444  -8.922   2.691
  164   2HB   MET  21          2HB       MET  21 -18.922  -9.114   1.844
  165   1HG   MET  21          1HG       MET  21 -21.006 -11.335   2.098
  166   2HG   MET  21          2HG       MET  21 -20.900 -10.256   0.722
  167   1HE   MET  21          1HE       MET  21 -18.863  -9.930  -0.714
  168   2HE   MET  21          2HE       MET  21 -18.008 -11.374  -1.305
  169   3HE   MET  21          3HE       MET  21 -19.782 -11.286  -1.410
  170    H    ALA  22           H        ALA  22 -20.313  -9.062   5.580
  171    HA   ALA  22           HA       ALA  22 -18.564  -6.854   5.821
  172   1HB   ALA  22          2HB       ALA  22 -20.868  -7.985   7.428
  173   2HB   ALA  22          3HB       ALA  22 -19.950  -6.567   7.991
  174   3HB   ALA  22          1HB       ALA  22 -20.817  -6.507   6.438
  175    H    LYS  23           H        LYS  23 -18.918 -10.020   7.480
  176    HA   LYS  23           HA       LYS  23 -17.013  -9.377   9.494
  177   1HB   LYS  23          1HB       LYS  23 -18.980 -11.184   9.346
  178   2HB   LYS  23          2HB       LYS  23 -17.668 -12.205   8.792
  179   1HG   LYS  23          1HG       LYS  23 -17.003 -12.471  10.940
  180   2HG   LYS  23          2HG       LYS  23 -16.619 -10.763  11.013
  181   1HD   LYS  23          1HD       LYS  23 -19.235 -10.481  11.417
  182   2HD   LYS  23          2HD       LYS  23 -19.159 -12.171  11.875
  183   1HE   LYS  23          1HE       LYS  23 -17.057 -10.400  13.072
  184   2HE   LYS  23          2HE       LYS  23 -18.697 -10.115  13.620
  185   1HZ   LYS  23          3HZ       LYS  23 -18.477 -12.799  13.656
  186   2HZ   LYS  23          1HZ       LYS  23 -16.995 -12.321  14.148
  187   3HZ   LYS  23          2HZ       LYS  23 -18.324 -11.820  14.955
  188    H    LEU  24           H        LEU  24 -16.966 -11.325   6.439
  189    HA   LEU  24           HA       LEU  24 -14.313 -12.112   6.633
  190   1HB   LEU  24          1HB       LEU  24 -16.421 -12.504   4.913
  191   2HB   LEU  24          2HB       LEU  24 -15.297 -11.595   3.922
  192    HG   LEU  24           HG       LEU  24 -14.598 -14.143   5.406
  193   1HD1  LEU  24          1HD1      LEU  24 -16.204 -13.880   3.129
  194   2HD1  LEU  24          2HD1      LEU  24 -14.601 -14.356   2.519
  195   3HD1  LEU  24          3HD1      LEU  24 -15.422 -15.357   3.740
  196   1HD2  LEU  24          3HD2      LEU  24 -13.068 -12.560   3.323
  197   2HD2  LEU  24          1HD2      LEU  24 -12.663 -12.719   5.048
  198   3HD2  LEU  24          2HD2      LEU  24 -12.589 -14.143   3.982
  199    H    GLU  25           H        GLU  25 -15.824  -9.107   5.372
  200    HA   GLU  25           HA       GLU  25 -13.444  -8.119   4.284
  201   1HB   GLU  25          1HB       GLU  25 -15.718  -7.336   3.634
  202   2HB   GLU  25          2HB       GLU  25 -15.935  -6.628   5.222
  203   1HG   GLU  25          1HG       GLU  25 -13.643  -5.381   4.646
  204   2HG   GLU  25          2HG       GLU  25 -14.089  -5.751   2.993
  205    H    GLU  26           H        GLU  26 -15.273  -7.085   7.263
  206    HA   GLU  26           HA       GLU  26 -13.320  -5.438   8.224
  207   1HB   GLU  26          1HB       GLU  26 -15.396  -7.099   9.714
  208   2HB   GLU  26          2HB       GLU  26 -14.433  -5.851  10.479
  209   1HG   GLU  26          1HG       GLU  26 -16.035  -5.242   7.970
  210   2HG   GLU  26          2HG       GLU  26 -16.804  -5.220   9.544
  211    H    CYS  27           H        CYS  27 -13.911  -8.939   8.996
  212    HA   CYS  27           HA       CYS  27 -12.022  -9.375  10.844
  213   1HB   CYS  27          1HB       CYS  27 -13.526 -11.122  10.084
  214   2HB   CYS  27          2HB       CYS  27 -12.760 -11.166   8.509
  215    HG   CYS  27           HG       CYS  27 -12.192 -12.882  10.935
  216    H    VAL  28           H        VAL  28 -11.518  -9.618   7.240
  217    HA   VAL  28           HA       VAL  28  -8.835 -10.077   7.232
  218    HB   VAL  28           HB       VAL  28 -10.794  -8.793   5.405
  219   1HG1  VAL  28          2HG1      VAL  28  -8.845  -7.294   5.212
  220   2HG1  VAL  28          3HG1      VAL  28  -7.804  -8.698   4.876
  221   3HG1  VAL  28          1HG1      VAL  28  -9.093  -8.251   3.732
  222   1HG2  VAL  28          2HG2      VAL  28  -9.867 -11.343   5.763
  223   2HG2  VAL  28          3HG2      VAL  28 -10.628 -10.736   4.272
  224   3HG2  VAL  28          1HG2      VAL  28  -8.854 -10.783   4.412
  225    H    ARG  29           H        ARG  29 -10.538  -6.882   7.384
  226    HA   ARG  29           HA       ARG  29  -8.194  -5.405   7.389
  227   1HB   ARG  29          1HB       ARG  29 -10.863  -4.811   7.231
  228   2HB   ARG  29          2HB       ARG  29 -10.566  -4.340   8.893
  229   1HG   ARG  29          1HG       ARG  29  -8.386  -3.345   7.270
  230   2HG   ARG  29          2HG       ARG  29  -9.893  -2.903   6.492
  231   1HD   ARG  29          1HD       ARG  29 -10.517  -2.295   9.094
  232   2HD   ARG  29          2HD       ARG  29  -8.788  -2.018   9.131
  233    HE   ARG  29           HE       ARG  29  -9.817  -0.779   6.775
  234   1HH1  ARG  29          2HH2      ARG  29  -9.972  -0.414  10.273
  235   2HH1  ARG  29          1HH2      ARG  29 -10.249   1.295  10.210
  236   1HH2  ARG  29          2HH1      ARG  29 -10.182   1.476   6.693
  237   2HH2  ARG  29          1HH1      ARG  29 -10.369   2.377   8.160
  238    H    SER  30           H        SER  30  -9.944  -7.190   9.892
  239    HA   SER  30           HA       SER  30  -8.929  -5.812  12.093
  240   1HB   SER  30          1HB       SER  30 -10.052  -7.393  13.350
  241   2HB   SER  30          2HB       SER  30 -10.859  -7.638  11.815
  242    HG   SER  30           HG       SER  30 -10.202  -9.667  12.678
  243    H    ILE  31           H        ILE  31  -7.369  -7.693   9.735
  244    HA   ILE  31           HA       ILE  31  -5.515  -9.051  11.416
  245    HB   ILE  31           HB       ILE  31  -5.405  -8.416   8.465
  246   1HG1  ILE  31          1HG1      ILE  31  -7.452  -9.658   9.189
  247   2HG1  ILE  31          2HG1      ILE  31  -6.432 -10.528   8.060
  248   1HG2  ILE  31          2HG2      ILE  31  -3.585  -9.814  10.290
  249   2HG2  ILE  31          3HG2      ILE  31  -4.059 -10.778   8.871
  250   3HG2  ILE  31          1HG2      ILE  31  -3.312  -9.177   8.651
  251   1HD1  ILE  31          3HD1      ILE  31  -5.317 -11.475  10.307
  252   2HD1  ILE  31          1HD1      ILE  31  -6.906 -11.047  10.987
  253   3HD1  ILE  31          2HD1      ILE  31  -6.799 -12.199   9.635
  254    H    GLN  32           H        GLN  32  -3.646  -8.322  12.314
  255    HA   GLN  32           HA       GLN  32  -2.832  -5.649  11.477
  256   1HB   GLN  32          1HB       GLN  32  -3.583  -6.564  14.038
  257   2HB   GLN  32          2HB       GLN  32  -1.834  -6.473  14.108
  258   1HG   GLN  32          1HG       GLN  32  -2.714  -4.120  12.729
  259   2HG   GLN  32          2HG       GLN  32  -3.769  -4.305  14.117
  260   1HE2  GLN  32          2HE2      GLN  32  -1.063  -2.300  15.423
  261   2HE2  GLN  32          1HE2      GLN  32  -2.470  -2.197  14.418
  262    H    ALA  33           H        ALA  33  -0.504  -5.201  11.420
  263    HA   ALA  33           HA       ALA  33   1.401  -7.203  11.921
  264   1HB   ALA  33          3HB       ALA  33   0.310  -6.968   9.111
  265   2HB   ALA  33          1HB       ALA  33   2.003  -7.442   9.392
  266   3HB   ALA  33          2HB       ALA  33   0.679  -8.432  10.055
  267    H    ASP  34           H        ASP  34   3.544  -6.368  11.666
  268    HA   ASP  34           HA       ASP  34   3.678  -3.613  11.878
  269   1HB   ASP  34          1HB       ASP  34   5.368  -5.761  12.350
  270   2HB   ASP  34          2HB       ASP  34   6.146  -5.013  10.970
  271    H    GLY  35           H        GLY  35   4.695  -2.044  10.367
  272   1HA   GLY  35          1HA       GLY  35   4.987  -1.096   8.352
  273   2HA   GLY  35          2HA       GLY  35   5.670  -2.626   7.837
  274    H    LEU  36           H        LEU  36   2.403  -2.814   9.060
  275    HA   LEU  36           HA       LEU  36   1.469  -3.150   6.305
  276   1HB   LEU  36          1HB       LEU  36   1.373  -5.022   8.036
  277   2HB   LEU  36          2HB       LEU  36   0.110  -4.095   8.821
  278    HG   LEU  36           HG       LEU  36  -0.599  -4.279   6.074
  279   1HD1  LEU  36          3HD1      LEU  36   1.088  -6.215   6.164
  280   2HD1  LEU  36          1HD1      LEU  36  -0.124  -7.047   7.168
  281   3HD1  LEU  36          2HD1      LEU  36  -0.534  -6.545   5.510
  282   1HD2  LEU  36          1HD2      LEU  36  -1.871  -4.320   8.446
  283   2HD2  LEU  36          2HD2      LEU  36  -2.614  -4.853   6.919
  284   3HD2  LEU  36          3HD2      LEU  36  -1.931  -6.053   8.042
  285    H    VAL  37           H        VAL  37  -0.246  -1.955   5.490
  286    HA   VAL  37           HA       VAL  37  -1.541  -0.100   7.337
  287    HB   VAL  37           HB       VAL  37  -0.033   0.620   4.823
  288   1HG1  VAL  37          3HG1      VAL  37  -2.334   1.645   4.876
  289   2HG1  VAL  37          1HG1      VAL  37  -1.868   2.460   6.388
  290   3HG1  VAL  37          2HG1      VAL  37  -0.992   2.816   4.879
  291   1HG2  VAL  37          3HG2      VAL  37   0.279   1.162   7.746
  292   2HG2  VAL  37          1HG2      VAL  37   1.510   0.856   6.498
  293   3HG2  VAL  37          2HG2      VAL  37   0.730   2.451   6.605
  294    H    TRP  38           H        TRP  38  -3.536  -1.104   7.224
  295    HA   TRP  38           HA       TRP  38  -4.560  -2.219   4.857
  296   1HB   TRP  38          1HB       TRP  38  -5.642  -1.527   7.555
  297   2HB   TRP  38          2HB       TRP  38  -6.772  -1.886   6.264
  298    HD1  TRP  38           HD       TRP  38  -5.311  -3.684   8.977
  299    HE1  TRP  38          1HE       TRP  38  -5.031  -6.282   8.609
  300    HE3  TRP  38          3HE       TRP  38  -5.836  -3.555   3.921
  301    HZ2  TRP  38          2HZ       TRP  38  -5.059  -7.954   6.296
  302    HZ3  TRP  38          3HZ       TRP  38  -5.697  -5.715   2.684
  303    HH2  TRP  38           HH       TRP  38  -5.323  -7.862   3.790
  304    H    GLY  39           H        GLY  39  -4.723  -0.904   3.056
  305   1HA   GLY  39          1HA       GLY  39  -5.320   1.868   3.201
  306   2HA   GLY  39          2HA       GLY  39  -5.269   0.862   1.767
  307    H    SER  40           H        SER  40  -7.209  -0.792   1.595
  308    HA   SER  40           HA       SER  40  -9.550  -0.395   2.915
  309   1HB   SER  40          1HB       SER  40  -9.073   1.908   1.471
  310   2HB   SER  40          2HB       SER  40 -10.028   0.989   0.324
  311    HG   SER  40           HG       SER  40 -11.467   2.182   1.610
  312    H    SER  41           H        SER  41 -11.258  -1.744   2.009
  313    HA   SER  41           HA       SER  41 -10.206  -3.486  -0.053
  314   1HB   SER  41          1HB       SER  41 -12.030  -5.043   0.699
  315   2HB   SER  41          2HB       SER  41 -10.903  -4.625   1.974
  316    HG   SER  41           HG       SER  41 -12.452  -3.596   3.067
  317    H    LYS  42           H        LYS  42 -11.766  -4.288  -1.764
  318    HA   LYS  42           HA       LYS  42 -13.804  -2.255  -2.351
  319   1HB   LYS  42          1HB       LYS  42 -12.154  -3.615  -4.483
  320   2HB   LYS  42          2HB       LYS  42 -13.182  -2.204  -4.630
  321   1HG   LYS  42          1HG       LYS  42 -11.239  -1.652  -2.570
  322   2HG   LYS  42          2HG       LYS  42 -10.378  -2.313  -3.947
  323   1HD   LYS  42          1HD       LYS  42 -12.389  -0.021  -4.137
  324   2HD   LYS  42          2HD       LYS  42 -10.657   0.208  -4.006
  325   1HE   LYS  42          1HE       LYS  42 -11.124  -1.702  -6.117
  326   2HE   LYS  42          2HE       LYS  42 -12.215  -0.355  -6.374
  327   1HZ   LYS  42          2HZ       LYS  42 -10.104   1.014  -5.879
  328   2HZ   LYS  42          3HZ       LYS  42  -9.310  -0.350  -6.299
  329   3HZ   LYS  42          1HZ       LYS  42 -10.319   0.370  -7.363
  330    H    LEU  43           H        LEU  43 -15.562  -3.084  -3.811
  331    HA   LEU  43           HA       LEU  43 -15.941  -5.964  -3.360
  332   1HB   LEU  43          1HB       LEU  43 -17.646  -3.643  -2.737
  333   2HB   LEU  43          2HB       LEU  43 -18.468  -4.963  -3.546
  334    HG   LEU  43           HG       LEU  43 -18.754  -5.282  -1.214
  335   1HD1  LEU  43          2HD1      LEU  43 -17.451  -7.185  -2.831
  336   2HD1  LEU  43          3HD1      LEU  43 -16.691  -7.291  -1.226
  337   3HD1  LEU  43          1HD1      LEU  43 -18.454  -7.472  -1.389
  338   1HD2  LEU  43          1HD2      LEU  43 -16.462  -3.883  -0.854
  339   2HD2  LEU  43          2HD2      LEU  43 -17.273  -4.827   0.418
  340   3HD2  LEU  43          3HD2      LEU  43 -15.904  -5.530  -0.476
  341    H    VAL  44           H        VAL  44 -17.236  -7.077  -5.015
  342    HA   VAL  44           HA       VAL  44 -17.697  -5.651  -7.472
  343    HB   VAL  44           HB       VAL  44 -15.602  -7.824  -7.274
  344   1HG1  VAL  44          1HG1      VAL  44 -17.242  -7.822  -9.300
  345   2HG1  VAL  44          2HG1      VAL  44 -16.335  -6.380  -9.816
  346   3HG1  VAL  44          3HG1      VAL  44 -15.491  -7.932  -9.598
  347   1HG2  VAL  44          2HG2      VAL  44 -15.449  -4.873  -7.954
  348   2HG2  VAL  44          3HG2      VAL  44 -14.647  -5.734  -6.618
  349   3HG2  VAL  44          1HG2      VAL  44 -14.143  -6.031  -8.299
  350    HA   PRO  45           HA       PRO  45 -20.721  -8.818  -6.849
  351   1HB   PRO  45          1HB       PRO  45 -22.772  -7.534  -8.121
  352   2HB   PRO  45          2HB       PRO  45 -22.432  -7.342  -6.412
  353   1HG   PRO  45          1HG       PRO  45 -21.890  -5.466  -8.631
  354   2HG   PRO  45          2HG       PRO  45 -21.958  -5.141  -6.910
  355   1HD   PRO  45          1HD       PRO  45 -19.595  -5.389  -8.519
  356   2HD   PRO  45          2HD       PRO  45 -19.663  -5.179  -6.780
  357    H    VAL  46           H        VAL  46 -21.231 -10.622  -7.987
  358    HA   VAL  46           HA       VAL  46 -20.201 -10.585 -10.683
  359    HB   VAL  46           HB       VAL  46 -21.211 -12.690  -8.783
  360   1HG1  VAL  46          2HG1      VAL  46 -21.301 -12.800 -11.666
  361   2HG1  VAL  46          3HG1      VAL  46 -20.115 -13.976 -11.050
  362   3HG1  VAL  46          1HG1      VAL  46 -21.799 -14.023 -10.472
  363   1HG2  VAL  46          3HG2      VAL  46 -18.864 -11.708  -8.632
  364   2HG2  VAL  46          1HG2      VAL  46 -18.973 -13.479  -8.777
  365   3HG2  VAL  46          2HG2      VAL  46 -18.539 -12.496 -10.196
  366    H    GLY  47           H        GLY  47 -23.135 -12.331  -9.555
  367   1HA   GLY  47          1HA       GLY  47 -24.807 -10.695 -11.320
  368   2HA   GLY  47          2HA       GLY  47 -24.649 -12.401 -11.688
  369    H    TYR  48           H        TYR  48 -24.542 -13.569  -9.117
  370    HA   TYR  48           HA       TYR  48 -27.308 -13.411  -8.407
  371   1HB   TYR  48          1HB       TYR  48 -25.155 -15.235  -8.337
  372   2HB   TYR  48          2HB       TYR  48 -25.300 -14.785  -6.649
  373    HD1  TYR  48          2HD       TYR  48 -27.410 -15.948  -9.523
  374    HD2  TYR  48          1HD       TYR  48 -26.804 -15.937  -5.287
  375    HE1  TYR  48          2HE       TYR  48 -29.318 -17.604  -9.239
  376    HE2  TYR  48          1HE       TYR  48 -28.715 -17.591  -5.018
  377    HH   TYR  48           HH       TYR  48 -30.896 -18.088  -6.556
  378    H    GLY  49           H        GLY  49 -26.968 -13.986  -5.557
  379   1HA   GLY  49          1HA       GLY  49 -26.827 -11.241  -4.623
  380   2HA   GLY  49          2HA       GLY  49 -27.370 -12.651  -3.737
  381    H    ILE  50           H        ILE  50 -24.390 -13.173  -5.439
  382    HA   ILE  50           HA       ILE  50 -22.963 -12.934  -2.892
  383    HB   ILE  50           HB       ILE  50 -22.606 -14.669  -5.320
  384   1HG1  ILE  50          1HG1      ILE  50 -22.399 -16.317  -3.229
  385   2HG1  ILE  50          2HG1      ILE  50 -23.329 -15.056  -2.446
  386   1HG2  ILE  50          1HG2      ILE  50 -20.582 -14.176  -3.120
  387   2HG2  ILE  50          2HG2      ILE  50 -20.509 -15.504  -4.303
  388   3HG2  ILE  50          3HG2      ILE  50 -20.396 -13.814  -4.852
  389   1HD1  ILE  50          1HD1      ILE  50 -24.100 -16.375  -5.090
  390   2HD1  ILE  50          2HD1      ILE  50 -24.779 -16.803  -3.501
  391   3HD1  ILE  50          3HD1      ILE  50 -25.067 -15.185  -4.186
  392    H    LYS  51           H        LYS  51 -20.675 -12.163  -2.999
  393    HA   LYS  51           HA       LYS  51 -20.183 -10.418  -5.286
  394   1HB   LYS  51          1HB       LYS  51 -20.309  -9.534  -2.394
  395   2HB   LYS  51          2HB       LYS  51 -19.473  -8.620  -3.632
  396   1HG   LYS  51          1HG       LYS  51 -21.429  -7.955  -4.669
  397   2HG   LYS  51          2HG       LYS  51 -22.245  -9.473  -4.349
  398   1HD   LYS  51          1HD       LYS  51 -23.314  -8.531  -2.589
  399   2HD   LYS  51          2HD       LYS  51 -21.774  -8.254  -1.799
  400   1HE   LYS  51          1HE       LYS  51 -21.556  -6.128  -3.254
  401   2HE   LYS  51          2HE       LYS  51 -23.232  -6.373  -3.707
  402   1HZ   LYS  51          3HZ       LYS  51 -22.721  -6.505  -0.890
  403   2HZ   LYS  51          1HZ       LYS  51 -22.456  -5.039  -1.557
  404   3HZ   LYS  51          2HZ       LYS  51 -23.921  -5.746  -1.698
  405    H    LYS  52           H        LYS  52 -17.831  -9.521  -5.112
  406    HA   LYS  52           HA       LYS  52 -16.180 -11.822  -4.507
  407   1HB   LYS  52          1HB       LYS  52 -16.202  -9.811  -6.500
  408   2HB   LYS  52          2HB       LYS  52 -14.741  -9.557  -5.567
  409   1HG   LYS  52          1HG       LYS  52 -14.224 -12.033  -5.807
  410   2HG   LYS  52          2HG       LYS  52 -15.619 -12.182  -6.858
  411   1HD   LYS  52          1HD       LYS  52 -14.111  -9.960  -7.846
  412   2HD   LYS  52          2HD       LYS  52 -12.948 -11.225  -7.502
  413   1HE   LYS  52          1HE       LYS  52 -14.360 -12.843  -8.832
  414   2HE   LYS  52          2HE       LYS  52 -15.453 -11.531  -9.226
  415   1HZ   LYS  52          2HZ       LYS  52 -12.669 -11.035  -9.757
  416   2HZ   LYS  52          3HZ       LYS  52 -13.374 -12.169 -10.698
  417   3HZ   LYS  52          1HZ       LYS  52 -13.984 -10.654 -10.647
  418    H    LEU  53           H        LEU  53 -14.439 -11.829  -3.035
  419    HA   LEU  53           HA       LEU  53 -14.663  -9.721  -1.020
  420   1HB   LEU  53          1HB       LEU  53 -14.619 -12.507  -0.861
  421   2HB   LEU  53          2HB       LEU  53 -13.027 -12.012  -0.319
  422    HG   LEU  53           HG       LEU  53 -14.783 -12.294   1.473
  423   1HD1  LEU  53          1HD1      LEU  53 -12.706 -11.084   1.879
  424   2HD1  LEU  53          2HD1      LEU  53 -13.438  -9.586   1.257
  425   3HD1  LEU  53          3HD1      LEU  53 -14.062 -10.327   2.750
  426   1HD2  LEU  53          1HD2      LEU  53 -16.430 -10.896  -0.143
  427   2HD2  LEU  53          2HD2      LEU  53 -16.648 -11.033   1.618
  428   3HD2  LEU  53          3HD2      LEU  53 -15.864  -9.592   0.927
  429    H    GLN  54           H        GLN  54 -13.485  -8.227  -2.498
  430    HA   GLN  54           HA       GLN  54 -10.689  -8.933  -2.781
  431   1HB   GLN  54          1HB       GLN  54 -11.576  -8.114  -4.827
  432   2HB   GLN  54          2HB       GLN  54 -12.476  -6.834  -4.039
  433   1HG   GLN  54          1HG       GLN  54 -10.650  -5.428  -3.915
  434   2HG   GLN  54          2HG       GLN  54  -9.527  -6.735  -3.601
  435   1HE2  GLN  54          2HE2      GLN  54  -9.091  -7.647  -7.063
  436   2HE2  GLN  54          1HE2      GLN  54  -9.318  -8.332  -5.489
  437    H    ILE  55           H        ILE  55  -8.992  -7.665  -1.871
  438    HA   ILE  55           HA       ILE  55  -9.744  -5.393  -0.243
  439    HB   ILE  55           HB       ILE  55  -9.485  -6.281   1.767
  440   1HG1  ILE  55          1HG1      ILE  55  -7.031  -6.441   1.398
  441   2HG1  ILE  55          2HG1      ILE  55  -7.664  -7.659   2.487
  442   1HG2  ILE  55          2HG2      ILE  55 -11.024  -7.882   0.770
  443   2HG2  ILE  55          3HG2      ILE  55  -9.659  -8.897   0.247
  444   3HG2  ILE  55          1HG2      ILE  55  -9.988  -8.675   1.982
  445   1HD1  ILE  55          2HD1      ILE  55  -7.609  -8.435  -0.398
  446   2HD1  ILE  55          3HD1      ILE  55  -6.023  -8.232   0.385
  447   3HD1  ILE  55          1HD1      ILE  55  -7.202  -9.392   1.046
  448    H    GLN  56           H        GLN  56  -7.890  -4.066   0.332
  449    HA   GLN  56           HA       GLN  56  -5.478  -4.848  -1.094
  450   1HB   GLN  56          1HB       GLN  56  -6.687  -3.268  -2.539
  451   2HB   GLN  56          2HB       GLN  56  -6.850  -2.128  -1.219
  452   1HG   GLN  56          1HG       GLN  56  -4.089  -2.637  -1.290
  453   2HG   GLN  56          2HG       GLN  56  -4.537  -2.633  -2.983
  454   1HE2  GLN  56          2HE2      GLN  56  -3.675   0.820  -1.684
  455   2HE2  GLN  56          1HE2      GLN  56  -2.923  -0.735  -1.560
  456    H    CYS  57           H        CYS  57  -3.523  -4.264  -0.072
  457    HA   CYS  57           HA       CYS  57  -3.839  -2.762   2.420
  458   1HB   CYS  57          1HB       CYS  57  -3.518  -5.422   2.513
  459   2HB   CYS  57          2HB       CYS  57  -1.832  -4.976   2.341
  460    HG   CYS  57           HG       CYS  57  -2.769  -2.817   4.211
  461    H    VAL  58           H        VAL  58  -1.133  -2.649   3.148
  462    HA   VAL  58           HA       VAL  58   0.425  -1.959   0.826
  463    HB   VAL  58           HB       VAL  58  -0.392   0.153   2.832
  464   1HG1  VAL  58          1HG1      VAL  58   1.806  -0.037   0.879
  465   2HG1  VAL  58          2HG1      VAL  58   0.835   1.449   0.745
  466   3HG1  VAL  58          3HG1      VAL  58   1.611   1.028   2.292
  467   1HG2  VAL  58          1HG2      VAL  58  -1.146  -0.256  -0.078
  468   2HG2  VAL  58          2HG2      VAL  58  -2.227  -0.225   1.335
  469   3HG2  VAL  58          3HG2      VAL  58  -1.404   1.264   0.812
  470    H    VAL  59           H        VAL  59   1.454  -3.892   1.897
  471    HA   VAL  59           HA       VAL  59   2.776  -3.253   4.406
  472    HB   VAL  59           HB       VAL  59   3.076  -5.500   4.673
  473   1HG1  VAL  59          2HG1      VAL  59   0.623  -4.877   4.349
  474   2HG1  VAL  59          3HG1      VAL  59   0.748  -5.634   2.743
  475   3HG1  VAL  59          1HG1      VAL  59   1.031  -6.605   4.208
  476   1HG2  VAL  59          1HG2      VAL  59   3.451  -5.528   1.724
  477   2HG2  VAL  59          2HG2      VAL  59   4.364  -6.355   3.008
  478   3HG2  VAL  59          3HG2      VAL  59   2.805  -7.015   2.457
  479    H    GLU  60           H        GLU  60   5.199  -4.183   4.433
  480    HA   GLU  60           HA       GLU  60   6.531  -2.572   2.490
  481   1HB   GLU  60          1HB       GLU  60   7.151  -3.785   5.103
  482   2HB   GLU  60          2HB       GLU  60   8.490  -3.910   3.980
  483   1HG   GLU  60          1HG       GLU  60   8.978  -1.775   4.635
  484   2HG   GLU  60          2HG       GLU  60   7.700  -1.307   3.533
  485    H    ASP  61           H        ASP  61   8.744  -3.608   1.596
  486    HA   ASP  61           HA       ASP  61   7.855  -5.846   0.057
  487   1HB   ASP  61          1HB       ASP  61   9.695  -5.381  -1.362
  488   2HB   ASP  61          2HB       ASP  61   9.211  -3.799  -0.781
  489    H    ASP  62           H        ASP  62   8.881  -5.677   3.122
  490    HA   ASP  62           HA       ASP  62  10.229  -8.206   2.946
  491   1HB   ASP  62          1HB       ASP  62  11.809  -5.963   3.127
  492   2HB   ASP  62          2HB       ASP  62  11.513  -6.264   4.828
  493    H    LYS  63           H        LYS  63   7.613  -6.969   3.891
  494    HA   LYS  63           HA       LYS  63   7.866  -7.554   6.759
  495   1HB   LYS  63          1HB       LYS  63   6.369  -5.480   5.248
  496   2HB   LYS  63          2HB       LYS  63   5.510  -6.229   6.577
  497   1HG   LYS  63          1HG       LYS  63   6.734  -4.266   7.402
  498   2HG   LYS  63          2HG       LYS  63   7.418  -5.716   8.109
  499   1HD   LYS  63          1HD       LYS  63   8.806  -5.283   5.639
  500   2HD   LYS  63          2HD       LYS  63   8.716  -3.726   6.439
  501   1HE   LYS  63          1HE       LYS  63   9.528  -4.944   8.582
  502   2HE   LYS  63          2HE       LYS  63   9.890  -6.312   7.547
  503   1HZ   LYS  63          1HZ       LYS  63  10.893  -3.663   6.850
  504   2HZ   LYS  63          2HZ       LYS  63  11.676  -4.565   7.963
  505   3HZ   LYS  63          3HZ       LYS  63  11.492  -5.126   6.440
  506    H    VAL  64           H        VAL  64   4.875  -7.331   4.810
  507    HA   VAL  64           HA       VAL  64   4.464 -10.182   5.382
  508    HB   VAL  64           HB       VAL  64   2.401  -8.033   4.870
  509   1HG1  VAL  64          1HG1      VAL  64   2.068 -10.696   4.604
  510   2HG1  VAL  64          2HG1      VAL  64   1.757 -10.532   6.349
  511   3HG1  VAL  64          3HG1      VAL  64   0.788  -9.603   5.180
  512   1HG2  VAL  64          2HG2      VAL  64   3.411  -9.148   7.508
  513   2HG2  VAL  64          3HG2      VAL  64   3.597  -7.482   6.912
  514   3HG2  VAL  64          1HG2      VAL  64   1.980  -8.107   7.316
  515    H    GLY  65           H        GLY  65   3.582 -11.531   3.717
  516   1HA   GLY  65          1HA       GLY  65   4.018 -10.424   1.011
  517   2HA   GLY  65          2HA       GLY  65   4.288 -12.090   1.484
  518    H    THR  66           H        THR  66   2.401 -13.451   2.078
  519    HA   THR  66           HA       THR  66  -0.237 -12.522   1.765
  520    HB   THR  66           HB       THR  66   1.224 -13.563  -0.671
  521    HG1  THR  66          1HG       THR  66  -0.514 -11.959  -1.451
  522   1HG2  THR  66          2HG2      THR  66  -1.618 -14.214   0.161
  523   2HG2  THR  66          3HG2      THR  66  -1.287 -13.819  -1.542
  524   3HG2  THR  66          1HG2      THR  66  -0.474 -15.204  -0.775
  525    H    ASP  67           H        ASP  67   2.099 -15.239   1.549
  526    HA   ASP  67           HA       ASP  67   0.500 -17.335   1.897
  527   1HB   ASP  67          1HB       ASP  67   2.397 -18.245   3.431
  528   2HB   ASP  67          2HB       ASP  67   2.818 -17.781   1.795
  529    H    MET  68           H        MET  68   1.950 -15.325   4.579
  530    HA   MET  68           HA       MET  68   0.646 -16.580   6.640
  531   1HB   MET  68          1HB       MET  68   2.524 -14.634   6.445
  532   2HB   MET  68          2HB       MET  68   1.145 -13.590   6.724
  533   1HG   MET  68          1HG       MET  68   2.054 -15.881   8.534
  534   2HG   MET  68          2HG       MET  68   2.232 -14.170   8.871
  535   1HE   MET  68          2HE       MET  68   0.420 -12.574   8.672
  536   2HE   MET  68          3HE       MET  68  -1.058 -13.116   7.840
  537   3HE   MET  68          1HE       MET  68  -1.088 -12.796   9.592
  538    H    LEU  69           H        LEU  69  -0.235 -13.410   5.074
  539    HA   LEU  69           HA       LEU  69  -2.581 -12.992   6.418
  540   1HB   LEU  69          1HB       LEU  69  -1.695 -12.264   3.635
  541   2HB   LEU  69          2HB       LEU  69  -3.231 -11.736   4.292
  542    HG   LEU  69           HG       LEU  69  -0.514 -11.117   5.485
  543   1HD1  LEU  69          2HD1      LEU  69  -2.379  -9.461   3.773
  544   2HD1  LEU  69          3HD1      LEU  69  -1.051  -8.774   4.739
  545   3HD1  LEU  69          1HD1      LEU  69  -0.696  -9.929   3.433
  546   1HD2  LEU  69          2HD2      LEU  69  -3.309 -10.609   6.397
  547   2HD2  LEU  69          3HD2      LEU  69  -1.839 -10.969   7.334
  548   3HD2  LEU  69          1HD2      LEU  69  -2.091  -9.339   6.664
  549    H    GLU  70           H        GLU  70  -1.849 -15.259   3.780
  550    HA   GLU  70           HA       GLU  70  -4.555 -15.753   3.170
  551   1HB   GLU  70          1HB       GLU  70  -2.834 -16.195   1.510
  552   2HB   GLU  70          2HB       GLU  70  -1.988 -17.287   2.589
  553   1HG   GLU  70          1HG       GLU  70  -4.254 -18.638   2.617
  554   2HG   GLU  70          2HG       GLU  70  -4.643 -17.715   1.179
  555    H    GLU  71           H        GLU  71  -2.018 -17.679   4.935
  556    HA   GLU  71           HA       GLU  71  -3.706 -19.697   5.712
  557   1HB   GLU  71          1HB       GLU  71  -1.044 -18.661   6.538
  558   2HB   GLU  71          2HB       GLU  71  -1.872 -19.591   7.771
  559   1HG   GLU  71          1HG       GLU  71  -2.007 -20.801   5.056
  560   2HG   GLU  71          2HG       GLU  71  -0.380 -20.672   5.696
  561    H    GLN  72           H        GLN  72  -3.642 -16.388   6.695
  562    HA   GLN  72           HA       GLN  72  -4.938 -17.030   9.209
  563   1HB   GLN  72          1HB       GLN  72  -3.104 -15.393   9.310
  564   2HB   GLN  72          2HB       GLN  72  -3.881 -14.395   8.097
  565   1HG   GLN  72          1HG       GLN  72  -5.146 -13.372   9.676
  566   2HG   GLN  72          2HG       GLN  72  -5.792 -14.911  10.211
  567   1HE2  GLN  72          2HE2      GLN  72  -4.307 -13.772  13.252
  568   2HE2  GLN  72          1HE2      GLN  72  -5.730 -13.674  12.267
  569    H    ILE  73           H        ILE  73  -5.405 -15.268   6.097
  570    HA   ILE  73           HA       ILE  73  -8.054 -14.457   6.785
  571    HB   ILE  73           HB       ILE  73  -6.450 -14.416   4.233
  572   1HG1  ILE  73          1HG1      ILE  73  -7.372 -12.069   5.893
  573   2HG1  ILE  73          2HG1      ILE  73  -5.884 -12.920   6.258
  574   1HG2  ILE  73          1HG2      ILE  73  -9.331 -13.924   4.687
  575   2HG2  ILE  73          2HG2      ILE  73  -8.466 -12.671   3.764
  576   3HG2  ILE  73          3HG2      ILE  73  -8.452 -14.361   3.203
  577   1HD1  ILE  73          2HD1      ILE  73  -5.211 -12.572   3.802
  578   2HD1  ILE  73          3HD1      ILE  73  -6.603 -11.468   3.680
  579   3HD1  ILE  73          1HD1      ILE  73  -5.274 -11.103   4.807
  580    H    THR  74           H        THR  74  -6.704 -16.787   4.338
  581    HA   THR  74           HA       THR  74  -9.245 -17.936   3.835
  582    HB   THR  74           HB       THR  74  -7.979 -19.362   2.368
  583    HG1  THR  74          1HG       THR  74  -5.941 -18.689   4.352
  584   1HG2  THR  74          2HG2      THR  74  -7.582 -16.717   2.104
  585   2HG2  THR  74          3HG2      THR  74  -5.932 -17.148   2.612
  586   3HG2  THR  74          1HG2      THR  74  -6.629 -17.875   1.144
  587    H    ALA  75           H        ALA  75  -7.120 -18.171   6.511
  588    HA   ALA  75           HA       ALA  75  -7.177 -20.773   7.259
  589   1HB   ALA  75          3HB       ALA  75  -6.593 -18.297   8.417
  590   2HB   ALA  75          1HB       ALA  75  -7.846 -18.985   9.479
  591   3HB   ALA  75          2HB       ALA  75  -6.349 -19.895   9.162
  592    H    PHE  76           H        PHE  76  -9.881 -18.530   6.947
  593    HA   PHE  76           HA       PHE  76 -11.626 -20.246   8.491
  594   1HB   PHE  76          1HB       PHE  76 -11.527 -17.512   7.306
  595   2HB   PHE  76          2HB       PHE  76 -13.090 -18.269   7.071
  596    HD1  PHE  76          1HD       PHE  76 -13.786 -19.635   9.406
  597    HD2  PHE  76          2HD       PHE  76 -11.488 -16.081   9.098
  598    HE1  PHE  76          1HE       PHE  76 -14.444 -19.007  11.746
  599    HE2  PHE  76          2HE       PHE  76 -12.144 -15.453  11.439
  600    HZ   PHE  76           HZ       PHE  76 -13.615 -16.924  12.734
  601    H    GLU  77           H        GLU  77 -11.357 -22.179   7.096
  602    HA   GLU  77           HA       GLU  77 -12.127 -22.026   4.396
  603   1HB   GLU  77          1HB       GLU  77 -11.072 -24.002   6.220
  604   2HB   GLU  77          2HB       GLU  77 -12.452 -24.699   5.394
  605   1HG   GLU  77          1HG       GLU  77 -11.411 -23.802   3.198
  606   2HG   GLU  77          2HG       GLU  77  -9.963 -23.477   4.130
  607    H    ASP  78           H        ASP  78 -13.920 -21.655   7.209
  608    HA   ASP  78           HA       ASP  78 -16.213 -23.093   6.218
  609   1HB   ASP  78          1HB       ASP  78 -15.366 -22.814   8.729
  610   2HB   ASP  78          2HB       ASP  78 -16.217 -21.285   8.648
  611    H    TYR  79           H        TYR  79 -14.784 -20.370   5.263
  612    HA   TYR  79           HA       TYR  79 -17.308 -19.003   4.765
  613   1HB   TYR  79          1HB       TYR  79 -14.722 -17.838   5.977
  614   2HB   TYR  79          2HB       TYR  79 -16.047 -16.841   5.410
  615    HD1  TYR  79          2HD       TYR  79 -15.176 -19.474   7.904
  616    HD2  TYR  79          1HD       TYR  79 -17.876 -16.336   6.821
  617    HE1  TYR  79          2HE       TYR  79 -16.274 -19.620  10.192
  618    HE2  TYR  79          1HE       TYR  79 -18.964 -16.493   9.114
  619    HH   TYR  79           HH       TYR  79 -19.230 -18.000  10.879
  620    H    VAL  80           H        VAL  80 -13.735 -19.192   4.240
  621    HA   VAL  80           HA       VAL  80 -14.007 -17.840   1.704
  622    HB   VAL  80           HB       VAL  80 -11.706 -19.020   3.256
  623   1HG1  VAL  80          1HG1      VAL  80 -11.819 -18.050   0.422
  624   2HG1  VAL  80          2HG1      VAL  80 -10.378 -17.680   1.398
  625   3HG1  VAL  80          3HG1      VAL  80 -10.869 -19.372   1.141
  626   1HG2  VAL  80          2HG2      VAL  80 -12.833 -16.287   2.817
  627   2HG2  VAL  80          3HG2      VAL  80 -12.118 -17.013   4.277
  628   3HG2  VAL  80          1HG2      VAL  80 -11.066 -16.447   2.957
  629    H    GLN  81           H        GLN  81 -14.348 -18.818  -0.229
  630    HA   GLN  81           HA       GLN  81 -14.550 -21.674  -0.202
  631   1HB   GLN  81          1HB       GLN  81 -16.215 -20.071  -1.317
  632   2HB   GLN  81          2HB       GLN  81 -15.004 -19.788  -2.550
  633   1HG   GLN  81          1HG       GLN  81 -15.105 -22.602  -2.319
  634   2HG   GLN  81          2HG       GLN  81 -16.779 -22.102  -2.185
  635   1HE2  GLN  81          2HE2      GLN  81 -16.473 -22.536  -5.731
  636   2HE2  GLN  81          1HE2      GLN  81 -16.714 -23.397  -4.247
  637    H    SER  82           H        SER  82 -12.497 -19.100  -1.628
  638    HA   SER  82           HA       SER  82 -10.307 -20.745  -1.816
  639   1HB   SER  82          1HB       SER  82 -10.085 -21.139  -4.219
  640   2HB   SER  82          2HB       SER  82 -11.571 -21.870  -3.645
  641    HG   SER  82           HG       SER  82 -12.689 -20.614  -4.965
  642    H    MET  83           H        MET  83  -8.550 -19.358  -1.865
  643    HA   MET  83           HA       MET  83  -9.145 -16.639  -2.712
  644   1HB   MET  83          1HB       MET  83  -8.393 -16.718  -0.413
  645   2HB   MET  83          2HB       MET  83  -7.148 -17.897  -0.775
  646   1HG   MET  83          1HG       MET  83  -5.980 -16.140  -2.199
  647   2HG   MET  83          2HG       MET  83  -7.176 -14.974  -1.669
  648   1HE   MET  83          3HE       MET  83  -4.144 -15.307  -1.647
  649   2HE   MET  83          1HE       MET  83  -3.562 -14.622  -0.110
  650   3HE   MET  83          2HE       MET  83  -3.520 -16.382  -0.373
  651    H    ASP  84           H        ASP  84  -7.470 -15.421  -3.912
  652    HA   ASP  84           HA       ASP  84  -5.450 -17.074  -5.135
  653   1HB   ASP  84          1HB       ASP  84  -7.739 -15.715  -6.575
  654   2HB   ASP  84          2HB       ASP  84  -6.186 -15.828  -7.380
  655    H    VAL  85           H        VAL  85  -4.388 -15.290  -6.970
  656    HA   VAL  85           HA       VAL  85  -3.841 -12.936  -5.308
  657    HB   VAL  85           HB       VAL  85  -2.231 -14.407  -7.395
  658   1HG1  VAL  85          1HG1      VAL  85  -1.762 -11.699  -6.134
  659   2HG1  VAL  85          2HG1      VAL  85  -0.428 -12.692  -6.770
  660   3HG1  VAL  85          3HG1      VAL  85  -1.731 -12.149  -7.856
  661   1HG2  VAL  85          3HG2      VAL  85  -2.476 -14.959  -4.754
  662   2HG2  VAL  85          1HG2      VAL  85  -0.996 -15.261  -5.697
  663   3HG2  VAL  85          2HG2      VAL  85  -1.137 -13.787  -4.707
  664    H    ALA  86           H        ALA  86  -4.568 -10.982  -5.979
  665    HA   ALA  86           HA       ALA  86  -5.885 -10.858  -8.546
  666   1HB   ALA  86          2HB       ALA  86  -6.144  -9.630  -5.979
  667   2HB   ALA  86          3HB       ALA  86  -5.803  -8.341  -7.158
  668   3HB   ALA  86          1HB       ALA  86  -7.189  -9.431  -7.405
  669    H    ALA  87           H        ALA  87  -2.829  -9.965  -7.034
  670    HA   ALA  87           HA       ALA  87  -1.430  -9.555  -9.288
  671   1HB   ALA  87          2HB       ALA  87  -3.292  -7.349  -8.869
  672   2HB   ALA  87          3HB       ALA  87  -1.605  -6.782  -8.867
  673   3HB   ALA  87          1HB       ALA  87  -2.237  -7.693 -10.260
  674    H    PHE  88           H        PHE  88   0.691  -8.429  -8.867
  675    HA   PHE  88           HA       PHE  88   1.142  -7.868  -6.047
  676   1HB   PHE  88          1HB       PHE  88   1.914 -10.267  -7.582
  677   2HB   PHE  88          2HB       PHE  88   3.351  -9.419  -7.047
  678    HD1  PHE  88          2HD       PHE  88   0.087 -10.643  -5.712
  679    HD2  PHE  88          1HD       PHE  88   4.191  -9.880  -4.944
  680    HE1  PHE  88          2HE       PHE  88  -0.144 -11.685  -3.440
  681    HE2  PHE  88          1HE       PHE  88   3.959 -10.923  -2.672
  682    HZ   PHE  88           HZ       PHE  88   1.794 -11.812  -1.947
  683    H    ASN  89           H        ASN  89   1.399  -5.657  -6.784
  684    HA   ASN  89           HA       ASN  89   3.940  -5.315  -8.166
  685   1HB   ASN  89          1HB       ASN  89   1.348  -3.725  -8.504
  686   2HB   ASN  89          2HB       ASN  89   2.893  -3.132  -9.078
  687   1HD2  ASN  89          2HD2      ASN  89   3.288  -5.503 -11.702
  688   2HD2  ASN  89          1HD2      ASN  89   4.131  -4.543 -10.532
  689    H    LYS  90           H        LYS  90   4.755  -2.897  -7.726
  690    HA   LYS  90           HA       LYS  90   4.601  -2.517  -4.873
  691   1HB   LYS  90          1HB       LYS  90   6.285  -0.627  -5.550
  692   2HB   LYS  90          2HB       LYS  90   6.779  -2.308  -5.563
  693   1HG   LYS  90          1HG       LYS  90   5.558  -1.219  -8.090
  694   2HG   LYS  90          2HG       LYS  90   7.171  -0.666  -7.679
  695   1HD   LYS  90          1HD       LYS  90   8.107  -2.827  -7.839
  696   2HD   LYS  90          2HD       LYS  90   6.578  -3.629  -7.539
  697   1HE   LYS  90          1HE       LYS  90   5.799  -3.272  -9.754
  698   2HE   LYS  90          2HE       LYS  90   6.905  -1.942 -10.037
  699   1HZ   LYS  90          3HZ       LYS  90   7.803  -4.707  -9.621
  700   2HZ   LYS  90          1HZ       LYS  90   7.532  -4.062 -11.096
  701   3HZ   LYS  90          2HZ       LYS  90   8.702  -3.445 -10.139
  702    H    ILE  91           H        ILE  91   3.652  -0.883  -3.810
  703    HA   ILE  91           HA       ILE  91   1.658   0.671  -5.307
  704    HB   ILE  91           HB       ILE  91   1.034  -0.491  -3.219
  705   1HG1  ILE  91          1HG1      ILE  91   0.755   2.130  -2.085
  706   2HG1  ILE  91          2HG1      ILE  91   0.639   2.282  -3.856
  707   1HG2  ILE  91          3HG2      ILE  91   3.549   0.450  -2.351
  708   2HG2  ILE  91          1HG2      ILE  91   2.355   1.352  -1.386
  709   3HG2  ILE  91          2HG2      ILE  91   2.342  -0.428  -1.380
  710   1HD1  ILE  91          3HD1      ILE  91  -0.929   0.179  -3.664
  711   2HD1  ILE  91          1HD1      ILE  91  -1.080   0.673  -1.961
  712   3HD1  ILE  91          2HD1      ILE  91  -1.575   1.788  -3.258
   
  No H/Q in entry =         712
  Start of MODEL   17
    1   1H    MET   1          2HN       MET   1   9.739   3.073   9.198
    2   2H    MET   1          3HN       MET   1  10.863   2.185   8.367
    3   3H    MET   1           H        MET   1  11.286   2.946   9.775
    4    HA   MET   1           HA       MET   1  11.008   5.064   8.833
    5   1HB   MET   1          1HB       MET   1  12.922   3.071   7.997
    6   2HB   MET   1          2HB       MET   1  12.593   4.181   6.644
    7   1HG   MET   1          1HG       MET   1  13.350   6.036   7.794
    8   2HG   MET   1          2HG       MET   1  12.966   5.346   9.380
    9   1HE   MET   1          1HE       MET   1  15.168   6.951   7.869
   10   2HE   MET   1          2HE       MET   1  16.706   6.481   8.634
   11   3HE   MET   1          3HE       MET   1  16.334   5.945   6.977
   12    H    LEU   2           H        LEU   2   8.896   2.877   7.638
   13    HA   LEU   2           HA       LEU   2   7.537   2.756   5.887
   14   1HB   LEU   2          1HB       LEU   2   6.803   4.803   7.046
   15   2HB   LEU   2          2HB       LEU   2   7.822   5.762   5.990
   16    HG   LEU   2           HG       LEU   2   6.128   4.129   4.354
   17   1HD1  LEU   2          2HD1      LEU   2   4.662   3.964   6.319
   18   2HD1  LEU   2          3HD1      LEU   2   4.614   5.740   6.426
   19   3HD1  LEU   2          1HD1      LEU   2   3.921   4.915   5.010
   20   1HD2  LEU   2          2HD2      LEU   2   6.817   6.972   4.741
   21   2HD2  LEU   2          3HD2      LEU   2   6.681   6.007   3.252
   22   3HD2  LEU   2          1HD2      LEU   2   5.218   6.666   4.021
   23    H    VAL   3           H        VAL   3   9.489   1.708   4.778
   24    HA   VAL   3           HA       VAL   3   9.744   2.962   2.204
   25    HB   VAL   3           HB       VAL   3  11.536   4.008   3.581
   26   1HG1  VAL   3          1HG1      VAL   3  11.940   1.957   5.001
   27   2HG1  VAL   3          2HG1      VAL   3  12.809   1.255   3.616
   28   3HG1  VAL   3          3HG1      VAL   3  13.407   2.749   4.378
   29   1HG2  VAL   3          3HG2      VAL   3  12.284   2.253   1.230
   30   2HG2  VAL   3          1HG2      VAL   3  11.875   3.984   1.233
   31   3HG2  VAL   3          2HG2      VAL   3  13.407   3.430   1.953
   32    H    ALA   4           H        ALA   4  10.471   1.439   0.575
   33    HA   ALA   4           HA       ALA   4  10.624  -0.563  -0.352
   34   1HB   ALA   4          2HB       ALA   4  12.084  -0.793   2.154
   35   2HB   ALA   4          3HB       ALA   4  11.343  -2.349   1.708
   36   3HB   ALA   4          1HB       ALA   4  12.435  -1.525   0.570
   37    H    LYS   5           H        LYS   5   8.111   0.111  -0.017
   38    HA   LYS   5           HA       LYS   5   6.861  -2.217   1.271
   39   1HB   LYS   5          1HB       LYS   5   5.902   0.646   1.057
   40   2HB   LYS   5          2HB       LYS   5   4.841  -0.685   1.476
   41   1HG   LYS   5          1HG       LYS   5   7.434  -0.424   2.996
   42   2HG   LYS   5          2HG       LYS   5   6.158   0.723   3.357
   43   1HD   LYS   5          1HD       LYS   5   5.507  -2.235   3.240
   44   2HD   LYS   5          2HD       LYS   5   6.290  -1.585   4.667
   45   1HE   LYS   5          1HE       LYS   5   3.791  -0.277   3.524
   46   2HE   LYS   5          2HE       LYS   5   3.674  -1.649   4.610
   47   1HZ   LYS   5          2HZ       LYS   5   5.467   0.129   5.722
   48   2HZ   LYS   5          3HZ       LYS   5   4.177   1.010   5.249
   49   3HZ   LYS   5          1HZ       LYS   5   3.975  -0.252   6.263
   50    H    SER   6           H        SER   6   4.585  -2.643   0.215
   51    HA   SER   6           HA       SER   6   4.502  -1.949  -2.551
   52   1HB   SER   6          1HB       SER   6   5.996  -3.814  -2.793
   53   2HB   SER   6          2HB       SER   6   5.104  -4.784  -1.637
   54    HG   SER   6           HG       SER   6   4.676  -5.394  -3.868
   55    H    SER   7           H        SER   7   2.459  -3.018  -3.594
   56    HA   SER   7           HA       SER   7   0.479  -3.370  -1.479
   57   1HB   SER   7          1HB       SER   7  -0.295  -1.393  -2.359
   58   2HB   SER   7          2HB       SER   7   0.510  -1.633  -3.897
   59    HG   SER   7           HG       SER   7  -1.756  -1.778  -4.207
   60    H    ILE   8           H        ILE   8  -1.108  -5.023  -1.799
   61    HA   ILE   8           HA       ILE   8  -0.894  -6.557  -4.268
   62    HB   ILE   8           HB       ILE   8  -0.613  -7.763  -1.513
   63   1HG1  ILE   8          1HG1      ILE   8   1.615  -8.525  -2.808
   64   2HG1  ILE   8          2HG1      ILE   8   1.359  -6.987  -3.608
   65   1HG2  ILE   8          3HG2      ILE   8  -1.937  -9.089  -3.204
   66   2HG2  ILE   8          1HG2      ILE   8  -0.454  -9.169  -4.186
   67   3HG2  ILE   8          2HG2      ILE   8  -0.484  -9.889  -2.558
   68   1HD1  ILE   8          2HD1      ILE   8   1.479  -7.397  -0.584
   69   2HD1  ILE   8          3HD1      ILE   8   2.780  -6.720  -1.593
   70   3HD1  ILE   8          1HD1      ILE   8   1.246  -5.836  -1.407
   71    H    LEU   9           H        LEU   9  -2.908  -6.657  -5.088
   72    HA   LEU   9           HA       LEU   9  -5.138  -6.262  -3.284
   73   1HB   LEU   9          1HB       LEU   9  -4.863  -5.042  -5.452
   74   2HB   LEU   9          2HB       LEU   9  -5.108  -6.563  -6.289
   75    HG   LEU   9           HG       LEU   9  -7.361  -6.725  -5.136
   76   1HD1  LEU   9          3HD1      LEU   9  -6.420  -4.660  -3.578
   77   2HD1  LEU   9          1HD1      LEU   9  -7.521  -3.831  -4.704
   78   3HD1  LEU   9          2HD1      LEU   9  -8.116  -5.181  -3.709
   79   1HD2  LEU   9          2HD2      LEU   9  -6.649  -4.650  -7.185
   80   2HD2  LEU   9          3HD2      LEU   9  -7.505  -6.197  -7.379
   81   3HD2  LEU   9          1HD2      LEU   9  -8.329  -4.813  -6.623
   82    H    LEU  10           H        LEU  10  -6.143  -7.930  -2.311
   83    HA   LEU  10           HA       LEU  10  -5.793 -10.572  -3.512
   84   1HB   LEU  10          1HB       LEU  10  -6.505  -9.658  -0.729
   85   2HB   LEU  10          2HB       LEU  10  -6.624 -11.328  -1.246
   86    HG   LEU  10           HG       LEU  10  -4.116 -11.050  -1.920
   87   1HD1  LEU  10          3HD1      LEU  10  -4.446  -8.474  -1.280
   88   2HD1  LEU  10          1HD1      LEU  10  -3.939  -9.091   0.311
   89   3HD1  LEU  10          2HD1      LEU  10  -2.890  -9.322  -1.109
   90   1HD2  LEU  10          2HD2      LEU  10  -5.435 -11.710   0.605
   91   2HD2  LEU  10          3HD2      LEU  10  -4.153 -12.567  -0.285
   92   3HD2  LEU  10          1HD2      LEU  10  -3.733 -11.227   0.808
   93    H    ASP  11           H        ASP  11  -7.650 -12.020  -3.688
   94    HA   ASP  11           HA       ASP  11 -10.184 -10.607  -3.646
   95   1HB   ASP  11          1HB       ASP  11  -8.791 -11.197  -6.009
   96   2HB   ASP  11          2HB       ASP  11  -9.915 -12.535  -5.874
   97    H    VAL  12           H        VAL  12 -10.923 -11.867  -1.848
   98    HA   VAL  12           HA       VAL  12 -10.564 -14.734  -1.919
   99    HB   VAL  12           HB       VAL  12 -12.022 -12.976   0.063
  100   1HG1  VAL  12          1HG1      VAL  12 -11.761 -15.823  -0.191
  101   2HG1  VAL  12          2HG1      VAL  12 -10.881 -15.287   1.260
  102   3HG1  VAL  12          3HG1      VAL  12 -12.602 -14.880   1.063
  103   1HG2  VAL  12          3HG2      VAL  12  -9.619 -12.341  -0.261
  104   2HG2  VAL  12          1HG2      VAL  12 -10.006 -12.920   1.377
  105   3HG2  VAL  12          2HG2      VAL  12  -9.167 -13.992   0.230
  106    H    LYS  13           H        LYS  13 -12.281 -16.273  -2.018
  107    HA   LYS  13           HA       LYS  13 -14.731 -15.150  -3.190
  108   1HB   LYS  13          1HB       LYS  13 -13.208 -16.488  -4.714
  109   2HB   LYS  13          2HB       LYS  13 -13.564 -17.892  -3.729
  110   1HG   LYS  13          1HG       LYS  13 -16.062 -16.570  -4.358
  111   2HG   LYS  13          2HG       LYS  13 -15.152 -16.760  -5.843
  112   1HD   LYS  13          1HD       LYS  13 -14.844 -19.191  -5.349
  113   2HD   LYS  13          2HD       LYS  13 -15.737 -19.005  -3.853
  114   1HE   LYS  13          1HE       LYS  13 -17.576 -19.549  -5.094
  115   2HE   LYS  13          2HE       LYS  13 -17.509 -17.895  -5.667
  116   1HZ   LYS  13          2HZ       LYS  13 -15.924 -18.806  -7.392
  117   2HZ   LYS  13          3HZ       LYS  13 -16.457 -20.290  -6.969
  118   3HZ   LYS  13          1HZ       LYS  13 -17.503 -19.186  -7.562
  119    HA   PRO  14           HA       PRO  14 -16.532 -16.878   0.381
  120   1HB   PRO  14          1HB       PRO  14 -19.084 -15.999  -0.050
  121   2HB   PRO  14          2HB       PRO  14 -17.850 -15.021   0.717
  122   1HG   PRO  14          1HG       PRO  14 -18.931 -14.823  -2.027
  123   2HG   PRO  14          2HG       PRO  14 -18.036 -13.627  -1.112
  124   1HD   PRO  14          1HD       PRO  14 -17.025 -15.280  -3.227
  125   2HD   PRO  14          2HD       PRO  14 -16.104 -14.168  -2.234
  126    H    TRP  15           H        TRP  15 -17.242 -18.857   0.939
  127    HA   TRP  15           HA       TRP  15 -17.527 -20.798  -0.904
  128   1HB   TRP  15          1HB       TRP  15 -18.523 -20.433   1.877
  129   2HB   TRP  15          2HB       TRP  15 -19.177 -21.772   0.955
  130    HD1  TRP  15           HD       TRP  15 -16.378 -21.085   3.206
  131    HE1  TRP  15          1HE       TRP  15 -14.425 -22.856   3.078
  132    HE3  TRP  15          3HE       TRP  15 -17.875 -23.197  -1.171
  133    HZ2  TRP  15          2HZ       TRP  15 -13.742 -24.895   1.202
  134    HZ3  TRP  15          3HZ       TRP  15 -16.509 -25.072  -2.082
  135    HH2  TRP  15           HH       TRP  15 -14.507 -25.925  -0.969
  136    H    ASP  16           H        ASP  16 -20.007 -18.473   0.280
  137    HA   ASP  16           HA       ASP  16 -21.414 -18.614  -2.103
  138   1HB   ASP  16          1HB       ASP  16 -22.119 -20.635  -0.136
  139   2HB   ASP  16          2HB       ASP  16 -23.460 -19.520  -0.305
  140    H    ASP  17           H        ASP  17 -23.827 -17.559  -1.566
  141    HA   ASP  17           HA       ASP  17 -23.399 -15.083  -0.628
  142   1HB   ASP  17          1HB       ASP  17 -26.038 -15.390   0.027
  143   2HB   ASP  17          2HB       ASP  17 -25.466 -15.139  -1.610
  144    H    GLU  18           H        GLU  18 -24.046 -18.090   1.156
  145    HA   GLU  18           HA       GLU  18 -25.002 -17.088   3.511
  146   1HB   GLU  18          1HB       GLU  18 -24.173 -19.183   4.526
  147   2HB   GLU  18          2HB       GLU  18 -24.915 -19.492   2.969
  148   1HG   GLU  18          1HG       GLU  18 -22.633 -19.473   1.902
  149   2HG   GLU  18          2HG       GLU  18 -21.914 -19.228   3.481
  150    H    THR  19           H        THR  19 -21.607 -17.427   2.343
  151    HA   THR  19           HA       THR  19 -20.321 -16.751   4.717
  152    HB   THR  19           HB       THR  19 -19.699 -16.646   1.750
  153    HG1  THR  19          1HG       THR  19 -19.638 -18.600   3.168
  154   1HG2  THR  19          3HG2      THR  19 -17.862 -15.741   4.031
  155   2HG2  THR  19          1HG2      THR  19 -17.334 -16.076   2.365
  156   3HG2  THR  19          2HG2      THR  19 -18.433 -14.715   2.694
  157    H    ASP  20           H        ASP  20 -21.077 -15.090   5.946
  158    HA   ASP  20           HA       ASP  20 -22.225 -12.829   5.149
  159   1HB   ASP  20          1HB       ASP  20 -20.814 -13.764   7.497
  160   2HB   ASP  20          2HB       ASP  20 -20.369 -12.091   7.227
  161    H    MET  21           H        MET  21 -21.509 -10.704   4.468
  162    HA   MET  21           HA       MET  21 -18.793 -10.712   3.442
  163   1HB   MET  21          1HB       MET  21 -21.351  -9.177   2.795
  164   2HB   MET  21          2HB       MET  21 -19.805  -8.579   2.226
  165   1HG   MET  21          1HG       MET  21 -20.016 -11.438   1.671
  166   2HG   MET  21          2HG       MET  21 -21.421 -10.606   1.033
  167   1HE   MET  21          1HE       MET  21 -18.450 -12.023   0.147
  168   2HE   MET  21          2HE       MET  21 -19.599 -11.892  -1.208
  169   3HE   MET  21          3HE       MET  21 -17.971 -11.185  -1.349
  170    H    ALA  22           H        ALA  22 -20.598  -9.587   6.095
  171    HA   ALA  22           HA       ALA  22 -19.217  -7.060   6.339
  172   1HB   ALA  22          3HB       ALA  22 -21.676  -7.783   7.054
  173   2HB   ALA  22          1HB       ALA  22 -20.842  -8.308   8.536
  174   3HB   ALA  22          2HB       ALA  22 -20.746  -6.609   8.016
  175    H    LYS  23           H        LYS  23 -18.994 -10.424   7.457
  176    HA   LYS  23           HA       LYS  23 -17.033  -9.718   9.464
  177   1HB   LYS  23          1HB       LYS  23 -17.651 -12.546   8.708
  178   2HB   LYS  23          2HB       LYS  23 -17.297 -11.857  10.280
  179   1HG   LYS  23          1HG       LYS  23 -19.710 -10.624   9.225
  180   2HG   LYS  23          2HG       LYS  23 -19.868 -12.366   9.128
  181   1HD   LYS  23          1HD       LYS  23 -19.498 -12.645  11.490
  182   2HD   LYS  23          2HD       LYS  23 -18.879 -11.016  11.669
  183   1HE   LYS  23          1HE       LYS  23 -21.586 -10.996  10.527
  184   2HE   LYS  23          2HE       LYS  23 -21.552 -11.860  12.051
  185   1HZ   LYS  23          3HZ       LYS  23 -20.143  -9.810  12.751
  186   2HZ   LYS  23          1HZ       LYS  23 -20.936  -9.079  11.524
  187   3HZ   LYS  23          2HZ       LYS  23 -21.774  -9.740  12.759
  188    H    LEU  24           H        LEU  24 -17.226 -11.487   6.314
  189    HA   LEU  24           HA       LEU  24 -14.540 -12.186   6.200
  190   1HB   LEU  24          1HB       LEU  24 -16.794 -12.574   4.681
  191   2HB   LEU  24          2HB       LEU  24 -15.822 -11.553   3.639
  192    HG   LEU  24           HG       LEU  24 -15.047 -14.242   4.796
  193   1HD1  LEU  24          2HD1      LEU  24 -16.563 -13.698   2.589
  194   2HD1  LEU  24          3HD1      LEU  24 -14.929 -13.793   1.891
  195   3HD1  LEU  24          1HD1      LEU  24 -15.579 -15.163   2.824
  196   1HD2  LEU  24          1HD2      LEU  24 -13.379 -12.073   3.655
  197   2HD2  LEU  24          2HD2      LEU  24 -12.963 -13.372   4.798
  198   3HD2  LEU  24          3HD2      LEU  24 -13.059 -13.718   3.055
  199    H    GLU  25           H        GLU  25 -16.268  -9.163   5.349
  200    HA   GLU  25           HA       GLU  25 -13.967  -8.039   4.140
  201   1HB   GLU  25          1HB       GLU  25 -16.359  -7.422   3.590
  202   2HB   GLU  25          2HB       GLU  25 -16.480  -6.639   5.152
  203   1HG   GLU  25          1HG       GLU  25 -14.081  -5.639   3.978
  204   2HG   GLU  25          2HG       GLU  25 -15.271  -5.640   2.691
  205    H    GLU  26           H        GLU  26 -15.486  -8.027   7.380
  206    HA   GLU  26           HA       GLU  26 -13.869  -5.936   8.355
  207   1HB   GLU  26          1HB       GLU  26 -15.839  -6.189   9.581
  208   2HB   GLU  26          2HB       GLU  26 -15.781  -7.941   9.530
  209   1HG   GLU  26          1HG       GLU  26 -14.438  -8.091  11.397
  210   2HG   GLU  26          2HG       GLU  26 -13.495  -6.678  10.965
  211    H    CYS  27           H        CYS  27 -13.892  -9.525   8.979
  212    HA   CYS  27           HA       CYS  27 -11.750  -9.767  10.548
  213   1HB   CYS  27          1HB       CYS  27 -13.209 -11.620   9.669
  214   2HB   CYS  27          2HB       CYS  27 -12.275 -11.599   8.187
  215    HG   CYS  27           HG       CYS  27 -11.433 -12.328  11.282
  216    H    VAL  28           H        VAL  28 -11.571  -9.987   6.910
  217    HA   VAL  28           HA       VAL  28  -8.920 -10.026   6.552
  218    HB   VAL  28           HB       VAL  28 -11.192  -8.788   5.068
  219   1HG1  VAL  28          3HG1      VAL  28  -8.350  -8.042   4.715
  220   2HG1  VAL  28          1HG1      VAL  28  -9.197  -8.534   3.228
  221   3HG1  VAL  28          2HG1      VAL  28  -9.834  -7.196   4.215
  222   1HG2  VAL  28          3HG2      VAL  28 -10.147 -11.305   5.160
  223   2HG2  VAL  28          1HG2      VAL  28 -11.067 -10.644   3.785
  224   3HG2  VAL  28          2HG2      VAL  28  -9.287 -10.632   3.754
  225    H    ARG  29           H        ARG  29 -10.909  -7.175   7.457
  226    HA   ARG  29           HA       ARG  29  -8.723  -5.411   7.226
  227   1HB   ARG  29          1HB       ARG  29 -11.467  -5.117   7.413
  228   2HB   ARG  29          2HB       ARG  29 -10.983  -4.657   9.032
  229   1HG   ARG  29          1HG       ARG  29  -9.274  -3.471   6.916
  230   2HG   ARG  29          2HG       ARG  29 -10.954  -2.986   6.804
  231   1HD   ARG  29          1HD       ARG  29  -9.877  -2.938   9.578
  232   2HD   ARG  29          2HD       ARG  29  -9.072  -1.826   8.487
  233    HE   ARG  29           HE       ARG  29 -11.749  -1.395   7.940
  234   1HH1  ARG  29          2HH2      ARG  29  -9.843  -1.392  10.897
  235   2HH1  ARG  29          1HH2      ARG  29 -10.849  -0.229  11.696
  236   1HH2  ARG  29          2HH1      ARG  29 -13.077   0.138   8.993
  237   2HH2  ARG  29          1HH1      ARG  29 -12.701   0.647  10.606
  238    H    SER  30           H        SER  30 -10.571  -6.842  10.020
  239    HA   SER  30           HA       SER  30  -9.366  -5.774  12.100
  240   1HB   SER  30          1HB       SER  30  -9.800  -7.838  13.336
  241   2HB   SER  30          2HB       SER  30 -11.096  -7.567  12.189
  242    HG   SER  30           HG       SER  30  -8.985  -9.506  12.106
  243    H    ILE  31           H        ILE  31  -8.006  -8.451  10.078
  244    HA   ILE  31           HA       ILE  31  -5.819  -9.165  11.445
  245    HB   ILE  31           HB       ILE  31  -6.144  -8.646   8.494
  246   1HG1  ILE  31          1HG1      ILE  31  -6.132 -11.270  10.001
  247   2HG1  ILE  31          2HG1      ILE  31  -7.596 -10.357   9.692
  248   1HG2  ILE  31          3HG2      ILE  31  -3.784  -9.654  10.028
  249   2HG2  ILE  31          1HG2      ILE  31  -4.171 -10.399   8.458
  250   3HG2  ILE  31          2HG2      ILE  31  -3.857  -8.650   8.561
  251   1HD1  ILE  31          3HD1      ILE  31  -6.595 -10.350   7.175
  252   2HD1  ILE  31          1HD1      ILE  31  -5.845 -11.850   7.772
  253   3HD1  ILE  31          2HD1      ILE  31  -7.615 -11.672   7.793
  254    H    GLN  32           H        GLN  32  -4.015  -8.240  12.277
  255    HA   GLN  32           HA       GLN  32  -3.277  -5.654  11.156
  256   1HB   GLN  32          1HB       GLN  32  -4.539  -5.632  13.459
  257   2HB   GLN  32          2HB       GLN  32  -3.033  -6.235  14.123
  258   1HG   GLN  32          1HG       GLN  32  -2.517  -3.991  12.318
  259   2HG   GLN  32          2HG       GLN  32  -3.693  -3.532  13.534
  260   1HE2  GLN  32          2HE2      GLN  32  -0.830  -2.659  15.397
  261   2HE2  GLN  32          1HE2      GLN  32  -2.086  -2.104  14.340
  262    H    ALA  33           H        ALA  33  -0.974  -5.125  11.333
  263    HA   ALA  33           HA       ALA  33   0.827  -7.015  12.456
  264   1HB   ALA  33          3HB       ALA  33  -0.046  -7.360   9.686
  265   2HB   ALA  33          1HB       ALA  33   1.710  -7.092   9.799
  266   3HB   ALA  33          2HB       ALA  33   0.953  -8.426  10.703
  267    H    ASP  34           H        ASP  34   2.961  -6.150  12.559
  268    HA   ASP  34           HA       ASP  34   3.088  -3.426  12.654
  269   1HB   ASP  34          1HB       ASP  34   4.662  -5.189  13.681
  270   2HB   ASP  34          2HB       ASP  34   5.455  -5.275  12.120
  271    H    GLY  35           H        GLY  35   4.421  -5.746  10.177
  272   1HA   GLY  35          1HA       GLY  35   5.095  -3.558   8.381
  273   2HA   GLY  35          2HA       GLY  35   5.433  -5.264   8.169
  274    H    LEU  36           H        LEU  36   2.188  -4.196   9.147
  275    HA   LEU  36           HA       LEU  36   1.273  -4.736   6.407
  276   1HB   LEU  36          1HB       LEU  36   0.849  -6.576   8.067
  277   2HB   LEU  36          2HB       LEU  36  -0.183  -5.467   8.948
  278    HG   LEU  36           HG       LEU  36  -1.110  -5.371   6.293
  279   1HD1  LEU  36          1HD1      LEU  36   0.338  -7.678   6.412
  280   2HD1  LEU  36          2HD1      LEU  36  -1.275  -8.248   6.904
  281   3HD1  LEU  36          3HD1      LEU  36  -1.065  -7.406   5.350
  282   1HD2  LEU  36          1HD2      LEU  36  -2.058  -6.113   8.949
  283   2HD2  LEU  36          2HD2      LEU  36  -2.892  -5.264   7.625
  284   3HD2  LEU  36          3HD2      LEU  36  -2.851  -7.043   7.655
  285    H    VAL  37           H        VAL  37   0.199  -3.079   5.472
  286    HA   VAL  37           HA       VAL  37  -1.011  -1.109   7.284
  287    HB   VAL  37           HB       VAL  37   0.744  -0.682   4.870
  288   1HG1  VAL  37          3HG1      VAL  37  -1.353   0.700   4.729
  289   2HG1  VAL  37          1HG1      VAL  37  -0.886   1.459   6.270
  290   3HG1  VAL  37          2HG1      VAL  37   0.152   1.644   4.836
  291   1HG2  VAL  37          3HG2      VAL  37   1.830  -0.912   7.095
  292   2HG2  VAL  37          1HG2      VAL  37   2.063   0.696   6.368
  293   3HG2  VAL  37          2HG2      VAL  37   0.875   0.474   7.675
  294    H    TRP  38           H        TRP  38  -3.149  -1.695   7.070
  295    HA   TRP  38           HA       TRP  38  -4.239  -2.658   4.663
  296   1HB   TRP  38          1HB       TRP  38  -5.290  -1.756   7.303
  297   2HB   TRP  38          2HB       TRP  38  -6.415  -1.869   5.964
  298    HD1  TRP  38           HD       TRP  38  -5.595  -3.932   8.711
  299    HE1  TRP  38          1HE       TRP  38  -5.794  -6.534   8.318
  300    HE3  TRP  38          3HE       TRP  38  -5.573  -3.696   3.632
  301    HZ2  TRP  38          2HZ       TRP  38  -5.916  -8.165   5.979
  302    HZ3  TRP  38          3HZ       TRP  38  -5.735  -5.839   2.369
  303    HH2  TRP  38           HH       TRP  38  -5.902  -8.020   3.461
  304    H    GLY  39           H        GLY  39  -5.367  -1.575   3.006
  305   1HA   GLY  39          1HA       GLY  39  -5.019   1.354   3.006
  306   2HA   GLY  39          2HA       GLY  39  -5.117   0.321   1.594
  307    H    SER  40           H        SER  40  -7.153  -0.387   0.796
  308    HA   SER  40           HA       SER  40  -9.477   0.283   2.335
  309   1HB   SER  40          1HB       SER  40  -8.497   2.054   0.279
  310   2HB   SER  40          2HB       SER  40  -9.983   1.326  -0.300
  311    HG   SER  40           HG       SER  40  -9.869   2.363   2.375
  312    H    SER  41           H        SER  41 -11.172  -1.146   1.865
  313    HA   SER  41           HA       SER  41 -10.538  -3.099  -0.176
  314   1HB   SER  41          1HB       SER  41 -12.276  -4.488   0.955
  315   2HB   SER  41          2HB       SER  41 -10.994  -4.000   2.045
  316    HG   SER  41           HG       SER  41 -13.562  -3.674   2.469
  317    H    LYS  42           H        LYS  42 -12.362  -3.912  -1.588
  318    HA   LYS  42           HA       LYS  42 -14.475  -1.921  -1.939
  319   1HB   LYS  42          1HB       LYS  42 -14.032  -2.385  -4.499
  320   2HB   LYS  42          2HB       LYS  42 -13.168  -1.130  -3.635
  321   1HG   LYS  42          1HG       LYS  42 -11.160  -2.267  -3.695
  322   2HG   LYS  42          2HG       LYS  42 -11.915  -3.835  -3.489
  323   1HD   LYS  42          1HD       LYS  42 -11.079  -3.880  -5.717
  324   2HD   LYS  42          2HD       LYS  42 -12.795  -3.579  -5.909
  325   1HE   LYS  42          1HE       LYS  42 -12.293  -1.093  -6.034
  326   2HE   LYS  42          2HE       LYS  42 -10.583  -1.472  -5.980
  327   1HZ   LYS  42          3HZ       LYS  42 -11.256  -3.026  -7.936
  328   2HZ   LYS  42          1HZ       LYS  42 -12.488  -1.968  -8.104
  329   3HZ   LYS  42          2HZ       LYS  42 -10.944  -1.445  -8.194
  330    H    LEU  43           H        LEU  43 -16.274  -2.819  -3.370
  331    HA   LEU  43           HA       LEU  43 -16.433  -5.728  -2.988
  332   1HB   LEU  43          1HB       LEU  43 -18.248  -3.554  -2.158
  333   2HB   LEU  43          2HB       LEU  43 -19.025  -4.923  -2.930
  334    HG   LEU  43           HG       LEU  43 -19.080  -5.275  -0.573
  335   1HD1  LEU  43          1HD1      LEU  43 -17.805  -7.068  -2.355
  336   2HD1  LEU  43          2HD1      LEU  43 -16.950  -7.181  -0.798
  337   3HD1  LEU  43          3HD1      LEU  43 -18.710  -7.440  -0.868
  338   1HD2  LEU  43          3HD2      LEU  43 -16.946  -3.721  -0.314
  339   2HD2  LEU  43          1HD2      LEU  43 -17.406  -4.907   0.931
  340   3HD2  LEU  43          2HD2      LEU  43 -16.116  -5.293  -0.232
  341    H    VAL  44           H        VAL  44 -17.924  -6.821  -4.552
  342    HA   VAL  44           HA       VAL  44 -18.574  -5.340  -6.926
  343    HB   VAL  44           HB       VAL  44 -16.378  -7.411  -6.889
  344   1HG1  VAL  44          3HG1      VAL  44 -18.075  -7.823  -8.710
  345   2HG1  VAL  44          1HG1      VAL  44 -17.668  -6.217  -9.360
  346   3HG1  VAL  44          2HG1      VAL  44 -16.423  -7.487  -9.281
  347   1HG2  VAL  44          2HG2      VAL  44 -16.510  -4.516  -7.786
  348   2HG2  VAL  44          3HG2      VAL  44 -15.544  -5.203  -6.458
  349   3HG2  VAL  44          1HG2      VAL  44 -15.150  -5.608  -8.145
  350    HA   PRO  45           HA       PRO  45 -21.485  -8.584  -6.142
  351   1HB   PRO  45          1HB       PRO  45 -23.673  -7.272  -7.125
  352   2HB   PRO  45          2HB       PRO  45 -23.164  -7.166  -5.451
  353   1HG   PRO  45          1HG       PRO  45 -22.876  -5.164  -7.607
  354   2HG   PRO  45          2HG       PRO  45 -22.771  -4.932  -5.873
  355   1HD   PRO  45          1HD       PRO  45 -20.583  -5.049  -7.724
  356   2HD   PRO  45          2HD       PRO  45 -20.475  -4.934  -5.979
  357    H    VAL  46           H        VAL  46 -22.044 -10.341  -7.317
  358    HA   VAL  46           HA       VAL  46 -21.413 -10.058 -10.139
  359    HB   VAL  46           HB       VAL  46 -20.450 -11.857  -8.709
  360   1HG1  VAL  46          3HG1      VAL  46 -23.333 -12.797  -8.625
  361   2HG1  VAL  46          1HG1      VAL  46 -21.939 -13.833  -8.234
  362   3HG1  VAL  46          2HG1      VAL  46 -22.278 -12.388  -7.252
  363   1HG2  VAL  46          2HG2      VAL  46 -21.742 -12.132 -11.310
  364   2HG2  VAL  46          3HG2      VAL  46 -20.149 -12.703 -10.759
  365   3HG2  VAL  46          1HG2      VAL  46 -21.599 -13.693 -10.466
  366    H    GLY  47           H        GLY  47 -24.142 -10.557  -7.909
  367   1HA   GLY  47          1HA       GLY  47 -25.975 -10.121 -10.137
  368   2HA   GLY  47          2HA       GLY  47 -26.132 -11.639  -9.273
  369    H    TYR  48           H        TYR  48 -25.949 -11.255  -6.675
  370    HA   TYR  48           HA       TYR  48 -26.786  -8.889  -5.547
  371   1HB   TYR  48          1HB       TYR  48 -28.810 -10.424  -7.055
  372   2HB   TYR  48          2HB       TYR  48 -29.255 -10.375  -5.360
  373    HD1  TYR  48          2HD       TYR  48 -28.564  -7.753  -4.420
  374    HD2  TYR  48          1HD       TYR  48 -30.061  -8.893  -8.262
  375    HE1  TYR  48          2HE       TYR  48 -29.524  -5.422  -4.745
  376    HE2  TYR  48          1HE       TYR  48 -31.016  -6.558  -8.575
  377    HH   TYR  48           HH       TYR  48 -31.774  -4.638  -6.551
  378    H    GLY  49           H        GLY  49 -26.997 -12.459  -5.642
  379   1HA   GLY  49          1HA       GLY  49 -27.400 -12.702  -2.798
  380   2HA   GLY  49          2HA       GLY  49 -27.116 -13.985  -3.957
  381    H    ILE  50           H        ILE  50 -24.724 -13.618  -5.097
  382    HA   ILE  50           HA       ILE  50 -22.924 -13.726  -2.814
  383    HB   ILE  50           HB       ILE  50 -22.792 -14.688  -5.658
  384   1HG1  ILE  50          1HG1      ILE  50 -22.052 -16.677  -3.814
  385   2HG1  ILE  50          2HG1      ILE  50 -23.409 -15.852  -3.073
  386   1HG2  ILE  50          2HG2      ILE  50 -20.520 -14.534  -3.661
  387   2HG2  ILE  50          3HG2      ILE  50 -20.506 -15.521  -5.142
  388   3HG2  ILE  50          1HG2      ILE  50 -20.618 -13.749  -5.255
  389   1HD1  ILE  50          1HD1      ILE  50 -23.379 -16.924  -5.933
  390   2HD1  ILE  50          2HD1      ILE  50 -24.150 -17.725  -4.543
  391   3HD1  ILE  50          3HD1      ILE  50 -24.764 -16.157  -5.119
  392    H    LYS  51           H        LYS  51 -20.725 -12.700  -3.049
  393    HA   LYS  51           HA       LYS  51 -20.649 -10.440  -4.850
  394   1HB   LYS  51          1HB       LYS  51 -21.225 -10.192  -1.956
  395   2HB   LYS  51          2HB       LYS  51 -19.959  -9.141  -2.557
  396   1HG   LYS  51          1HG       LYS  51 -21.420  -8.143  -4.199
  397   2HG   LYS  51          2HG       LYS  51 -22.629  -9.396  -3.999
  398   1HD   LYS  51          1HD       LYS  51 -21.860  -7.733  -1.593
  399   2HD   LYS  51          2HD       LYS  51 -22.901  -7.016  -2.808
  400   1HE   LYS  51          1HE       LYS  51 -24.552  -8.809  -2.550
  401   2HE   LYS  51          2HE       LYS  51 -23.476  -9.719  -1.508
  402   1HZ   LYS  51          3HZ       LYS  51 -23.544  -7.580  -0.107
  403   2HZ   LYS  51          1HZ       LYS  51 -24.925  -7.266  -0.921
  404   3HZ   LYS  51          2HZ       LYS  51 -24.795  -8.628  -0.028
  405    H    LYS  52           H        LYS  52 -18.458  -9.394  -4.819
  406    HA   LYS  52           HA       LYS  52 -16.486 -11.479  -4.453
  407   1HB   LYS  52          1HB       LYS  52 -16.904  -9.421  -6.324
  408   2HB   LYS  52          2HB       LYS  52 -15.470  -8.943  -5.437
  409   1HG   LYS  52          1HG       LYS  52 -14.479 -11.217  -5.829
  410   2HG   LYS  52          2HG       LYS  52 -15.906 -11.674  -6.737
  411   1HD   LYS  52          1HD       LYS  52 -15.345  -9.457  -8.130
  412   2HD   LYS  52          2HD       LYS  52 -13.738  -9.703  -7.478
  413   1HE   LYS  52          1HE       LYS  52 -13.397 -11.685  -8.661
  414   2HE   LYS  52          2HE       LYS  52 -15.096 -12.112  -8.658
  415   1HZ   LYS  52          3HZ       LYS  52 -14.324  -9.739 -10.127
  416   2HZ   LYS  52          1HZ       LYS  52 -13.925 -11.184 -10.773
  417   3HZ   LYS  52          2HZ       LYS  52 -15.489 -10.834 -10.459
  418    H    LEU  53           H        LEU  53 -14.661 -11.341  -3.092
  419    HA   LEU  53           HA       LEU  53 -14.914  -9.257  -1.037
  420   1HB   LEU  53          1HB       LEU  53 -14.902 -12.080  -0.833
  421   2HB   LEU  53          2HB       LEU  53 -13.375 -11.522  -0.182
  422    HG   LEU  53           HG       LEU  53 -15.352 -11.804   1.425
  423   1HD1  LEU  53          2HD1      LEU  53 -13.156 -10.583   1.834
  424   2HD1  LEU  53          3HD1      LEU  53 -14.054  -9.079   1.522
  425   3HD1  LEU  53          1HD1      LEU  53 -14.531 -10.137   2.871
  426   1HD2  LEU  53          3HD2      LEU  53 -16.612 -10.097  -0.386
  427   2HD2  LEU  53          1HD2      LEU  53 -17.202 -10.590   1.220
  428   3HD2  LEU  53          2HD2      LEU  53 -16.277  -9.080   1.036
  429    H    GLN  54           H        GLN  54 -13.677  -7.893  -2.615
  430    HA   GLN  54           HA       GLN  54 -10.896  -8.714  -2.769
  431   1HB   GLN  54          1HB       GLN  54 -11.692  -8.110  -4.923
  432   2HB   GLN  54          2HB       GLN  54 -12.587  -6.731  -4.314
  433   1HG   GLN  54          1HG       GLN  54 -10.723  -5.361  -4.254
  434   2HG   GLN  54          2HG       GLN  54  -9.641  -6.664  -3.804
  435   1HE2  GLN  54          2HE2      GLN  54  -8.882  -7.745  -7.082
  436   2HE2  GLN  54          1HE2      GLN  54  -8.997  -8.202  -5.416
  437    H    ILE  55           H        ILE  55  -9.203  -7.428  -1.905
  438    HA   ILE  55           HA       ILE  55  -9.907  -4.936  -0.627
  439    HB   ILE  55           HB       ILE  55  -9.778  -5.536   1.511
  440   1HG1  ILE  55          1HG1      ILE  55  -7.351  -6.089   1.258
  441   2HG1  ILE  55          2HG1      ILE  55  -8.183  -7.003   2.501
  442   1HG2  ILE  55          3HG2      ILE  55 -10.293  -8.259   0.285
  443   2HG2  ILE  55          1HG2      ILE  55 -10.583  -7.829   1.988
  444   3HG2  ILE  55          2HG2      ILE  55 -11.501  -7.018   0.697
  445   1HD1  ILE  55          3HD1      ILE  55  -8.042  -8.164  -0.283
  446   2HD1  ILE  55          1HD1      ILE  55  -6.600  -8.235   0.757
  447   3HD1  ILE  55          2HD1      ILE  55  -8.117  -9.002   1.286
  448    H    GLN  56           H        GLN  56  -7.947  -3.735   0.066
  449    HA   GLN  56           HA       GLN  56  -5.608  -4.749  -1.355
  450   1HB   GLN  56          1HB       GLN  56  -6.642  -2.859  -2.574
  451   2HB   GLN  56          2HB       GLN  56  -6.571  -1.862  -1.135
  452   1HG   GLN  56          1HG       GLN  56  -4.643  -1.202  -2.341
  453   2HG   GLN  56          2HG       GLN  56  -4.004  -2.322  -1.153
  454   1HE2  GLN  56          2HE2      GLN  56  -3.858  -3.073  -5.168
  455   2HE2  GLN  56          1HE2      GLN  56  -4.617  -1.678  -4.475
  456    H    CYS  57           H        CYS  57  -3.559  -4.440  -0.347
  457    HA   CYS  57           HA       CYS  57  -3.680  -3.244   2.316
  458   1HB   CYS  57          1HB       CYS  57  -3.685  -5.913   2.109
  459   2HB   CYS  57          2HB       CYS  57  -1.959  -5.660   1.937
  460    HG   CYS  57           HG       CYS  57  -2.604  -3.626   4.062
  461    H    VAL  58           H        VAL  58  -0.986  -3.504   3.003
  462    HA   VAL  58           HA       VAL  58   0.616  -2.731   0.728
  463    HB   VAL  58           HB       VAL  58   0.030  -0.831   3.006
  464   1HG1  VAL  58          3HG1      VAL  58   2.460  -1.004   2.105
  465   2HG1  VAL  58          1HG1      VAL  58   1.807  -0.212   0.650
  466   3HG1  VAL  58          2HG1      VAL  58   1.702   0.602   2.230
  467   1HG2  VAL  58          1HG2      VAL  58  -0.702  -0.851   0.076
  468   2HG2  VAL  58          2HG2      VAL  58  -1.753  -0.620   1.494
  469   3HG2  VAL  58          3HG2      VAL  58  -0.622   0.664   1.006
  470    H    VAL  59           H        VAL  59   1.550  -4.823   1.388
  471    HA   VAL  59           HA       VAL  59   2.792  -4.896   3.993
  472    HB   VAL  59           HB       VAL  59   3.270  -7.131   3.513
  473   1HG1  VAL  59          3HG1      VAL  59   0.650  -6.299   2.248
  474   2HG1  VAL  59          1HG1      VAL  59   1.110  -8.007   2.449
  475   3HG1  VAL  59          2HG1      VAL  59   0.943  -6.956   3.876
  476   1HG2  VAL  59          2HG2      VAL  59   2.859  -6.478   0.576
  477   2HG2  VAL  59          3HG2      VAL  59   4.391  -6.894   1.382
  478   3HG2  VAL  59          1HG2      VAL  59   3.105  -8.116   1.227
  479    H    GLU  60           H        GLU  60   5.223  -5.812   3.890
  480    HA   GLU  60           HA       GLU  60   6.643  -3.713   2.561
  481   1HB   GLU  60          1HB       GLU  60   7.001  -5.264   4.920
  482   2HB   GLU  60          2HB       GLU  60   8.352  -5.666   3.880
  483   1HG   GLU  60          1HG       GLU  60   7.796  -2.776   3.855
  484   2HG   GLU  60          2HG       GLU  60   8.096  -3.359   5.481
  485    H    ASP  61           H        ASP  61   8.944  -4.481   1.600
  486    HA   ASP  61           HA       ASP  61   8.224  -6.488  -0.368
  487   1HB   ASP  61          1HB       ASP  61   9.068  -4.055  -0.909
  488   2HB   ASP  61          2HB       ASP  61  10.653  -4.662  -0.471
  489    H    ASP  62           H        ASP  62   9.646  -6.374   2.595
  490    HA   ASP  62           HA       ASP  62  11.250  -8.655   2.045
  491   1HB   ASP  62          1HB       ASP  62  12.668  -6.415   1.741
  492   2HB   ASP  62          2HB       ASP  62  12.668  -6.405   3.494
  493    H    LYS  63           H        LYS  63   8.831  -7.695   3.613
  494    HA   LYS  63           HA       LYS  63   9.772  -8.545   6.253
  495   1HB   LYS  63          1HB       LYS  63   9.083  -5.935   5.719
  496   2HB   LYS  63          2HB       LYS  63   7.564  -6.597   6.289
  497   1HG   LYS  63          1HG       LYS  63   8.321  -6.525   8.421
  498   2HG   LYS  63          2HG       LYS  63   9.610  -7.638   8.009
  499   1HD   LYS  63          1HD       LYS  63   9.833  -4.665   7.395
  500   2HD   LYS  63          2HD       LYS  63  10.277  -5.306   8.965
  501   1HE   LYS  63          1HE       LYS  63  11.987  -6.741   7.992
  502   2HE   LYS  63          2HE       LYS  63  11.424  -6.415   6.365
  503   1HZ   LYS  63          2HZ       LYS  63  11.975  -4.047   6.833
  504   2HZ   LYS  63          3HZ       LYS  63  12.724  -4.535   8.199
  505   3HZ   LYS  63          1HZ       LYS  63  13.262  -5.048   6.745
  506    H    VAL  64           H        VAL  64   6.714  -7.726   4.459
  507    HA   VAL  64           HA       VAL  64   5.807 -10.441   5.103
  508    HB   VAL  64           HB       VAL  64   4.261  -7.855   5.367
  509   1HG1  VAL  64          3HG1      VAL  64   3.169 -10.163   4.474
  510   2HG1  VAL  64          1HG1      VAL  64   3.048 -10.426   6.231
  511   3HG1  VAL  64          2HG1      VAL  64   2.299  -8.990   5.492
  512   1HG2  VAL  64          3HG2      VAL  64   5.227  -9.895   7.392
  513   2HG2  VAL  64          1HG2      VAL  64   5.657  -8.171   7.283
  514   3HG2  VAL  64          2HG2      VAL  64   4.008  -8.650   7.750
  515    H    GLY  65           H        GLY  65   4.620 -11.474   3.468
  516   1HA   GLY  65          1HA       GLY  65   4.027  -9.922   1.050
  517   2HA   GLY  65          2HA       GLY  65   5.136 -11.273   0.920
  518    H    THR  66           H        THR  66   1.780 -10.296   1.665
  519    HA   THR  66           HA       THR  66  -0.062 -11.567   2.058
  520    HB   THR  66           HB       THR  66   0.967 -12.758  -0.570
  521    HG1  THR  66          1HG       THR  66  -0.370 -10.274   0.240
  522   1HG2  THR  66          1HG2      THR  66  -1.270 -13.609   0.422
  523   2HG2  THR  66          2HG2      THR  66  -1.862 -11.940   0.244
  524   3HG2  THR  66          3HG2      THR  66  -1.369 -12.867  -1.193
  525    H    ASP  67           H        ASP  67   1.996 -12.584   3.665
  526    HA   ASP  67           HA       ASP  67   1.799 -15.443   3.243
  527   1HB   ASP  67          1HB       ASP  67   3.431 -15.387   5.304
  528   2HB   ASP  67          2HB       ASP  67   4.035 -14.925   3.725
  529    H    MET  68           H        MET  68   1.642 -13.004   5.959
  530    HA   MET  68           HA       MET  68   0.281 -14.763   7.663
  531   1HB   MET  68          1HB       MET  68   1.656 -12.403   7.952
  532   2HB   MET  68          2HB       MET  68   0.020 -11.778   8.005
  533   1HG   MET  68          1HG       MET  68  -0.337 -13.813   9.730
  534   2HG   MET  68          2HG       MET  68   1.397 -13.657   9.926
  535   1HE   MET  68          2HE       MET  68  -1.592 -11.703   9.172
  536   2HE   MET  68          3HE       MET  68  -2.058 -11.129  10.791
  537   3HE   MET  68          1HE       MET  68  -1.158 -10.057   9.690
  538    H    LEU  69           H        LEU  69  -0.771 -11.974   5.606
  539    HA   LEU  69           HA       LEU  69  -3.400 -11.868   6.386
  540   1HB   LEU  69          1HB       LEU  69  -2.034 -11.298   3.763
  541   2HB   LEU  69          2HB       LEU  69  -3.749 -11.023   3.998
  542    HG   LEU  69           HG       LEU  69  -1.440  -9.655   5.386
  543   1HD1  LEU  69          2HD1      LEU  69  -3.364  -8.958   3.262
  544   2HD1  LEU  69          3HD1      LEU  69  -3.123  -7.708   4.506
  545   3HD1  LEU  69          1HD1      LEU  69  -1.730  -8.335   3.593
  546   1HD2  LEU  69          1HD2      LEU  69  -4.213 -10.045   6.333
  547   2HD2  LEU  69          2HD2      LEU  69  -2.725  -9.664   7.233
  548   3HD2  LEU  69          3HD2      LEU  69  -3.608  -8.372   6.385
  549    H    GLU  70           H        GLU  70  -1.708 -14.231   4.343
  550    HA   GLU  70           HA       GLU  70  -4.082 -15.325   3.284
  551   1HB   GLU  70          1HB       GLU  70  -1.957 -15.577   2.103
  552   2HB   GLU  70          2HB       GLU  70  -1.235 -16.395   3.474
  553   1HG   GLU  70          1HG       GLU  70  -3.281 -18.082   3.163
  554   2HG   GLU  70          2HG       GLU  70  -3.323 -17.420   1.541
  555    H    GLU  71           H        GLU  71  -1.681 -16.576   5.723
  556    HA   GLU  71           HA       GLU  71  -3.237 -18.726   6.473
  557   1HB   GLU  71          1HB       GLU  71  -0.868 -17.276   7.562
  558   2HB   GLU  71          2HB       GLU  71  -1.760 -18.231   8.729
  559   1HG   GLU  71          1HG       GLU  71  -1.581 -19.882   6.429
  560   2HG   GLU  71          2HG       GLU  71  -0.004 -19.128   6.562
  561    H    GLN  72           H        GLN  72  -3.812 -15.399   6.918
  562    HA   GLN  72           HA       GLN  72  -5.311 -15.883   9.359
  563   1HB   GLN  72          1HB       GLN  72  -4.482 -13.288   7.988
  564   2HB   GLN  72          2HB       GLN  72  -5.471 -13.356   9.433
  565   1HG   GLN  72          1HG       GLN  72  -3.109 -15.028   9.786
  566   2HG   GLN  72          2HG       GLN  72  -2.623 -13.425   9.273
  567   1HE2  GLN  72          2HE2      GLN  72  -3.846 -14.155  13.045
  568   2HE2  GLN  72          1HE2      GLN  72  -3.535 -15.358  11.837
  569    H    ILE  73           H        ILE  73  -5.615 -14.336   6.085
  570    HA   ILE  73           HA       ILE  73  -8.409 -13.998   6.308
  571    HB   ILE  73           HB       ILE  73  -6.555 -14.014   3.926
  572   1HG1  ILE  73          1HG1      ILE  73  -7.774 -11.601   5.262
  573   2HG1  ILE  73          2HG1      ILE  73  -6.277 -12.298   5.848
  574   1HG2  ILE  73          2HG2      ILE  73  -8.859 -14.497   3.243
  575   2HG2  ILE  73          3HG2      ILE  73  -9.423 -13.049   4.110
  576   3HG2  ILE  73          1HG2      ILE  73  -8.339 -12.882   2.708
  577   1HD1  ILE  73          3HD1      ILE  73  -5.360 -12.128   3.473
  578   2HD1  ILE  73          1HD1      ILE  73  -6.826 -11.210   3.053
  579   3HD1  ILE  73          2HD1      ILE  73  -5.689 -10.568   4.263
  580    H    THR  74           H        THR  74  -6.318 -16.443   4.636
  581    HA   THR  74           HA       THR  74  -8.624 -17.998   3.897
  582    HB   THR  74           HB       THR  74  -7.035 -19.243   2.654
  583    HG1  THR  74          1HG       THR  74  -5.254 -18.275   4.776
  584   1HG2  THR  74          3HG2      THR  74  -6.702 -16.477   2.562
  585   2HG2  THR  74          1HG2      THR  74  -5.058 -17.044   2.944
  586   3HG2  THR  74          2HG2      THR  74  -5.885 -17.630   1.481
  587    H    ALA  75           H        ALA  75  -7.410 -17.390   6.855
  588    HA   ALA  75           HA       ALA  75  -7.067 -20.041   7.840
  589   1HB   ALA  75          3HB       ALA  75  -6.528 -17.436   8.700
  590   2HB   ALA  75          1HB       ALA  75  -7.804 -17.999   9.806
  591   3HB   ALA  75          2HB       ALA  75  -6.294 -18.928   9.642
  592    H    PHE  76           H        PHE  76  -9.758 -18.317   6.711
  593    HA   PHE  76           HA       PHE  76 -11.539 -19.779   8.526
  594   1HB   PHE  76          1HB       PHE  76 -11.447 -17.091   7.243
  595   2HB   PHE  76          2HB       PHE  76 -12.985 -17.888   6.976
  596    HD1  PHE  76          2HD       PHE  76 -13.644 -19.233   9.384
  597    HD2  PHE  76          1HD       PHE  76 -11.606 -15.539   8.929
  598    HE1  PHE  76          2HE       PHE  76 -14.403 -18.532  11.672
  599    HE2  PHE  76          1HE       PHE  76 -12.365 -14.838  11.216
  600    HZ   PHE  76           HZ       PHE  76 -13.755 -16.343  12.560
  601    H    GLU  77           H        GLU  77 -11.187 -21.759   7.221
  602    HA   GLU  77           HA       GLU  77 -11.908 -21.700   4.491
  603   1HB   GLU  77          1HB       GLU  77 -10.732 -23.562   6.349
  604   2HB   GLU  77          2HB       GLU  77 -12.082 -24.365   5.571
  605   1HG   GLU  77          1HG       GLU  77 -11.042 -23.277   3.356
  606   2HG   GLU  77          2HG       GLU  77  -9.581 -23.218   4.320
  607    H    ASP  78           H        ASP  78 -13.736 -21.362   7.280
  608    HA   ASP  78           HA       ASP  78 -15.933 -22.968   6.335
  609   1HB   ASP  78          1HB       ASP  78 -15.041 -22.236   8.860
  610   2HB   ASP  78          2HB       ASP  78 -16.358 -21.106   8.619
  611    H    TYR  79           H        TYR  79 -14.746 -20.359   5.058
  612    HA   TYR  79           HA       TYR  79 -17.307 -19.145   4.521
  613   1HB   TYR  79          1HB       TYR  79 -14.929 -17.855   5.969
  614   2HB   TYR  79          2HB       TYR  79 -16.034 -16.856   5.046
  615    HD1  TYR  79          2HD       TYR  79 -18.388 -16.579   5.773
  616    HD2  TYR  79          1HD       TYR  79 -15.575 -18.810   8.101
  617    HE1  TYR  79          2HE       TYR  79 -19.938 -16.449   7.783
  618    HE2  TYR  79          1HE       TYR  79 -17.135 -18.672  10.104
  619    HH   TYR  79           HH       TYR  79 -19.099 -16.787  10.729
  620    H    VAL  80           H        VAL  80 -13.711 -19.062   4.143
  621    HA   VAL  80           HA       VAL  80 -13.983 -17.836   1.544
  622    HB   VAL  80           HB       VAL  80 -11.639 -18.795   3.189
  623   1HG1  VAL  80          3HG1      VAL  80 -11.765 -17.736   0.377
  624   2HG1  VAL  80          1HG1      VAL  80 -10.364 -17.355   1.408
  625   3HG1  VAL  80          2HG1      VAL  80 -10.775 -19.050   1.053
  626   1HG2  VAL  80          1HG2      VAL  80 -12.880 -16.103   2.627
  627   2HG2  VAL  80          2HG2      VAL  80 -12.455 -16.844   4.188
  628   3HG2  VAL  80          3HG2      VAL  80 -11.172 -16.248   3.108
  629    H    GLN  81           H        GLN  81 -13.987 -18.882  -0.403
  630    HA   GLN  81           HA       GLN  81 -14.107 -21.740  -0.269
  631   1HB   GLN  81          1HB       GLN  81 -15.723 -20.362  -1.622
  632   2HB   GLN  81          2HB       GLN  81 -14.403 -19.881  -2.670
  633   1HG   GLN  81          1HG       GLN  81 -13.994 -22.496  -2.902
  634   2HG   GLN  81          2HG       GLN  81 -15.646 -22.624  -2.335
  635   1HE2  GLN  81          2HE2      GLN  81 -17.202 -21.499  -5.251
  636   2HE2  GLN  81          1HE2      GLN  81 -17.341 -21.916  -3.575
  637    H    SER  82           H        SER  82 -11.949 -19.158  -1.480
  638    HA   SER  82           HA       SER  82  -9.699 -20.655  -1.340
  639   1HB   SER  82          1HB       SER  82  -9.231 -21.038  -3.835
  640   2HB   SER  82          2HB       SER  82 -10.361 -22.143  -3.076
  641    HG   SER  82           HG       SER  82 -11.124 -21.340  -5.150
  642    H    MET  83           H        MET  83  -8.358 -18.933  -0.950
  643    HA   MET  83           HA       MET  83  -8.940 -16.423  -2.162
  644   1HB   MET  83          1HB       MET  83  -8.151 -16.528   0.172
  645   2HB   MET  83          2HB       MET  83  -6.731 -17.441  -0.297
  646   1HG   MET  83          1HG       MET  83  -6.074 -15.408  -1.760
  647   2HG   MET  83          2HG       MET  83  -7.347 -14.525  -0.943
  648   1HE   MET  83          1HE       MET  83  -4.078 -16.162  -0.961
  649   2HE   MET  83          2HE       MET  83  -3.654 -14.446  -0.753
  650   3HE   MET  83          3HE       MET  83  -3.244 -15.625   0.516
  651    H    ASP  84           H        ASP  84  -7.489 -15.176  -3.527
  652    HA   ASP  84           HA       ASP  84  -5.317 -16.694  -4.681
  653   1HB   ASP  84          1HB       ASP  84  -7.732 -15.597  -6.144
  654   2HB   ASP  84          2HB       ASP  84  -6.187 -15.647  -6.970
  655    H    VAL  85           H        VAL  85  -4.434 -14.924  -6.614
  656    HA   VAL  85           HA       VAL  85  -4.208 -12.387  -5.147
  657    HB   VAL  85           HB       VAL  85  -2.185 -13.901  -5.301
  658   1HG1  VAL  85          1HG1      VAL  85  -2.825 -14.302  -7.866
  659   2HG1  VAL  85          2HG1      VAL  85  -1.729 -12.915  -8.082
  660   3HG1  VAL  85          3HG1      VAL  85  -1.147 -14.393  -7.278
  661   1HG2  VAL  85          3HG2      VAL  85  -2.376 -11.218  -5.172
  662   2HG2  VAL  85          1HG2      VAL  85  -0.821 -12.085  -5.175
  663   3HG2  VAL  85          2HG2      VAL  85  -1.446 -11.371  -6.681
  664    H    ALA  86           H        ALA  86  -4.971 -10.594  -6.154
  665    HA   ALA  86           HA       ALA  86  -5.977 -10.924  -8.848
  666   1HB   ALA  86          1HB       ALA  86  -6.675  -9.436  -6.505
  667   2HB   ALA  86          2HB       ALA  86  -6.320  -8.271  -7.803
  668   3HB   ALA  86          3HB       ALA  86  -7.549  -9.533  -8.053
  669    H    ALA  87           H        ALA  87  -3.170  -9.699  -7.176
  670    HA   ALA  87           HA       ALA  87  -1.806  -9.169  -9.541
  671   1HB   ALA  87          2HB       ALA  87  -3.541  -7.197  -9.351
  672   2HB   ALA  87          3HB       ALA  87  -2.412  -6.578  -8.123
  673   3HB   ALA  87          1HB       ALA  87  -1.852  -6.850  -9.790
  674    H    PHE  88           H        PHE  88   0.383  -8.103  -9.029
  675    HA   PHE  88           HA       PHE  88   1.054  -8.065  -6.228
  676   1HB   PHE  88          1HB       PHE  88   1.208 -10.466  -7.683
  677   2HB   PHE  88          2HB       PHE  88   2.817  -9.813  -7.911
  678    HD1  PHE  88          2HD       PHE  88   3.324  -8.520  -5.311
  679    HD2  PHE  88          1HD       PHE  88   1.473 -12.234  -6.201
  680    HE1  PHE  88          2HE       PHE  88   3.999  -9.396  -3.058
  681    HE2  PHE  88          1HE       PHE  88   2.149 -13.110  -3.948
  682    HZ   PHE  88           HZ       PHE  88   3.404 -11.682  -2.403
  683    H    ASN  89           H        ASN  89   1.606  -5.856  -6.660
  684    HA   ASN  89           HA       ASN  89   4.157  -5.662  -8.011
  685   1HB   ASN  89          1HB       ASN  89   1.612  -4.231  -8.749
  686   2HB   ASN  89          2HB       ASN  89   3.073  -3.263  -8.761
  687   1HD2  ASN  89          2HD2      ASN  89   4.709  -5.082 -11.375
  688   2HD2  ASN  89          1HD2      ASN  89   4.981  -4.260  -9.874
  689    H    LYS  90           H        LYS  90   5.017  -3.224  -7.548
  690    HA   LYS  90           HA       LYS  90   4.877  -2.897  -4.717
  691   1HB   LYS  90          1HB       LYS  90   6.967  -2.634  -5.995
  692   2HB   LYS  90          2HB       LYS  90   6.287  -1.262  -6.845
  693   1HG   LYS  90          1HG       LYS  90   6.587   0.154  -5.068
  694   2HG   LYS  90          2HG       LYS  90   6.043  -1.035  -3.901
  695   1HD   LYS  90          1HD       LYS  90   8.180  -1.951  -3.613
  696   2HD   LYS  90          2HD       LYS  90   8.708  -1.508  -5.224
  697   1HE   LYS  90          1HE       LYS  90   9.062   0.782  -4.613
  698   2HE   LYS  90          2HE       LYS  90   8.100   0.636  -3.156
  699   1HZ   LYS  90          2HZ       LYS  90   9.820  -1.000  -2.411
  700   2HZ   LYS  90          3HZ       LYS  90  10.749  -0.509  -3.661
  701   3HZ   LYS  90          1HZ       LYS  90  10.317   0.553  -2.498
  702    H    ILE  91           H        ILE  91   4.521  -0.713  -3.760
  703    HA   ILE  91           HA       ILE  91   2.082   0.493  -4.972
  704    HB   ILE  91           HB       ILE  91   1.704  -0.578  -2.801
  705   1HG1  ILE  91          1HG1      ILE  91   1.705   2.176  -1.808
  706   2HG1  ILE  91          2HG1      ILE  91   1.118   2.080  -3.487
  707   1HG2  ILE  91          1HG2      ILE  91   4.280   0.708  -2.227
  708   2HG2  ILE  91          2HG2      ILE  91   3.066   1.031  -0.965
  709   3HG2  ILE  91          3HG2      ILE  91   3.477  -0.646  -1.395
  710   1HD1  ILE  91          1HD1      ILE  91   0.137   0.192  -1.319
  711   2HD1  ILE  91          2HD1      ILE  91  -0.639   1.764  -1.628
  712   3HD1  ILE  91          3HD1      ILE  91  -0.597   0.526  -2.906
   
  No H/Q in entry =         712
  Start of MODEL   18
    1   1H    MET   1          2HN       MET   1  12.805   1.007   9.655
    2   2H    MET   1          3HN       MET   1  13.182   2.396  10.473
    3   3H    MET   1           H        MET   1  11.933   2.389   9.386
    4    HA   MET   1           HA       MET   1  13.584   3.428   8.252
    5   1HB   MET   1          1HB       MET   1  15.261   1.477   9.787
    6   2HB   MET   1          2HB       MET   1  15.866   2.028   8.206
    7   1HG   MET   1          1HG       MET   1  15.457   4.390   8.947
    8   2HG   MET   1          2HG       MET   1  15.031   3.771  10.552
    9   1HE   MET   1          3HE       MET   1  16.559   5.738  10.979
   10   2HE   MET   1          1HE       MET   1  18.286   5.516  11.349
   11   3HE   MET   1          2HE       MET   1  17.779   5.968   9.704
   12    H    LEU   2           H        LEU   2  11.517   1.415   7.626
   13    HA   LEU   2           HA       LEU   2  12.910  -0.166   5.595
   14   1HB   LEU   2          1HB       LEU   2  10.510  -0.527   7.253
   15   2HB   LEU   2          2HB       LEU   2  10.300  -0.981   5.574
   16    HG   LEU   2           HG       LEU   2  12.675  -2.206   6.136
   17   1HD1  LEU   2          3HD1      LEU   2  11.040  -2.268   8.685
   18   2HD1  LEU   2          1HD1      LEU   2  12.399  -3.356   8.314
   19   3HD1  LEU   2          2HD1      LEU   2  12.679  -1.604   8.472
   20   1HD2  LEU   2          3HD2      LEU   2  10.506  -3.060   5.079
   21   2HD2  LEU   2          1HD2      LEU   2  11.505  -4.230   5.977
   22   3HD2  LEU   2          2HD2      LEU   2  10.040  -3.549   6.726
   23    H    VAL   3           H        VAL   3  12.394   0.009   3.391
   24    HA   VAL   3           HA       VAL   3  10.431   2.044   2.680
   25    HB   VAL   3           HB       VAL   3  13.346   2.048   1.885
   26   1HG1  VAL   3          1HG1      VAL   3  10.955   3.361   0.615
   27   2HG1  VAL   3          2HG1      VAL   3  12.541   4.168   0.581
   28   3HG1  VAL   3          3HG1      VAL   3  12.347   2.556  -0.148
   29   1HG2  VAL   3          2HG2      VAL   3  11.603   4.103   3.285
   30   2HG2  VAL   3          3HG2      VAL   3  12.910   3.139   4.014
   31   3HG2  VAL   3          1HG2      VAL   3  13.289   4.361   2.776
   32    H    ALA   4           H        ALA   4   9.607   1.792   0.508
   33    HA   ALA   4           HA       ALA   4   9.308   0.729  -1.462
   34   1HB   ALA   4          3HB       ALA   4  11.790  -0.063  -1.108
   35   2HB   ALA   4          1HB       ALA   4  11.034  -1.601  -0.628
   36   3HB   ALA   4          2HB       ALA   4  10.743  -0.936  -2.252
   37    H    LYS   5           H        LYS   5   7.182   0.666  -0.342
   38    HA   LYS   5           HA       LYS   5   6.563  -1.878   0.915
   39   1HB   LYS   5          1HB       LYS   5   5.149   0.776   0.682
   40   2HB   LYS   5          2HB       LYS   5   4.286  -0.663   1.184
   41   1HG   LYS   5          1HG       LYS   5   6.904  -0.214   2.554
   42   2HG   LYS   5          2HG       LYS   5   5.671   0.983   2.899
   43   1HD   LYS   5          1HD       LYS   5   4.070  -0.926   3.441
   44   2HD   LYS   5          2HD       LYS   5   5.412  -2.038   3.258
   45   1HE   LYS   5          1HE       LYS   5   5.274  -1.563   5.611
   46   2HE   LYS   5          2HE       LYS   5   6.666  -0.674   5.029
   47   1HZ   LYS   5          2HZ       LYS   5   4.646   1.057   4.677
   48   2HZ   LYS   5          3HZ       LYS   5   4.212   0.315   6.065
   49   3HZ   LYS   5          1HZ       LYS   5   5.665   1.053   5.952
   50    H    SER   6           H        SER   6   4.190  -2.691   0.235
   51    HA   SER   6           HA       SER   6   3.827  -2.426  -2.603
   52   1HB   SER   6          1HB       SER   6   3.664  -5.238  -2.109
   53   2HB   SER   6          2HB       SER   6   4.762  -4.394  -3.183
   54    HG   SER   6           HG       SER   6   5.230  -4.698  -0.341
   55    H    SER   7           H        SER   7   1.636  -2.441  -3.067
   56    HA   SER   7           HA       SER   7  -0.081  -3.244  -0.865
   57   1HB   SER   7          1HB       SER   7  -1.465  -1.895  -3.046
   58   2HB   SER   7          2HB       SER   7  -1.337  -1.427  -1.362
   59    HG   SER   7           HG       SER   7   0.220  -0.024  -1.838
   60    H    ILE   8           H        ILE   8  -0.380  -5.475  -1.172
   61    HA   ILE   8           HA       ILE   8  -0.933  -6.448  -3.834
   62    HB   ILE   8           HB       ILE   8  -0.648  -7.776  -1.141
   63   1HG1  ILE   8          1HG1      ILE   8   1.221  -8.736  -3.022
   64   2HG1  ILE   8          2HG1      ILE   8   1.199  -6.995  -3.229
   65   1HG2  ILE   8          3HG2      ILE   8  -2.321  -8.858  -2.790
   66   2HG2  ILE   8          1HG2      ILE   8  -0.874  -9.280  -3.737
   67   3HG2  ILE   8          2HG2      ILE   8  -1.048  -9.869  -2.067
   68   1HD1  ILE   8          2HD1      ILE   8   1.148  -7.231  -0.463
   69   2HD1  ILE   8          3HD1      ILE   8   2.168  -8.608  -0.945
   70   3HD1  ILE   8          1HD1      ILE   8   2.611  -6.956  -1.439
   71    H    LEU   9           H        LEU   9  -2.914  -7.297  -4.560
   72    HA   LEU   9           HA       LEU   9  -5.183  -6.643  -2.810
   73   1HB   LEU   9          1HB       LEU   9  -4.962  -5.116  -4.710
   74   2HB   LEU   9          2HB       LEU   9  -4.994  -6.470  -5.821
   75    HG   LEU   9           HG       LEU   9  -7.305  -7.019  -4.952
   76   1HD1  LEU   9          3HD1      LEU   9  -6.724  -5.314  -2.913
   77   2HD1  LEU   9          1HD1      LEU   9  -7.699  -4.266  -3.971
   78   3HD1  LEU   9          2HD1      LEU   9  -8.367  -5.809  -3.387
   79   1HD2  LEU   9          2HD2      LEU   9  -6.448  -4.921  -6.750
   80   2HD2  LEU   9          3HD2      LEU   9  -7.800  -6.070  -6.897
   81   3HD2  LEU   9          1HD2      LEU   9  -8.028  -4.535  -6.027
   82    H    LEU  10           H        LEU  10  -5.642  -8.604  -1.875
   83    HA   LEU  10           HA       LEU  10  -5.594 -10.963  -3.562
   84   1HB   LEU  10          1HB       LEU  10  -6.280 -10.771  -0.633
   85   2HB   LEU  10          2HB       LEU  10  -5.829 -12.201  -1.542
   86    HG   LEU  10           HG       LEU  10  -3.566 -11.043  -1.931
   87   1HD1  LEU  10          2HD1      LEU  10  -4.842  -9.169   0.021
   88   2HD1  LEU  10          3HD1      LEU  10  -3.099  -9.502   0.158
   89   3HD1  LEU  10          1HD1      LEU  10  -3.762  -8.835  -1.354
   90   1HD2  LEU  10          1HD2      LEU  10  -4.447 -12.024   0.792
   91   2HD2  LEU  10          2HD2      LEU  10  -3.703 -12.960  -0.526
   92   3HD2  LEU  10          3HD2      LEU  10  -2.749 -11.735   0.345
   93    H    ASP  11           H        ASP  11  -7.371 -11.916  -4.446
   94    HA   ASP  11           HA       ASP  11  -9.885 -10.600  -3.840
   95   1HB   ASP  11          1HB       ASP  11  -8.858 -10.942  -6.248
   96   2HB   ASP  11          2HB       ASP  11  -9.417 -12.595  -6.081
   97    H    VAL  12           H        VAL  12 -10.688 -11.751  -2.013
   98    HA   VAL  12           HA       VAL  12 -10.471 -14.630  -1.967
   99    HB   VAL  12           HB       VAL  12 -11.739 -12.654  -0.059
  100   1HG1  VAL  12          1HG1      VAL  12 -11.570 -15.614  -0.093
  101   2HG1  VAL  12          2HG1      VAL  12 -11.144 -14.832   1.448
  102   3HG1  VAL  12          3HG1      VAL  12 -12.736 -14.535   0.710
  103   1HG2  VAL  12          1HG2      VAL  12  -9.035 -13.043  -0.626
  104   2HG2  VAL  12          2HG2      VAL  12  -9.719 -12.266   0.821
  105   3HG2  VAL  12          3HG2      VAL  12  -9.318 -14.000   0.847
  106    H    LYS  13           H        LYS  13 -12.315 -16.069  -1.855
  107    HA   LYS  13           HA       LYS  13 -14.742 -14.874  -2.998
  108   1HB   LYS  13          1HB       LYS  13 -13.049 -16.482  -4.403
  109   2HB   LYS  13          2HB       LYS  13 -14.123 -17.681  -3.711
  110   1HG   LYS  13          1HG       LYS  13 -15.683 -17.157  -5.267
  111   2HG   LYS  13          2HG       LYS  13 -15.806 -15.547  -4.583
  112   1HD   LYS  13          1HD       LYS  13 -13.995 -14.730  -6.036
  113   2HD   LYS  13          2HD       LYS  13 -13.688 -16.350  -6.632
  114   1HE   LYS  13          1HE       LYS  13 -16.469 -15.911  -7.058
  115   2HE   LYS  13          2HE       LYS  13 -15.688 -14.411  -7.523
  116   1HZ   LYS  13          1HZ       LYS  13 -14.089 -16.282  -8.589
  117   2HZ   LYS  13          2HZ       LYS  13 -15.561 -16.962  -8.773
  118   3HZ   LYS  13          3HZ       LYS  13 -15.262 -15.484  -9.396
  119    HA   PRO  14           HA       PRO  14 -16.467 -16.727   0.534
  120   1HB   PRO  14          1HB       PRO  14 -19.061 -15.967   0.128
  121   2HB   PRO  14          2HB       PRO  14 -17.866 -14.931   0.882
  122   1HG   PRO  14          1HG       PRO  14 -18.984 -14.788  -1.851
  123   2HG   PRO  14          2HG       PRO  14 -18.134 -13.551  -0.946
  124   1HD   PRO  14          1HD       PRO  14 -17.070 -15.157  -3.070
  125   2HD   PRO  14          2HD       PRO  14 -16.191 -14.003  -2.088
  126    H    TRP  15           H        TRP  15 -17.431 -18.623   1.211
  127    HA   TRP  15           HA       TRP  15 -17.580 -20.601  -0.728
  128   1HB   TRP  15          1HB       TRP  15 -18.199 -20.330   2.140
  129   2HB   TRP  15          2HB       TRP  15 -19.098 -21.584   1.311
  130    HD1  TRP  15           HD       TRP  15 -16.138 -21.449   3.279
  131    HE1  TRP  15          1HE       TRP  15 -14.300 -23.258   2.718
  132    HE3  TRP  15          3HE       TRP  15 -17.981 -22.666  -1.302
  133    HZ2  TRP  15          2HZ       TRP  15 -13.834 -24.957   0.472
  134    HZ3  TRP  15          3HZ       TRP  15 -16.775 -24.410  -2.613
  135    HH2  TRP  15           HH       TRP  15 -14.769 -25.542  -1.795
  136    H    ASP  16           H        ASP  16 -19.892 -18.177   0.422
  137    HA   ASP  16           HA       ASP  16 -21.553 -18.577  -1.746
  138   1HB   ASP  16          1HB       ASP  16 -22.037 -20.513   0.181
  139   2HB   ASP  16          2HB       ASP  16 -23.173 -19.267   0.657
  140    H    ASP  17           H        ASP  17 -23.948 -17.473  -0.941
  141    HA   ASP  17           HA       ASP  17 -23.210 -14.885  -0.241
  142   1HB   ASP  17          1HB       ASP  17 -25.411 -14.360  -0.725
  143   2HB   ASP  17          2HB       ASP  17 -25.345 -15.939  -1.484
  144    H    GLU  18           H        GLU  18 -24.013 -17.770   1.578
  145    HA   GLU  18           HA       GLU  18 -25.105 -16.565   3.841
  146   1HB   GLU  18          1HB       GLU  18 -24.982 -18.703   4.826
  147   2HB   GLU  18          2HB       GLU  18 -25.099 -19.059   3.114
  148   1HG   GLU  18          1HG       GLU  18 -22.535 -19.155   3.058
  149   2HG   GLU  18          2HG       GLU  18 -22.560 -19.041   4.806
  150    H    THR  19           H        THR  19 -21.841 -16.797   2.590
  151    HA   THR  19           HA       THR  19 -20.457 -16.580   5.048
  152    HB   THR  19           HB       THR  19 -19.833 -16.084   2.105
  153    HG1  THR  19          1HG       THR  19 -18.764 -18.082   2.515
  154   1HG2  THR  19          3HG2      THR  19 -18.178 -15.469   4.563
  155   2HG2  THR  19          1HG2      THR  19 -17.373 -16.244   3.177
  156   3HG2  THR  19          2HG2      THR  19 -18.169 -14.665   2.975
  157    H    ASP  20           H        ASP  20 -20.734 -14.996   6.489
  158    HA   ASP  20           HA       ASP  20 -21.911 -12.613   5.990
  159   1HB   ASP  20          1HB       ASP  20 -20.510 -13.877   8.147
  160   2HB   ASP  20          2HB       ASP  20 -19.826 -12.271   7.993
  161    H    MET  21           H        MET  21 -21.124 -11.460   4.142
  162    HA   MET  21           HA       MET  21 -18.433 -11.196   3.543
  163   1HB   MET  21          1HB       MET  21 -20.815  -9.386   2.850
  164   2HB   MET  21          2HB       MET  21 -19.274  -9.355   2.015
  165   1HG   MET  21          1HG       MET  21 -20.987 -11.875   2.222
  166   2HG   MET  21          2HG       MET  21 -21.126 -10.741   0.892
  167   1HE   MET  21          3HE       MET  21 -19.302 -10.095  -0.690
  168   2HE   MET  21          1HE       MET  21 -18.267 -11.383  -1.351
  169   3HE   MET  21          2HE       MET  21 -20.033 -11.600  -1.300
  170    H    ALA  22           H        ALA  22 -20.583  -9.392   5.716
  171    HA   ALA  22           HA       ALA  22 -18.976  -7.072   5.900
  172   1HB   ALA  22          2HB       ALA  22 -21.353  -8.261   7.227
  173   2HB   ALA  22          3HB       ALA  22 -20.389  -7.159   8.239
  174   3HB   ALA  22          1HB       ALA  22 -21.057  -6.589   6.690
  175    H    LYS  23           H        LYS  23 -19.144 -10.206   7.661
  176    HA   LYS  23           HA       LYS  23 -17.253  -9.405   9.626
  177   1HB   LYS  23          1HB       LYS  23 -19.113 -11.298   9.598
  178   2HB   LYS  23          2HB       LYS  23 -17.801 -12.278   8.975
  179   1HG   LYS  23          1HG       LYS  23 -17.021 -12.519  11.089
  180   2HG   LYS  23          2HG       LYS  23 -16.668 -10.804  11.127
  181   1HD   LYS  23          1HD       LYS  23 -19.266 -10.575  11.671
  182   2HD   LYS  23          2HD       LYS  23 -19.121 -12.254  12.148
  183   1HE   LYS  23          1HE       LYS  23 -18.266 -11.592  14.141
  184   2HE   LYS  23          2HE       LYS  23 -16.875 -10.930  13.307
  185   1HZ   LYS  23          3HZ       LYS  23 -18.668  -9.040  12.873
  186   2HZ   LYS  23          1HZ       LYS  23 -19.192  -9.578  14.324
  187   3HZ   LYS  23          2HZ       LYS  23 -17.659  -9.039  14.157
  188    H    LEU  24           H        LEU  24 -17.117 -11.479   6.652
  189    HA   LEU  24           HA       LEU  24 -14.423 -12.088   6.832
  190   1HB   LEU  24          1HB       LEU  24 -16.533 -12.621   5.126
  191   2HB   LEU  24          2HB       LEU  24 -15.422 -11.724   4.111
  192    HG   LEU  24           HG       LEU  24 -14.495 -14.080   5.753
  193   1HD1  LEU  24          1HD1      LEU  24 -15.986 -14.082   3.149
  194   2HD1  LEU  24          2HD1      LEU  24 -14.734 -15.308   3.461
  195   3HD1  LEU  24          3HD1      LEU  24 -16.135 -15.169   4.550
  196   1HD2  LEU  24          2HD2      LEU  24 -13.244 -12.215   3.965
  197   2HD2  LEU  24          3HD2      LEU  24 -12.517 -13.535   4.914
  198   3HD2  LEU  24          1HD2      LEU  24 -13.146 -13.855   3.279
  199    H    GLU  25           H        GLU  25 -16.115  -9.228   5.454
  200    HA   GLU  25           HA       GLU  25 -13.740  -8.144   4.396
  201   1HB   GLU  25          1HB       GLU  25 -16.126  -7.647   3.639
  202   2HB   GLU  25          2HB       GLU  25 -16.318  -6.672   5.083
  203   1HG   GLU  25          1HG       GLU  25 -13.963  -5.637   4.137
  204   2HG   GLU  25          2HG       GLU  25 -14.698  -6.129   2.624
  205    H    GLU  26           H        GLU  26 -15.706  -7.558   7.380
  206    HA   GLU  26           HA       GLU  26 -14.151  -5.467   8.313
  207   1HB   GLU  26          1HB       GLU  26 -16.028  -7.450   9.623
  208   2HB   GLU  26          2HB       GLU  26 -15.143  -6.303  10.608
  209   1HG   GLU  26          1HG       GLU  26 -16.847  -5.478   8.213
  210   2HG   GLU  26          2HG       GLU  26 -17.466  -5.538   9.851
  211    H    CYS  27           H        CYS  27 -14.174  -8.952   9.382
  212    HA   CYS  27           HA       CYS  27 -12.083  -8.865  11.086
  213   1HB   CYS  27          1HB       CYS  27 -13.643 -10.835  10.326
  214   2HB   CYS  27          2HB       CYS  27 -12.344 -11.203   9.207
  215    HG   CYS  27           HG       CYS  27 -10.937 -12.328  10.733
  216    H    VAL  28           H        VAL  28 -12.028  -9.299   7.485
  217    HA   VAL  28           HA       VAL  28  -9.396  -9.742   7.057
  218    HB   VAL  28           HB       VAL  28 -11.615  -8.450   5.603
  219   1HG1  VAL  28          2HG1      VAL  28  -8.761  -7.717   5.106
  220   2HG1  VAL  28          3HG1      VAL  28  -9.795  -8.038   3.694
  221   3HG1  VAL  28          1HG1      VAL  28 -10.250  -6.772   4.859
  222   1HG2  VAL  28          1HG2      VAL  28 -10.575 -10.935   5.637
  223   2HG2  VAL  28          2HG2      VAL  28 -11.423 -10.253   4.229
  224   3HG2  VAL  28          3HG2      VAL  28  -9.644 -10.248   4.285
  225    H    ARG  29           H        ARG  29 -11.002  -6.581   7.739
  226    HA   ARG  29           HA       ARG  29  -8.622  -5.137   7.428
  227   1HB   ARG  29          1HB       ARG  29 -11.394  -4.586   7.931
  228   2HB   ARG  29          2HB       ARG  29 -10.496  -3.811   9.222
  229   1HG   ARG  29          1HG       ARG  29  -9.044  -2.672   7.548
  230   2HG   ARG  29          2HG       ARG  29  -9.896  -3.475   6.244
  231   1HD   ARG  29          1HD       ARG  29 -10.848  -1.256   6.446
  232   2HD   ARG  29          2HD       ARG  29 -12.047  -2.379   7.056
  233    HE   ARG  29           HE       ARG  29 -10.475  -0.448   8.646
  234   1HH1  ARG  29          2HH2      ARG  29 -12.616  -3.242   8.682
  235   2HH1  ARG  29          1HH2      ARG  29 -13.105  -3.005  10.327
  236   1HH2  ARG  29          2HH1      ARG  29 -11.119  -0.138  10.816
  237   2HH2  ARG  29          1HH1      ARG  29 -12.249  -1.229  11.549
  238    H    SER  30           H        SER  30 -10.434  -6.505  10.240
  239    HA   SER  30           HA       SER  30  -9.074  -5.383  12.279
  240   1HB   SER  30          1HB       SER  30  -9.972  -7.076  13.626
  241   2HB   SER  30          2HB       SER  30 -11.038  -7.116  12.237
  242    HG   SER  30           HG       SER  30  -9.340  -9.074  13.196
  243    H    ILE  31           H        ILE  31  -7.927  -7.695   9.895
  244    HA   ILE  31           HA       ILE  31  -5.907  -8.957  11.288
  245    HB   ILE  31           HB       ILE  31  -6.041  -8.124   8.388
  246   1HG1  ILE  31          1HG1      ILE  31  -6.899 -10.669   9.795
  247   2HG1  ILE  31          2HG1      ILE  31  -7.955  -9.471   9.071
  248   1HG2  ILE  31          2HG2      ILE  31  -3.755  -8.826   9.483
  249   2HG2  ILE  31          3HG2      ILE  31  -4.445 -10.462   9.362
  250   3HG2  ILE  31          1HG2      ILE  31  -4.247  -9.468   7.898
  251   1HD1  ILE  31          1HD1      ILE  31  -5.831 -11.036   7.532
  252   2HD1  ILE  31          2HD1      ILE  31  -7.561 -11.454   7.581
  253   3HD1  ILE  31          3HD1      ILE  31  -7.037  -9.923   6.838
  254    H    GLN  32           H        GLN  32  -3.965  -8.346  12.119
  255    HA   GLN  32           HA       GLN  32  -2.938  -5.780  11.212
  256   1HB   GLN  32          1HB       GLN  32  -4.189  -5.661  13.467
  257   2HB   GLN  32          2HB       GLN  32  -2.890  -6.630  14.134
  258   1HG   GLN  32          1HG       GLN  32  -1.827  -4.647  14.503
  259   2HG   GLN  32          2HG       GLN  32  -1.466  -4.669  12.788
  260   1HE2  GLN  32          1HE2      GLN  32  -2.103  -2.538  14.845
  261   2HE2  GLN  32          2HE2      GLN  32  -3.318  -1.542  14.116
  262    H    ALA  33           H        ALA  33  -0.673  -5.676  11.012
  263    HA   ALA  33           HA       ALA  33   0.972  -7.698  12.193
  264   1HB   ALA  33          3HB       ALA  33  -0.190  -8.669  10.033
  265   2HB   ALA  33          1HB       ALA  33   1.003  -7.661   9.179
  266   3HB   ALA  33          2HB       ALA  33   1.550  -8.930  10.301
  267    H    ASP  34           H        ASP  34   3.281  -7.222  11.837
  268    HA   ASP  34           HA       ASP  34   3.736  -4.493  11.891
  269   1HB   ASP  34          1HB       ASP  34   5.143  -6.679  12.653
  270   2HB   ASP  34          2HB       ASP  34   5.953  -6.385  11.127
  271    H    GLY  35           H        GLY  35   4.327  -3.034  10.230
  272   1HA   GLY  35          1HA       GLY  35   4.865  -2.265   8.182
  273   2HA   GLY  35          2HA       GLY  35   5.499  -3.849   7.778
  274    H    LEU  36           H        LEU  36   2.297  -4.137   8.966
  275    HA   LEU  36           HA       LEU  36   1.330  -4.389   6.214
  276   1HB   LEU  36          1HB       LEU  36   1.289  -6.410   7.571
  277   2HB   LEU  36          2HB       LEU  36   0.338  -5.598   8.798
  278    HG   LEU  36           HG       LEU  36  -1.123  -5.281   6.414
  279   1HD1  LEU  36          3HD1      LEU  36   0.588  -7.450   6.024
  280   2HD1  LEU  36          1HD1      LEU  36  -0.968  -8.178   6.491
  281   3HD1  LEU  36          2HD1      LEU  36  -0.887  -7.063   5.106
  282   1HD2  LEU  36          2HD2      LEU  36  -1.395  -6.807   8.965
  283   2HD2  LEU  36          3HD2      LEU  36  -2.410  -5.513   8.281
  284   3HD2  LEU  36          1HD2      LEU  36  -2.529  -7.169   7.640
  285    H    VAL  37           H        VAL  37   0.126  -2.754   5.431
  286    HA   VAL  37           HA       VAL  37  -1.480  -1.255   7.386
  287    HB   VAL  37           HB       VAL  37   0.356  -0.365   5.212
  288   1HG1  VAL  37          1HG1      VAL  37  -2.297   0.914   5.861
  289   2HG1  VAL  37          2HG1      VAL  37  -0.912   1.900   5.334
  290   3HG1  VAL  37          3HG1      VAL  37  -1.544   0.615   4.275
  291   1HG2  VAL  37          3HG2      VAL  37  -0.396   0.720   7.947
  292   2HG2  VAL  37          1HG2      VAL  37   1.087  -0.164   7.515
  293   3HG2  VAL  37          2HG2      VAL  37   0.794   1.459   6.848
  294    H    TRP  38           H        TRP  38  -3.634  -0.951   6.883
  295    HA   TRP  38           HA       TRP  38  -4.555  -2.406   4.534
  296   1HB   TRP  38          1HB       TRP  38  -5.813  -1.501   7.100
  297   2HB   TRP  38          2HB       TRP  38  -6.820  -1.856   5.711
  298    HD1  TRP  38           HD       TRP  38  -5.702  -3.582   8.659
  299    HE1  TRP  38          1HE       TRP  38  -5.627  -6.212   8.463
  300    HE3  TRP  38          3HE       TRP  38  -5.919  -3.734   3.582
  301    HZ2  TRP  38          2HZ       TRP  38  -5.667  -8.021   6.256
  302    HZ3  TRP  38          3HZ       TRP  38  -5.897  -5.972   2.485
  303    HH2  TRP  38           HH       TRP  38  -5.776  -8.068   3.736
  304    H    GLY  39           H        GLY  39  -5.035  -1.301   2.685
  305   1HA   GLY  39          1HA       GLY  39  -5.097   1.606   2.767
  306   2HA   GLY  39          2HA       GLY  39  -5.055   0.572   1.352
  307    H    SER  40           H        SER  40  -7.014  -0.314   0.478
  308    HA   SER  40           HA       SER  40  -9.453   0.305   1.842
  309   1HB   SER  40          1HB       SER  40  -8.431   1.994  -0.314
  310   2HB   SER  40          2HB       SER  40  -9.954   1.263  -0.781
  311    HG   SER  40           HG       SER  40  -9.907   2.271   1.849
  312    H    SER  41           H        SER  41 -10.961  -1.300   1.406
  313    HA   SER  41           HA       SER  41 -10.127  -3.291  -0.488
  314   1HB   SER  41          1HB       SER  41 -11.940  -4.655   0.508
  315   2HB   SER  41          2HB       SER  41 -10.875  -4.009   1.741
  316    HG   SER  41           HG       SER  41 -12.515  -2.939   2.602
  317    H    LYS  42           H        LYS  42 -11.844  -4.280  -1.987
  318    HA   LYS  42           HA       LYS  42 -13.759  -2.236  -2.852
  319   1HB   LYS  42          1HB       LYS  42 -12.353  -3.923  -4.890
  320   2HB   LYS  42          2HB       LYS  42 -13.110  -2.352  -5.067
  321   1HG   LYS  42          1HG       LYS  42 -11.138  -1.766  -3.226
  322   2HG   LYS  42          2HG       LYS  42 -10.357  -3.036  -4.145
  323   1HD   LYS  42          1HD       LYS  42 -11.689  -0.611  -5.436
  324   2HD   LYS  42          2HD       LYS  42  -9.984  -0.672  -5.036
  325   1HE   LYS  42          1HE       LYS  42 -10.655  -3.089  -6.481
  326   2HE   LYS  42          2HE       LYS  42 -11.299  -1.725  -7.372
  327   1HZ   LYS  42          2HZ       LYS  42  -9.028  -0.711  -6.996
  328   2HZ   LYS  42          3HZ       LYS  42  -8.526  -2.213  -6.592
  329   3HZ   LYS  42          1HZ       LYS  42  -9.129  -1.926  -8.082
  330    H    LEU  43           H        LEU  43 -15.645  -3.116  -3.999
  331    HA   LEU  43           HA       LEU  43 -16.045  -5.961  -3.389
  332   1HB   LEU  43          1HB       LEU  43 -17.585  -3.593  -2.564
  333   2HB   LEU  43          2HB       LEU  43 -18.551  -4.887  -3.246
  334    HG   LEU  43           HG       LEU  43 -18.442  -5.052  -0.821
  335   1HD1  LEU  43          3HD1      LEU  43 -17.678  -7.144  -2.652
  336   2HD1  LEU  43          1HD1      LEU  43 -16.933  -7.415  -1.058
  337   3HD1  LEU  43          2HD1      LEU  43 -18.698  -7.224  -1.195
  338   1HD2  LEU  43          1HD2      LEU  43 -15.893  -4.118  -1.007
  339   2HD2  LEU  43          2HD2      LEU  43 -16.593  -4.882   0.440
  340   3HD2  LEU  43          3HD2      LEU  43 -15.605  -5.845  -0.686
  341    H    VAL  44           H        VAL  44 -17.362  -7.138  -4.889
  342    HA   VAL  44           HA       VAL  44 -18.264  -5.732  -7.244
  343    HB   VAL  44           HB       VAL  44 -15.804  -7.381  -7.143
  344   1HG1  VAL  44          2HG1      VAL  44 -17.963  -7.769  -9.208
  345   2HG1  VAL  44          3HG1      VAL  44 -16.247  -7.926  -9.655
  346   3HG1  VAL  44          1HG1      VAL  44 -16.939  -8.979  -8.398
  347   1HG2  VAL  44          3HG2      VAL  44 -15.738  -4.976  -7.621
  348   2HG2  VAL  44          1HG2      VAL  44 -15.164  -5.924  -9.015
  349   3HG2  VAL  44          2HG2      VAL  44 -16.799  -5.218  -9.030
  350    HA   PRO  45           HA       PRO  45 -21.174  -8.909  -6.742
  351   1HB   PRO  45          1HB       PRO  45 -22.739  -8.395  -8.923
  352   2HB   PRO  45          2HB       PRO  45 -22.892  -7.528  -7.408
  353   1HG   PRO  45          1HG       PRO  45 -21.683  -6.622  -9.949
  354   2HG   PRO  45          2HG       PRO  45 -22.225  -5.661  -8.587
  355   1HD   PRO  45          1HD       PRO  45 -19.513  -6.315  -9.258
  356   2HD   PRO  45          2HD       PRO  45 -20.062  -5.453  -7.833
  357    H    VAL  46           H        VAL  46 -21.430 -11.047  -7.181
  358    HA   VAL  46           HA       VAL  46 -20.708 -11.928  -9.823
  359    HB   VAL  46           HB       VAL  46 -18.967 -12.370  -7.421
  360   1HG1  VAL  46          2HG1      VAL  46 -19.781 -14.413  -9.350
  361   2HG1  VAL  46          3HG1      VAL  46 -18.019 -14.158  -9.323
  362   3HG1  VAL  46          1HG1      VAL  46 -18.882 -14.573  -7.822
  363   1HG2  VAL  46          1HG2      VAL  46 -18.686 -11.317 -10.186
  364   2HG2  VAL  46          2HG2      VAL  46 -17.871 -10.830  -8.680
  365   3HG2  VAL  46          3HG2      VAL  46 -17.322 -12.275  -9.563
  366    H    GLY  47           H        GLY  47 -22.071 -13.559 -10.360
  367   1HA   GLY  47          1HA       GLY  47 -23.323 -15.440 -10.103
  368   2HA   GLY  47          2HA       GLY  47 -22.870 -15.527  -8.413
  369    H    TYR  48           H        TYR  48 -24.992 -15.897  -7.622
  370    HA   TYR  48           HA       TYR  48 -26.820 -13.619  -7.988
  371   1HB   TYR  48          1HB       TYR  48 -27.031 -16.456  -8.461
  372   2HB   TYR  48          2HB       TYR  48 -27.944 -16.167  -6.994
  373    HD1  TYR  48          1HD       TYR  48 -29.795 -14.380  -7.056
  374    HD2  TYR  48          2HD       TYR  48 -27.958 -15.967 -10.578
  375    HE1  TYR  48          1HE       TYR  48 -31.772 -13.594  -8.449
  376    HE2  TYR  48          2HE       TYR  48 -29.940 -15.177 -11.960
  377    HH   TYR  48           HH       TYR  48 -31.855 -14.190 -11.955
  378    H    GLY  49           H        GLY  49 -26.658 -12.353  -6.188
  379   1HA   GLY  49          1HA       GLY  49 -27.066 -11.826  -4.013
  380   2HA   GLY  49          2HA       GLY  49 -27.337 -13.517  -3.640
  381    H    ILE  50           H        ILE  50 -24.469 -13.453  -5.379
  382    HA   ILE  50           HA       ILE  50 -22.932 -13.430  -2.887
  383    HB   ILE  50           HB       ILE  50 -22.654 -14.862  -5.503
  384   1HG1  ILE  50          1HG1      ILE  50 -22.058 -16.249  -2.992
  385   2HG1  ILE  50          2HG1      ILE  50 -23.672 -15.566  -3.020
  386   1HG2  ILE  50          3HG2      ILE  50 -20.437 -14.449  -3.479
  387   2HG2  ILE  50          1HG2      ILE  50 -20.401 -15.591  -4.843
  388   3HG2  ILE  50          2HG2      ILE  50 -20.478 -13.840  -5.151
  389   1HD1  ILE  50          3HD1      ILE  50 -22.517 -17.281  -5.266
  390   2HD1  ILE  50          1HD1      ILE  50 -23.555 -17.901  -3.960
  391   3HD1  ILE  50          2HD1      ILE  50 -24.197 -16.712  -5.118
  392    H    LYS  51           H        LYS  51 -20.649 -12.564  -3.067
  393    HA   LYS  51           HA       LYS  51 -20.342 -10.551  -5.135
  394   1HB   LYS  51          1HB       LYS  51 -20.664  -9.933  -2.200
  395   2HB   LYS  51          2HB       LYS  51 -19.716  -8.892  -3.244
  396   1HG   LYS  51          1HG       LYS  51 -21.682  -7.879  -3.781
  397   2HG   LYS  51          2HG       LYS  51 -22.015  -9.291  -4.764
  398   1HD   LYS  51          1HD       LYS  51 -23.762  -9.827  -3.428
  399   2HD   LYS  51          2HD       LYS  51 -22.679  -9.989  -2.059
  400   1HE   LYS  51          1HE       LYS  51 -22.825  -7.488  -1.696
  401   2HE   LYS  51          2HE       LYS  51 -23.987  -7.393  -3.004
  402   1HZ   LYS  51          2HZ       LYS  51 -24.703  -9.390  -1.147
  403   2HZ   LYS  51          3HZ       LYS  51 -24.533  -7.946  -0.404
  404   3HZ   LYS  51          1HZ       LYS  51 -25.565  -8.102  -1.660
  405    H    LYS  52           H        LYS  52 -18.066  -9.502  -4.887
  406    HA   LYS  52           HA       LYS  52 -16.251 -11.710  -4.337
  407   1HB   LYS  52          1HB       LYS  52 -16.452  -9.778  -6.384
  408   2HB   LYS  52          2HB       LYS  52 -15.013  -9.356  -5.478
  409   1HG   LYS  52          1HG       LYS  52 -14.307 -11.812  -5.624
  410   2HG   LYS  52          2HG       LYS  52 -15.658 -12.074  -6.710
  411   1HD   LYS  52          1HD       LYS  52 -14.723 -10.227  -8.202
  412   2HD   LYS  52          2HD       LYS  52 -13.313 -10.171  -7.162
  413   1HE   LYS  52          1HE       LYS  52 -12.516 -11.703  -8.699
  414   2HE   LYS  52          2HE       LYS  52 -13.319 -12.832  -7.627
  415   1HZ   LYS  52          2HZ       LYS  52 -14.762 -11.601  -9.851
  416   2HZ   LYS  52          3HZ       LYS  52 -13.854 -12.939 -10.076
  417   3HZ   LYS  52          1HZ       LYS  52 -15.120 -12.975  -9.045
  418    H    LEU  53           H        LEU  53 -14.697 -11.681  -2.741
  419    HA   LEU  53           HA       LEU  53 -14.870  -9.393  -0.922
  420   1HB   LEU  53          1HB       LEU  53 -14.945 -12.199  -0.545
  421   2HB   LEU  53          2HB       LEU  53 -13.441 -11.632   0.153
  422    HG   LEU  53           HG       LEU  53 -15.497 -11.769   1.670
  423   1HD1  LEU  53          2HD1      LEU  53 -13.479  -9.621   1.460
  424   2HD1  LEU  53          3HD1      LEU  53 -14.867  -9.274   2.520
  425   3HD1  LEU  53          1HD1      LEU  53 -13.866 -10.717   2.807
  426   1HD2  LEU  53          3HD2      LEU  53 -16.893 -10.531  -0.159
  427   2HD2  LEU  53          1HD2      LEU  53 -17.195 -10.214   1.565
  428   3HD2  LEU  53          2HD2      LEU  53 -16.236  -9.064   0.605
  429    H    GLN  54           H        GLN  54 -13.521  -8.267  -2.675
  430    HA   GLN  54           HA       GLN  54 -10.761  -9.133  -2.564
  431   1HB   GLN  54          1HB       GLN  54 -11.459  -8.698  -4.801
  432   2HB   GLN  54          2HB       GLN  54 -12.303  -7.230  -4.352
  433   1HG   GLN  54          1HG       GLN  54 -10.251  -6.022  -4.004
  434   2HG   GLN  54          2HG       GLN  54  -9.294  -7.490  -3.981
  435   1HE2  GLN  54          2HE2      GLN  54  -9.204  -7.986  -7.490
  436   2HE2  GLN  54          1HE2      GLN  54  -9.168  -8.765  -5.944
  437    H    ILE  55           H        ILE  55  -9.082  -7.835  -1.707
  438    HA   ILE  55           HA       ILE  55  -9.755  -5.211  -0.709
  439    HB   ILE  55           HB       ILE  55  -9.598  -5.584   1.519
  440   1HG1  ILE  55          1HG1      ILE  55  -7.350  -6.690   1.322
  441   2HG1  ILE  55          2HG1      ILE  55  -8.356  -7.268   2.636
  442   1HG2  ILE  55          1HG2      ILE  55 -10.694  -8.212   0.484
  443   2HG2  ILE  55          2HG2      ILE  55 -10.902  -7.589   2.138
  444   3HG2  ILE  55          3HG2      ILE  55 -11.602  -6.707   0.760
  445   1HD1  ILE  55          1HD1      ILE  55  -8.108  -8.630  -0.087
  446   2HD1  ILE  55          2HD1      ILE  55  -7.267  -9.141   1.397
  447   3HD1  ILE  55          3HD1      ILE  55  -9.042  -9.232   1.304
  448    H    GLN  56           H        GLN  56  -7.841  -3.959  -0.173
  449    HA   GLN  56           HA       GLN  56  -5.445  -5.218  -1.266
  450   1HB   GLN  56          1HB       GLN  56  -6.451  -3.371  -2.672
  451   2HB   GLN  56          2HB       GLN  56  -6.173  -2.257  -1.347
  452   1HG   GLN  56          1HG       GLN  56  -3.816  -2.385  -1.551
  453   2HG   GLN  56          2HG       GLN  56  -3.868  -3.931  -2.376
  454   1HE2  GLN  56          2HE2      GLN  56  -3.220  -2.208  -5.332
  455   2HE2  GLN  56          1HE2      GLN  56  -2.680  -3.316  -4.114
  456    H    CYS  57           H        CYS  57  -3.459  -4.907  -0.156
  457    HA   CYS  57           HA       CYS  57  -3.781  -3.641   2.468
  458   1HB   CYS  57          1HB       CYS  57  -3.211  -6.292   2.001
  459   2HB   CYS  57          2HB       CYS  57  -1.606  -5.615   2.188
  460    HG   CYS  57           HG       CYS  57  -1.662  -4.991   4.515
  461    H    VAL  58           H        VAL  58  -1.013  -3.615   3.153
  462    HA   VAL  58           HA       VAL  58   0.400  -2.377   0.961
  463    HB   VAL  58           HB       VAL  58  -0.426  -0.840   3.430
  464   1HG1  VAL  58          2HG1      VAL  58   2.009  -0.649   2.120
  465   2HG1  VAL  58          3HG1      VAL  58   1.034   0.634   1.363
  466   3HG1  VAL  58          1HG1      VAL  58   1.257   0.611   3.129
  467   1HG2  VAL  58          1HG2      VAL  58  -1.130  -0.626   0.501
  468   2HG2  VAL  58          2HG2      VAL  58  -2.212  -0.714   1.912
  469   3HG2  VAL  58          3HG2      VAL  58  -1.274   0.766   1.601
  470    H    VAL  59           H        VAL  59   1.212  -4.695   1.793
  471    HA   VAL  59           HA       VAL  59   2.831  -4.476   4.172
  472    HB   VAL  59           HB       VAL  59   3.163  -6.767   3.952
  473   1HG1  VAL  59          3HG1      VAL  59   0.760  -6.035   4.325
  474   2HG1  VAL  59          1HG1      VAL  59   0.466  -6.427   2.615
  475   3HG1  VAL  59          2HG1      VAL  59   0.985  -7.702   3.743
  476   1HG2  VAL  59          3HG2      VAL  59   3.992  -6.697   1.605
  477   2HG2  VAL  59          1HG2      VAL  59   2.900  -8.066   1.925
  478   3HG2  VAL  59          2HG2      VAL  59   2.304  -6.640   1.043
  479    H    GLU  60           H        GLU  60   5.205  -5.113   4.053
  480    HA   GLU  60           HA       GLU  60   6.383  -3.489   2.010
  481   1HB   GLU  60          1HB       GLU  60   7.009  -4.163   4.692
  482   2HB   GLU  60          2HB       GLU  60   8.290  -4.878   3.733
  483   1HG   GLU  60          1HG       GLU  60   7.393  -2.002   3.289
  484   2HG   GLU  60          2HG       GLU  60   8.587  -2.408   4.506
  485    H    ASP  61           H        ASP  61   8.131  -4.227   0.583
  486    HA   ASP  61           HA       ASP  61   7.559  -6.836  -0.389
  487   1HB   ASP  61          1HB       ASP  61   8.330  -4.531  -1.593
  488   2HB   ASP  61          2HB       ASP  61   9.916  -5.242  -1.375
  489    H    ASP  62           H        ASP  62   9.260  -5.844   2.232
  490    HA   ASP  62           HA       ASP  62  11.133  -8.027   1.961
  491   1HB   ASP  62          1HB       ASP  62  12.297  -5.822   1.401
  492   2HB   ASP  62          2HB       ASP  62  11.935  -5.280   3.028
  493    H    LYS  63           H        LYS  63   8.524  -7.385   3.395
  494    HA   LYS  63           HA       LYS  63   9.511  -7.837   6.116
  495   1HB   LYS  63          1HB       LYS  63   8.808  -5.483   5.921
  496   2HB   LYS  63          2HB       LYS  63   7.230  -5.989   5.354
  497   1HG   LYS  63          1HG       LYS  63   6.632  -5.947   7.557
  498   2HG   LYS  63          2HG       LYS  63   7.454  -7.492   7.660
  499   1HD   LYS  63          1HD       LYS  63   9.405  -5.333   7.847
  500   2HD   LYS  63          2HD       LYS  63   8.126  -5.070   9.015
  501   1HE   LYS  63          1HE       LYS  63   8.709  -6.908  10.272
  502   2HE   LYS  63          2HE       LYS  63   9.059  -7.891   8.865
  503   1HZ   LYS  63          2HZ       LYS  63  10.815  -5.711   9.741
  504   2HZ   LYS  63          3HZ       LYS  63  11.001  -7.256  10.239
  505   3HZ   LYS  63          1HZ       LYS  63  11.153  -6.884   8.656
  506    H    VAL  64           H        VAL  64   6.109  -7.496   5.108
  507    HA   VAL  64           HA       VAL  64   5.831 -10.384   5.555
  508    HB   VAL  64           HB       VAL  64   3.913  -8.081   5.944
  509   1HG1  VAL  64          1HG1      VAL  64   3.448 -11.069   6.196
  510   2HG1  VAL  64          2HG1      VAL  64   2.358  -9.826   6.855
  511   3HG1  VAL  64          3HG1      VAL  64   2.630  -9.932   5.099
  512   1HG2  VAL  64          3HG2      VAL  64   5.786  -8.579   7.650
  513   2HG2  VAL  64          1HG2      VAL  64   4.117  -8.439   8.254
  514   3HG2  VAL  64          2HG2      VAL  64   4.852 -10.045   8.036
  515    H    GLY  65           H        GLY  65   3.942 -11.377   4.277
  516   1HA   GLY  65          1HA       GLY  65   3.702 -10.112   1.622
  517   2HA   GLY  65          2HA       GLY  65   4.214 -11.781   1.781
  518    H    THR  66           H        THR  66   2.245 -12.258   0.459
  519    HA   THR  66           HA       THR  66  -0.320 -11.776   1.644
  520    HB   THR  66           HB       THR  66   0.853 -12.967  -0.843
  521    HG1  THR  66          1HG       THR  66  -1.260 -11.743  -1.453
  522   1HG2  THR  66          2HG2      THR  66  -1.929 -13.692   0.221
  523   2HG2  THR  66          3HG2      THR  66  -1.402 -13.906  -1.466
  524   3HG2  THR  66          1HG2      THR  66  -0.625 -14.842  -0.166
  525    H    ASP  67           H        ASP  67   2.111 -14.356   1.732
  526    HA   ASP  67           HA       ASP  67   0.776 -16.531   2.330
  527   1HB   ASP  67          1HB       ASP  67   2.603 -16.717   4.325
  528   2HB   ASP  67          2HB       ASP  67   3.027 -16.896   2.634
  529    H    MET  68           H        MET  68   1.996 -14.514   5.103
  530    HA   MET  68           HA       MET  68   0.503 -15.476   7.055
  531   1HB   MET  68          1HB       MET  68   2.163 -13.323   6.757
  532   2HB   MET  68          2HB       MET  68   0.644 -12.461   6.898
  533   1HG   MET  68          1HG       MET  68   1.641 -14.539   8.908
  534   2HG   MET  68          2HG       MET  68   1.801 -12.807   9.114
  535   1HE   MET  68          3HE       MET  68  -0.146 -11.177   8.965
  536   2HE   MET  68          1HE       MET  68  -1.169 -11.908   7.704
  537   3HE   MET  68          2HE       MET  68  -1.848 -11.565   9.314
  538    H    LEU  69           H        LEU  69  -0.548 -12.676   4.978
  539    HA   LEU  69           HA       LEU  69  -3.022 -12.301   6.078
  540   1HB   LEU  69          1HB       LEU  69  -1.884 -11.892   3.337
  541   2HB   LEU  69          2HB       LEU  69  -3.586 -11.590   3.628
  542    HG   LEU  69           HG       LEU  69  -1.280 -10.252   5.073
  543   1HD1  LEU  69          1HD1      LEU  69  -1.731  -9.692   2.598
  544   2HD1  LEU  69          2HD1      LEU  69  -3.209  -8.902   3.196
  545   3HD1  LEU  69          3HD1      LEU  69  -1.615  -8.353   3.765
  546   1HD2  LEU  69          2HD2      LEU  69  -3.984 -10.570   5.871
  547   2HD2  LEU  69          3HD2      LEU  69  -2.712  -9.578   6.624
  548   3HD2  LEU  69          1HD2      LEU  69  -3.768  -8.874   5.377
  549    H    GLU  70           H        GLU  70  -2.237 -14.388   3.204
  550    HA   GLU  70           HA       GLU  70  -4.726 -15.399   2.853
  551   1HB   GLU  70          1HB       GLU  70  -2.916 -15.800   1.269
  552   2HB   GLU  70          2HB       GLU  70  -2.010 -16.722   2.452
  553   1HG   GLU  70          1HG       GLU  70  -4.092 -18.300   2.546
  554   2HG   GLU  70          2HG       GLU  70  -4.612 -17.494   1.077
  555    H    GLU  71           H        GLU  71  -2.068 -16.750   4.930
  556    HA   GLU  71           HA       GLU  71  -3.605 -18.883   5.846
  557   1HB   GLU  71          1HB       GLU  71  -1.063 -17.527   6.760
  558   2HB   GLU  71          2HB       GLU  71  -1.800 -18.738   7.789
  559   1HG   GLU  71          1HG       GLU  71  -0.105 -19.736   6.255
  560   2HG   GLU  71          2HG       GLU  71  -1.700 -20.413   5.991
  561    H    GLN  72           H        GLN  72  -3.930 -15.548   6.389
  562    HA   GLN  72           HA       GLN  72  -4.949 -15.936   9.074
  563   1HB   GLN  72          1HB       GLN  72  -3.413 -14.034   8.691
  564   2HB   GLN  72          2HB       GLN  72  -4.477 -13.393   7.456
  565   1HG   GLN  72          1HG       GLN  72  -5.778 -12.373   9.011
  566   2HG   GLN  72          2HG       GLN  72  -6.014 -13.878   9.877
  567   1HE2  GLN  72          2HE2      GLN  72  -4.466 -11.754  12.355
  568   2HE2  GLN  72          1HE2      GLN  72  -5.974 -12.024  11.548
  569    H    ILE  73           H        ILE  73  -5.928 -14.591   5.848
  570    HA   ILE  73           HA       ILE  73  -8.649 -14.322   6.676
  571    HB   ILE  73           HB       ILE  73  -7.481 -14.219   3.896
  572   1HG1  ILE  73          1HG1      ILE  73  -7.967 -11.659   5.228
  573   2HG1  ILE  73          2HG1      ILE  73  -6.732 -12.607   6.033
  574   1HG2  ILE  73          1HG2      ILE  73 -10.054 -13.199   5.113
  575   2HG2  ILE  73          2HG2      ILE  73  -9.425 -12.653   3.540
  576   3HG2  ILE  73          3HG2      ILE  73  -9.848 -14.365   3.784
  577   1HD1  ILE  73          1HD1      ILE  73  -5.780 -13.006   3.611
  578   2HD1  ILE  73          2HD1      ILE  73  -6.780 -11.598   3.177
  579   3HD1  ILE  73          3HD1      ILE  73  -5.499 -11.435   4.402
  580    H    THR  74           H        THR  74  -7.033 -16.377   4.144
  581    HA   THR  74           HA       THR  74  -9.214 -18.035   3.720
  582    HB   THR  74           HB       THR  74  -6.686 -17.679   2.668
  583    HG1  THR  74          1HG       THR  74  -7.676 -19.067   1.210
  584   1HG2  THR  74          2HG2      THR  74  -5.807 -19.255   4.545
  585   2HG2  THR  74          3HG2      THR  74  -6.762 -20.532   3.755
  586   3HG2  THR  74          1HG2      THR  74  -5.439 -19.734   2.871
  587    H    ALA  75           H        ALA  75  -7.007 -17.872   6.436
  588    HA   ALA  75           HA       ALA  75  -6.898 -20.362   7.414
  589   1HB   ALA  75          3HB       ALA  75  -6.517 -17.790   8.375
  590   2HB   ALA  75          1HB       ALA  75  -7.790 -18.424   9.445
  591   3HB   ALA  75          2HB       ALA  75  -6.242 -19.289   9.294
  592    H    PHE  76           H        PHE  76  -9.798 -18.362   7.000
  593    HA   PHE  76           HA       PHE  76 -11.376 -20.260   8.534
  594   1HB   PHE  76          1HB       PHE  76 -11.502 -17.459   7.529
  595   2HB   PHE  76          2HB       PHE  76 -13.009 -18.312   7.261
  596    HD1  PHE  76          1HD       PHE  76 -13.350 -19.972   9.588
  597    HD2  PHE  76          2HD       PHE  76 -11.753 -16.049   9.334
  598    HE1  PHE  76          1HE       PHE  76 -14.012 -19.548  11.971
  599    HE2  PHE  76          2HE       PHE  76 -12.416 -15.625  11.717
  600    HZ   PHE  76           HZ       PHE  76 -13.537 -17.380  13.007
  601    H    GLU  77           H        GLU  77 -11.089 -22.104   7.072
  602    HA   GLU  77           HA       GLU  77 -11.832 -21.870   4.377
  603   1HB   GLU  77          1HB       GLU  77 -10.903 -23.961   6.212
  604   2HB   GLU  77          2HB       GLU  77 -12.117 -24.577   5.109
  605   1HG   GLU  77          1HG       GLU  77  -9.704 -22.953   4.183
  606   2HG   GLU  77          2HG       GLU  77  -9.698 -24.703   4.272
  607    H    ASP  78           H        ASP  78 -13.658 -21.763   7.233
  608    HA   ASP  78           HA       ASP  78 -15.907 -23.174   6.151
  609   1HB   ASP  78          1HB       ASP  78 -15.090 -22.887   8.682
  610   2HB   ASP  78          2HB       ASP  78 -16.024 -21.406   8.603
  611    H    TYR  79           H        TYR  79 -14.540 -20.395   5.262
  612    HA   TYR  79           HA       TYR  79 -17.087 -19.107   4.708
  613   1HB   TYR  79          1HB       TYR  79 -14.626 -17.892   6.111
  614   2HB   TYR  79          2HB       TYR  79 -15.928 -16.911   5.469
  615    HD1  TYR  79          1HD       TYR  79 -18.360 -17.584   6.353
  616    HD2  TYR  79          2HD       TYR  79 -14.690 -18.480   8.359
  617    HE1  TYR  79          1HE       TYR  79 -19.612 -17.815   8.554
  618    HE2  TYR  79          2HE       TYR  79 -15.952 -18.708  10.554
  619    HH   TYR  79           HH       TYR  79 -19.418 -18.006  10.720
  620    H    VAL  80           H        VAL  80 -13.499 -19.207   4.333
  621    HA   VAL  80           HA       VAL  80 -13.664 -17.720   1.869
  622    HB   VAL  80           HB       VAL  80 -11.355 -19.116   3.238
  623   1HG1  VAL  80          3HG1      VAL  80 -11.364 -18.430   0.652
  624   2HG1  VAL  80          1HG1      VAL  80 -10.961 -16.840   1.345
  625   3HG1  VAL  80          2HG1      VAL  80  -9.923 -18.247   1.683
  626   1HG2  VAL  80          3HG2      VAL  80 -12.637 -16.455   3.612
  627   2HG2  VAL  80          1HG2      VAL  80 -11.769 -17.487   4.773
  628   3HG2  VAL  80          2HG2      VAL  80 -10.857 -16.497   3.607
  629    H    GLN  81           H        GLN  81 -13.869 -18.568  -0.149
  630    HA   GLN  81           HA       GLN  81 -14.150 -21.415  -0.302
  631   1HB   GLN  81          1HB       GLN  81 -15.757 -19.869  -1.426
  632   2HB   GLN  81          2HB       GLN  81 -14.466 -19.266  -2.445
  633   1HG   GLN  81          1HG       GLN  81 -14.119 -21.835  -3.046
  634   2HG   GLN  81          2HG       GLN  81 -15.760 -22.004  -2.453
  635   1HE2  GLN  81          2HE2      GLN  81 -15.689 -21.348  -6.159
  636   2HE2  GLN  81          1HE2      GLN  81 -14.902 -22.467  -5.097
  637    H    SER  82           H        SER  82 -11.884 -18.848  -1.318
  638    HA   SER  82           HA       SER  82  -9.713 -20.418  -1.427
  639   1HB   SER  82          1HB       SER  82  -9.467 -20.534  -4.061
  640   2HB   SER  82          2HB       SER  82 -10.311 -21.805  -3.196
  641    HG   SER  82           HG       SER  82 -11.275 -20.058  -5.093
  642    H    MET  83           H        MET  83  -8.268 -18.780  -1.049
  643    HA   MET  83           HA       MET  83  -8.826 -16.177  -2.027
  644   1HB   MET  83          1HB       MET  83  -7.731 -16.787   0.215
  645   2HB   MET  83          2HB       MET  83  -6.300 -17.274  -0.671
  646   1HG   MET  83          1HG       MET  83  -6.473 -14.835  -1.731
  647   2HG   MET  83          2HG       MET  83  -7.451 -14.494  -0.318
  648   1HE   MET  83          2HE       MET  83  -4.456 -15.767  -1.850
  649   2HE   MET  83          3HE       MET  83  -3.190 -14.846  -1.002
  650   3HE   MET  83          1HE       MET  83  -3.549 -16.520  -0.516
  651    H    ASP  84           H        ASP  84  -7.426 -14.875  -3.418
  652    HA   ASP  84           HA       ASP  84  -5.526 -16.419  -4.959
  653   1HB   ASP  84          1HB       ASP  84  -7.976 -14.975  -5.999
  654   2HB   ASP  84          2HB       ASP  84  -6.541 -15.033  -7.003
  655    H    VAL  85           H        VAL  85  -4.712 -14.505  -6.795
  656    HA   VAL  85           HA       VAL  85  -4.135 -12.155  -5.123
  657    HB   VAL  85           HB       VAL  85  -2.398 -13.743  -7.008
  658   1HG1  VAL  85          2HG1      VAL  85  -2.189 -11.305  -7.502
  659   2HG1  VAL  85          3HG1      VAL  85  -1.725 -11.038  -5.803
  660   3HG1  VAL  85          1HG1      VAL  85  -0.695 -12.032  -6.862
  661   1HG2  VAL  85          3HG2      VAL  85  -2.261 -13.013  -4.074
  662   2HG2  VAL  85          1HG2      VAL  85  -2.303 -14.630  -4.817
  663   3HG2  VAL  85          2HG2      VAL  85  -0.851 -13.613  -4.979
  664    H    ALA  86           H        ALA  86  -4.402 -10.132  -6.054
  665    HA   ALA  86           HA       ALA  86  -5.523 -10.187  -8.771
  666   1HB   ALA  86          2HB       ALA  86  -6.882  -9.454  -6.634
  667   2HB   ALA  86          3HB       ALA  86  -5.950  -7.945  -6.801
  668   3HB   ALA  86          1HB       ALA  86  -6.997  -8.497  -8.131
  669    H    ALA  87           H        ALA  87  -2.935  -9.112  -6.692
  670    HA   ALA  87           HA       ALA  87  -1.436  -8.136  -8.831
  671   1HB   ALA  87          3HB       ALA  87  -3.258  -6.207  -7.559
  672   2HB   ALA  87          1HB       ALA  87  -1.556  -5.689  -7.526
  673   3HB   ALA  87          2HB       ALA  87  -2.338  -6.077  -9.077
  674    H    PHE  88           H        PHE  88   0.735  -7.767  -8.177
  675    HA   PHE  88           HA       PHE  88   1.306  -7.605  -5.364
  676   1HB   PHE  88          1HB       PHE  88   0.941 -10.118  -6.419
  677   2HB   PHE  88          2HB       PHE  88   2.607  -9.871  -6.903
  678    HD1  PHE  88          1HD       PHE  88   3.613  -8.332  -4.550
  679    HD2  PHE  88          2HD       PHE  88   1.116 -11.756  -4.763
  680    HE1  PHE  88          1HE       PHE  88   4.383  -9.036  -2.266
  681    HE2  PHE  88          2HE       PHE  88   1.885 -12.460  -2.480
  682    HZ   PHE  88           HZ       PHE  88   3.510 -11.091  -1.259
  683    H    ASN  89           H        ASN  89   2.279  -5.590  -6.046
  684    HA   ASN  89           HA       ASN  89   4.946  -6.020  -6.980
  685   1HB   ASN  89          1HB       ASN  89   2.824  -4.801  -8.679
  686   2HB   ASN  89          2HB       ASN  89   4.255  -3.799  -8.532
  687   1HD2  ASN  89          2HD2      ASN  89   4.211  -7.227 -10.743
  688   2HD2  ASN  89          1HD2      ASN  89   2.857  -6.641  -9.837
  689    H    LYS  90           H        LYS  90   5.866  -3.450  -7.245
  690    HA   LYS  90           HA       LYS  90   5.513  -2.389  -4.623
  691   1HB   LYS  90          1HB       LYS  90   7.084  -0.583  -5.657
  692   2HB   LYS  90          2HB       LYS  90   7.692  -2.195  -5.343
  693   1HG   LYS  90          1HG       LYS  90   6.432  -1.895  -8.018
  694   2HG   LYS  90          2HG       LYS  90   7.843  -0.881  -7.785
  695   1HD   LYS  90          1HD       LYS  90   8.973  -3.067  -6.839
  696   2HD   LYS  90          2HD       LYS  90   7.657  -3.907  -7.635
  697   1HE   LYS  90          1HE       LYS  90   8.471  -3.472  -9.746
  698   2HE   LYS  90          2HE       LYS  90   8.993  -1.852  -9.328
  699   1HZ   LYS  90          3HZ       LYS  90  10.407  -4.141  -8.211
  700   2HZ   LYS  90          1HZ       LYS  90  10.723  -3.669  -9.742
  701   3HZ   LYS  90          2HZ       LYS  90  10.960  -2.633  -8.502
  702    H    ILE  91           H        ILE  91   4.522  -0.539  -3.983
  703    HA   ILE  91           HA       ILE  91   3.005   0.999  -6.016
  704    HB   ILE  91           HB       ILE  91   1.913  -0.469  -3.606
  705   1HG1  ILE  91          1HG1      ILE  91   0.813  -0.068  -6.416
  706   2HG1  ILE  91          2HG1      ILE  91   1.870  -1.427  -5.963
  707   1HG2  ILE  91          2HG2      ILE  91   0.808   2.005  -4.994
  708   2HG2  ILE  91          3HG2      ILE  91  -0.179   0.922  -3.984
  709   3HG2  ILE  91          1HG2      ILE  91   1.187   1.810  -3.265
  710   1HD1  ILE  91          2HD1      ILE  91  -0.744  -0.756  -4.552
  711   2HD1  ILE  91          3HD1      ILE  91  -0.594  -1.966  -5.849
  712   3HD1  ILE  91          1HD1      ILE  91   0.268  -2.200  -4.309
   
  No H/Q in entry =         712
  Start of MODEL   19
    1   1H    MET   1           H        MET   1  16.539  -3.265   8.195
    2   2H    MET   1          2HN       MET   1  17.741  -2.269   7.638
    3   3H    MET   1          3HN       MET   1  17.512  -2.462   9.267
    4    HA   MET   1           HA       MET   1  15.861  -1.049   9.400
    5   1HB   MET   1          1HB       MET   1  17.451  -0.400   6.929
    6   2HB   MET   1          2HB       MET   1  16.034   0.596   7.336
    7   1HG   MET   1          1HG       MET   1  16.948   0.965   9.598
    8   2HG   MET   1          2HG       MET   1  18.361  -0.022   9.191
    9   1HE   MET   1          1HE       MET   1  20.021   1.627   9.926
   10   2HE   MET   1          2HE       MET   1  20.190   3.307   9.361
   11   3HE   MET   1          3HE       MET   1  18.839   2.857  10.429
   12    H    LEU   2           H        LEU   2  13.893  -2.274   9.322
   13    HA   LEU   2           HA       LEU   2  12.786  -3.456   7.155
   14   1HB   LEU   2          1HB       LEU   2  11.865  -3.718   9.326
   15   2HB   LEU   2          2HB       LEU   2  11.518  -2.007   9.472
   16    HG   LEU   2           HG       LEU   2  10.198  -3.580   7.283
   17   1HD1  LEU   2          2HD1      LEU   2  10.042  -4.446   9.916
   18   2HD1  LEU   2          3HD1      LEU   2   8.582  -3.452   9.704
   19   3HD1  LEU   2          1HD1      LEU   2   8.898  -4.815   8.603
   20   1HD2  LEU   2          3HD2      LEU   2   9.798  -0.999   8.693
   21   2HD2  LEU   2          1HD2      LEU   2   9.521  -1.442   6.992
   22   3HD2  LEU   2          2HD2      LEU   2   8.330  -1.895   8.235
   23    H    VAL   3           H        VAL   3  12.605  -2.686   5.119
   24    HA   VAL   3           HA       VAL   3  11.042  -0.307   4.719
   25    HB   VAL   3           HB       VAL   3  13.518   0.344   5.098
   26   1HG1  VAL   3          2HG1      VAL   3  13.955  -1.542   3.123
   27   2HG1  VAL   3          3HG1      VAL   3  14.053  -0.002   2.234
   28   3HG1  VAL   3          1HG1      VAL   3  15.105  -0.286   3.642
   29   1HG2  VAL   3          1HG2      VAL   3  11.425   1.442   3.609
   30   2HG2  VAL   3          2HG2      VAL   3  12.895   2.278   4.165
   31   3HG2  VAL   3          3HG2      VAL   3  12.843   1.558   2.538
   32    H    ALA   4           H        ALA   4  10.912   0.067   2.176
   33    HA   ALA   4           HA       ALA   4  10.649  -0.767   0.111
   34   1HB   ALA   4          1HB       ALA   4  12.636  -2.328   0.802
   35   2HB   ALA   4          2HB       ALA   4  11.368  -3.560   1.007
   36   3HB   ALA   4          3HB       ALA   4  11.611  -2.788  -0.578
   37    H    LYS   5           H        LYS   5   8.420  -0.219   0.607
   38    HA   LYS   5           HA       LYS   5   6.795  -2.476   1.497
   39   1HB   LYS   5          1HB       LYS   5   6.278   0.497   1.297
   40   2HB   LYS   5          2HB       LYS   5   5.000  -0.663   1.594
   41   1HG   LYS   5          1HG       LYS   5   7.443  -0.935   3.311
   42   2HG   LYS   5          2HG       LYS   5   6.470   0.497   3.584
   43   1HD   LYS   5          1HD       LYS   5   5.396  -2.365   3.587
   44   2HD   LYS   5          2HD       LYS   5   5.775  -1.438   5.026
   45   1HE   LYS   5          1HE       LYS   5   3.579  -0.918   2.987
   46   2HE   LYS   5          2HE       LYS   5   3.412  -1.179   4.712
   47   1HZ   LYS   5          1HZ       LYS   5   4.936   0.940   4.741
   48   2HZ   LYS   5          2HZ       LYS   5   4.211   1.209   3.303
   49   3HZ   LYS   5          3HZ       LYS   5   3.308   1.050   4.655
   50    H    SER   6           H        SER   6   4.635  -2.746   0.306
   51    HA   SER   6           HA       SER   6   4.670  -1.899  -2.413
   52   1HB   SER   6          1HB       SER   6   5.688  -4.547  -1.662
   53   2HB   SER   6          2HB       SER   6   4.308  -4.680  -2.735
   54    HG   SER   6           HG       SER   6   6.295  -2.759  -3.419
   55    H    SER   7           H        SER   7   2.664  -3.072  -3.587
   56    HA   SER   7           HA       SER   7   0.578  -3.257  -1.555
   57   1HB   SER   7          1HB       SER   7  -0.229  -1.421  -2.640
   58   2HB   SER   7          2HB       SER   7   0.785  -1.686  -4.045
   59    HG   SER   7           HG       SER   7  -1.806  -2.048  -3.958
   60    H    ILE   8           H        ILE   8  -1.115  -4.848  -1.912
   61    HA   ILE   8           HA       ILE   8  -0.751  -6.634  -4.170
   62    HB   ILE   8           HB       ILE   8  -0.370  -7.422  -1.295
   63   1HG1  ILE   8          1HG1      ILE   8   1.421  -8.812  -2.838
   64   2HG1  ILE   8          2HG1      ILE   8   1.277  -7.317  -3.741
   65   1HG2  ILE   8          2HG2      ILE   8  -1.845  -8.882  -3.303
   66   2HG2  ILE   8          3HG2      ILE   8  -0.367  -9.761  -2.846
   67   3HG2  ILE   8          1HG2      ILE   8  -1.541  -9.283  -1.596
   68   1HD1  ILE   8          2HD1      ILE   8   1.625  -7.212  -0.734
   69   2HD1  ILE   8          3HD1      ILE   8   3.035  -7.474  -1.789
   70   3HD1  ILE   8          1HD1      ILE   8   2.061  -5.994  -1.956
   71    H    LEU   9           H        LEU   9  -2.700  -7.236  -4.989
   72    HA   LEU   9           HA       LEU   9  -5.028  -6.556  -3.347
   73   1HB   LEU   9          1HB       LEU   9  -4.622  -5.448  -5.583
   74   2HB   LEU   9          2HB       LEU   9  -4.919  -7.007  -6.328
   75    HG   LEU   9           HG       LEU   9  -7.191  -7.020  -5.254
   76   1HD1  LEU   9          3HD1      LEU   9  -6.136  -4.790  -3.846
   77   2HD1  LEU   9          1HD1      LEU   9  -7.481  -4.205  -4.855
   78   3HD1  LEU   9          2HD1      LEU   9  -7.745  -5.537  -3.704
   79   1HD2  LEU   9          3HD2      LEU   9  -6.273  -5.696  -7.560
   80   2HD2  LEU   9          1HD2      LEU   9  -7.918  -6.285  -7.217
   81   3HD2  LEU   9          2HD2      LEU   9  -7.470  -4.611  -6.813
   82    H    LEU  10           H        LEU  10  -5.860  -8.244  -2.244
   83    HA   LEU  10           HA       LEU  10  -5.592 -10.892  -3.462
   84   1HB   LEU  10          1HB       LEU  10  -6.161 -10.050  -0.617
   85   2HB   LEU  10          2HB       LEU  10  -6.112 -11.709  -1.180
   86    HG   LEU  10           HG       LEU  10  -3.680 -10.967  -2.009
   87   1HD1  LEU  10          3HD1      LEU  10  -4.448  -8.953   0.070
   88   2HD1  LEU  10          1HD1      LEU  10  -2.778  -9.564   0.022
   89   3HD1  LEU  10          2HD1      LEU  10  -3.473  -8.762  -1.407
   90   1HD2  LEU  10          1HD2      LEU  10  -4.699 -12.092   0.550
   91   2HD2  LEU  10          2HD2      LEU  10  -3.630 -12.805  -0.681
   92   3HD2  LEU  10          3HD2      LEU  10  -2.981 -11.629   0.486
   93    H    ASP  11           H        ASP  11  -7.395 -12.198  -3.871
   94    HA   ASP  11           HA       ASP  11  -9.945 -10.856  -3.439
   95   1HB   ASP  11          1HB       ASP  11  -8.775 -11.238  -5.914
   96   2HB   ASP  11          2HB       ASP  11  -9.723 -12.706  -5.771
   97    H    VAL  12           H        VAL  12 -10.945 -12.157  -1.882
   98    HA   VAL  12           HA       VAL  12 -10.575 -15.058  -2.141
   99    HB   VAL  12           HB       VAL  12 -11.733 -14.446   0.337
  100   1HG1  VAL  12          3HG1      VAL  12  -9.928 -16.155  -0.456
  101   2HG1  VAL  12          1HG1      VAL  12  -8.772 -14.877  -0.011
  102   3HG1  VAL  12          2HG1      VAL  12  -9.879 -15.544   1.214
  103   1HG2  VAL  12          1HG2      VAL  12  -9.476 -12.522  -0.322
  104   2HG2  VAL  12          2HG2      VAL  12 -11.156 -12.101   0.092
  105   3HG2  VAL  12          3HG2      VAL  12 -10.098 -12.848   1.314
  106    H    LYS  13           H        LYS  13 -12.310 -16.320  -2.646
  107    HA   LYS  13           HA       LYS  13 -14.816 -14.930  -3.090
  108   1HB   LYS  13          1HB       LYS  13 -13.430 -16.840  -4.516
  109   2HB   LYS  13          2HB       LYS  13 -14.661 -17.800  -3.723
  110   1HG   LYS  13          1HG       LYS  13 -16.420 -16.717  -4.811
  111   2HG   LYS  13          2HG       LYS  13 -15.549 -15.203  -4.954
  112   1HD   LYS  13          1HD       LYS  13 -14.340 -15.916  -6.856
  113   2HD   LYS  13          2HD       LYS  13 -14.541 -17.615  -6.478
  114   1HE   LYS  13          1HE       LYS  13 -17.113 -17.153  -6.851
  115   2HE   LYS  13          2HE       LYS  13 -16.574 -15.699  -7.668
  116   1HZ   LYS  13          1HZ       LYS  13 -15.508 -18.345  -8.342
  117   2HZ   LYS  13          2HZ       LYS  13 -16.834 -17.726  -9.069
  118   3HZ   LYS  13          3HZ       LYS  13 -15.394 -16.968  -9.213
  119    HA   PRO  14           HA       PRO  14 -16.523 -16.458   0.582
  120   1HB   PRO  14          1HB       PRO  14 -19.147 -15.837   0.139
  121   2HB   PRO  14          2HB       PRO  14 -17.973 -14.675   0.721
  122   1HG   PRO  14          1HG       PRO  14 -19.146 -14.929  -1.980
  123   2HG   PRO  14          2HG       PRO  14 -18.320 -13.557  -1.266
  124   1HD   PRO  14          1HD       PRO  14 -17.244 -15.399  -3.183
  125   2HD   PRO  14          2HD       PRO  14 -16.385 -14.099  -2.382
  126    H    TRP  15           H        TRP  15 -17.368 -18.288   1.518
  127    HA   TRP  15           HA       TRP  15 -17.477 -20.515  -0.102
  128   1HB   TRP  15          1HB       TRP  15 -17.830 -19.876   2.661
  129   2HB   TRP  15          2HB       TRP  15 -19.125 -20.950   2.173
  130    HD1  TRP  15           HD       TRP  15 -16.214 -21.534   3.919
  131    HE1  TRP  15          1HE       TRP  15 -14.876 -23.743   3.377
  132    HE3  TRP  15          3HE       TRP  15 -18.356 -22.343  -0.622
  133    HZ2  TRP  15          2HZ       TRP  15 -14.863 -25.540   1.161
  134    HZ3  TRP  15          3HZ       TRP  15 -17.624 -24.348  -1.910
  135    HH2  TRP  15           HH       TRP  15 -15.941 -25.918  -1.088
  136    H    ASP  16           H        ASP  16 -19.795 -17.949   0.455
  137    HA   ASP  16           HA       ASP  16 -21.386 -18.510  -1.600
  138   1HB   ASP  16          1HB       ASP  16 -22.176 -20.603  -0.847
  139   2HB   ASP  16          2HB       ASP  16 -22.172 -20.113   0.836
  140    H    ASP  17           H        ASP  17 -23.660 -17.362  -1.319
  141    HA   ASP  17           HA       ASP  17 -23.403 -14.885  -0.469
  142   1HB   ASP  17          1HB       ASP  17 -25.424 -15.293  -1.561
  143   2HB   ASP  17          2HB       ASP  17 -25.750 -16.749  -0.644
  144    H    GLU  18           H        GLU  18 -24.014 -17.783   1.520
  145    HA   GLU  18           HA       GLU  18 -24.962 -16.591   3.801
  146   1HB   GLU  18          1HB       GLU  18 -24.224 -18.636   4.953
  147   2HB   GLU  18          2HB       GLU  18 -24.931 -19.035   3.401
  148   1HG   GLU  18          1HG       GLU  18 -22.534 -19.006   2.442
  149   2HG   GLU  18          2HG       GLU  18 -21.966 -18.919   4.097
  150    H    THR  19           H        THR  19 -21.544 -17.331   2.825
  151    HA   THR  19           HA       THR  19 -20.169 -16.582   5.012
  152    HB   THR  19           HB       THR  19 -19.705 -16.169   2.031
  153    HG1  THR  19          1HG       THR  19 -19.724 -18.276   3.374
  154   1HG2  THR  19          2HG2      THR  19 -17.887 -15.478   4.383
  155   2HG2  THR  19          3HG2      THR  19 -17.225 -15.967   2.805
  156   3HG2  THR  19          1HG2      THR  19 -18.223 -14.498   2.936
  157    H    ASP  20           H        ASP  20 -20.787 -15.012   6.405
  158    HA   ASP  20           HA       ASP  20 -22.012 -12.696   5.773
  159   1HB   ASP  20          1HB       ASP  20 -20.703 -13.847   8.050
  160   2HB   ASP  20          2HB       ASP  20 -20.092 -12.211   7.907
  161    H    MET  21           H        MET  21 -21.204 -11.425   4.043
  162    HA   MET  21           HA       MET  21 -18.477 -11.081   3.583
  163   1HB   MET  21          1HB       MET  21 -20.903  -9.409   2.719
  164   2HB   MET  21          2HB       MET  21 -19.311  -9.277   1.997
  165   1HG   MET  21          1HG       MET  21 -19.536 -11.875   1.582
  166   2HG   MET  21          2HG       MET  21 -21.247 -11.614   1.863
  167   1HE   MET  21          1HE       MET  21 -18.447 -11.708  -0.101
  168   2HE   MET  21          2HE       MET  21 -19.245 -11.790  -1.690
  169   3HE   MET  21          3HE       MET  21 -18.394 -10.307  -1.197
  170    H    ALA  22           H        ALA  22 -20.648  -9.634   5.870
  171    HA   ALA  22           HA       ALA  22 -19.275  -7.126   6.047
  172   1HB   ALA  22          2HB       ALA  22 -21.674  -8.401   7.097
  173   2HB   ALA  22          3HB       ALA  22 -20.774  -7.568   8.387
  174   3HB   ALA  22          1HB       ALA  22 -21.289  -6.670   6.938
  175    H    LYS  23           H        LYS  23 -19.086 -10.363   7.509
  176    HA   LYS  23           HA       LYS  23 -17.285  -9.421   9.567
  177   1HB   LYS  23          1HB       LYS  23 -19.106 -11.240   9.807
  178   2HB   LYS  23          2HB       LYS  23 -17.987 -12.295   8.969
  179   1HG   LYS  23          1HG       LYS  23 -16.939 -10.677  11.294
  180   2HG   LYS  23          2HG       LYS  23 -17.959 -12.059  11.646
  181   1HD   LYS  23          1HD       LYS  23 -16.449 -13.538  10.335
  182   2HD   LYS  23          2HD       LYS  23 -15.451 -12.163   9.902
  183   1HE   LYS  23          1HE       LYS  23 -14.300 -12.314  11.853
  184   2HE   LYS  23          2HE       LYS  23 -15.780 -12.200  12.786
  185   1HZ   LYS  23          3HZ       LYS  23 -15.815 -14.707  11.760
  186   2HZ   LYS  23          1HZ       LYS  23 -14.248 -14.487  12.162
  187   3HZ   LYS  23          2HZ       LYS  23 -15.415 -14.301  13.290
  188    H    LEU  24           H        LEU  24 -17.243 -11.153   6.435
  189    HA   LEU  24           HA       LEU  24 -14.541 -11.944   6.621
  190   1HB   LEU  24          1HB       LEU  24 -16.669 -12.488   4.986
  191   2HB   LEU  24          2HB       LEU  24 -15.664 -11.500   3.943
  192    HG   LEU  24           HG       LEU  24 -14.645 -13.946   5.409
  193   1HD1  LEU  24          2HD1      LEU  24 -16.353 -13.775   3.077
  194   2HD1  LEU  24          3HD1      LEU  24 -14.791 -14.529   2.677
  195   3HD1  LEU  24          1HD1      LEU  24 -15.796 -15.201   3.984
  196   1HD2  LEU  24          3HD2      LEU  24 -13.134 -11.983   4.456
  197   2HD2  LEU  24          1HD2      LEU  24 -12.658 -13.693   4.321
  198   3HD2  LEU  24          2HD2      LEU  24 -13.391 -12.861   2.929
  199    H    GLU  25           H        GLU  25 -16.240  -9.043   5.341
  200    HA   GLU  25           HA       GLU  25 -13.883  -7.957   4.248
  201   1HB   GLU  25          1HB       GLU  25 -16.256  -7.413   3.537
  202   2HB   GLU  25          2HB       GLU  25 -16.451  -6.510   5.027
  203   1HG   GLU  25          1HG       GLU  25 -13.991  -5.624   3.839
  204   2HG   GLU  25          2HG       GLU  25 -15.184  -5.672   2.556
  205    H    GLU  26           H        GLU  26 -15.826  -7.269   7.239
  206    HA   GLU  26           HA       GLU  26 -14.188  -5.272   8.183
  207   1HB   GLU  26          1HB       GLU  26 -16.080  -7.227   9.523
  208   2HB   GLU  26          2HB       GLU  26 -15.171  -6.078  10.484
  209   1HG   GLU  26          1HG       GLU  26 -16.900  -5.259   8.105
  210   2HG   GLU  26          2HG       GLU  26 -17.497  -5.301   9.752
  211    H    CYS  27           H        CYS  27 -14.223  -8.809   9.041
  212    HA   CYS  27           HA       CYS  27 -12.172  -8.833  10.805
  213   1HB   CYS  27          1HB       CYS  27 -13.619 -10.776  10.165
  214   2HB   CYS  27          2HB       CYS  27 -12.675 -10.962   8.700
  215    HG   CYS  27           HG       CYS  27 -11.596 -10.969  11.834
  216    H    VAL  28           H        VAL  28 -11.991  -9.205   7.188
  217    HA   VAL  28           HA       VAL  28  -9.296  -9.464   6.910
  218    HB   VAL  28           HB       VAL  28 -11.564  -8.551   5.292
  219   1HG1  VAL  28          2HG1      VAL  28  -8.818  -7.421   4.845
  220   2HG1  VAL  28          3HG1      VAL  28  -9.826  -7.850   3.442
  221   3HG1  VAL  28          1HG1      VAL  28 -10.413  -6.661   4.628
  222   1HG2  VAL  28          2HG2      VAL  28  -9.404 -10.566   5.235
  223   2HG2  VAL  28          3HG2      VAL  28 -11.099 -10.679   4.702
  224   3HG2  VAL  28          1HG2      VAL  28  -9.880  -9.930   3.642
  225    H    ARG  29           H        ARG  29 -11.221  -6.505   7.548
  226    HA   ARG  29           HA       ARG  29  -9.010  -4.804   7.163
  227   1HB   ARG  29          1HB       ARG  29 -11.756  -4.463   7.380
  228   2HB   ARG  29          2HB       ARG  29 -11.217  -3.853   8.932
  229   1HG   ARG  29          1HG       ARG  29  -9.375  -2.689   7.216
  230   2HG   ARG  29          2HG       ARG  29 -10.809  -2.724   6.210
  231   1HD   ARG  29          1HD       ARG  29 -12.105  -1.611   8.074
  232   2HD   ARG  29          2HD       ARG  29 -10.628  -1.514   9.012
  233    HE   ARG  29           HE       ARG  29 -10.101  -0.361   6.459
  234   1HH1  ARG  29          2HH2      ARG  29 -12.042   0.287   9.322
  235   2HH1  ARG  29          1HH2      ARG  29 -12.030   2.005   9.098
  236   1HH2  ARG  29          2HH1      ARG  29 -10.086   1.904   6.162
  237   2HH2  ARG  29          1HH1      ARG  29 -10.910   2.931   7.288
  238    H    SER  30           H        SER  30 -10.503  -6.542   9.910
  239    HA   SER  30           HA       SER  30  -9.154  -5.116  11.906
  240   1HB   SER  30          1HB       SER  30 -10.064  -6.704  13.411
  241   2HB   SER  30          2HB       SER  30 -11.241  -6.622  12.114
  242    HG   SER  30           HG       SER  30  -9.529  -8.735  12.869
  243    H    ILE  31           H        ILE  31  -8.293  -7.754   9.723
  244    HA   ILE  31           HA       ILE  31  -6.382  -9.124  11.054
  245    HB   ILE  31           HB       ILE  31  -6.511  -8.195   8.194
  246   1HG1  ILE  31          1HG1      ILE  31  -8.303  -9.661   8.747
  247   2HG1  ILE  31          2HG1      ILE  31  -7.136 -10.589   7.827
  248   1HG2  ILE  31          3HG2      ILE  31  -4.309  -9.531   9.603
  249   2HG2  ILE  31          1HG2      ILE  31  -4.880 -10.397   8.156
  250   3HG2  ILE  31          2HG2      ILE  31  -4.339  -8.705   8.027
  251   1HD1  ILE  31          2HD1      ILE  31  -6.170 -11.100  10.303
  252   2HD1  ILE  31          3HD1      ILE  31  -7.873 -10.796  10.726
  253   3HD1  ILE  31          1HD1      ILE  31  -7.460 -12.079   9.564
  254    H    GLN  32           H        GLN  32  -4.491  -8.681  12.062
  255    HA   GLN  32           HA       GLN  32  -3.279  -6.114  11.384
  256   1HB   GLN  32          1HB       GLN  32  -4.381  -6.788  13.827
  257   2HB   GLN  32          2HB       GLN  32  -2.702  -7.225  14.080
  258   1HG   GLN  32          1HG       GLN  32  -2.435  -4.776  12.813
  259   2HG   GLN  32          2HG       GLN  32  -3.923  -4.536  13.706
  260   1HE2  GLN  32          2HE2      GLN  32  -2.238  -3.766  16.615
  261   2HE2  GLN  32          1HE2      GLN  32  -3.517  -3.474  15.484
  262    H    ALA  33           H        ALA  33  -1.012  -6.061  11.102
  263    HA   ALA  33           HA       ALA  33   0.575  -8.337  11.796
  264   1HB   ALA  33          1HB       ALA  33  -0.659  -8.985   9.643
  265   2HB   ALA  33          2HB       ALA  33   0.289  -7.711   8.840
  266   3HB   ALA  33          3HB       ALA  33   1.116  -9.091   9.601
  267    H    ASP  34           H        ASP  34   2.918  -7.943  10.991
  268    HA   ASP  34           HA       ASP  34   3.519  -5.269  11.662
  269   1HB   ASP  34          1HB       ASP  34   4.848  -7.554  12.029
  270   2HB   ASP  34          2HB       ASP  34   5.523  -7.192  10.453
  271    H    GLY  35           H        GLY  35   4.360  -3.619  10.250
  272   1HA   GLY  35          1HA       GLY  35   4.688  -2.509   8.326
  273   2HA   GLY  35          2HA       GLY  35   5.281  -4.012   7.648
  274    H    LEU  36           H        LEU  36   2.042  -4.160   8.949
  275    HA   LEU  36           HA       LEU  36   1.025  -4.348   6.226
  276   1HB   LEU  36          1HB       LEU  36   0.395  -6.229   7.353
  277   2HB   LEU  36          2HB       LEU  36   0.233  -5.407   8.892
  278    HG   LEU  36           HG       LEU  36  -1.842  -4.275   7.925
  279   1HD1  LEU  36          2HD1      LEU  36  -1.087  -6.032   5.666
  280   2HD1  LEU  36          3HD1      LEU  36  -2.810  -6.031   6.111
  281   3HD1  LEU  36          1HD1      LEU  36  -1.999  -4.504   5.690
  282   1HD2  LEU  36          2HD2      LEU  36  -1.657  -7.219   8.539
  283   2HD2  LEU  36          3HD2      LEU  36  -2.214  -5.883   9.575
  284   3HD2  LEU  36          1HD2      LEU  36  -3.218  -6.431   8.211
  285    H    VAL  37           H        VAL  37  -0.659  -3.055   5.424
  286    HA   VAL  37           HA       VAL  37  -1.675  -0.979   7.191
  287    HB   VAL  37           HB       VAL  37   0.123  -0.575   4.844
  288   1HG1  VAL  37          3HG1      VAL  37  -2.303   1.093   5.481
  289   2HG1  VAL  37          1HG1      VAL  37  -0.841   1.844   4.798
  290   3HG1  VAL  37          2HG1      VAL  37  -1.683   0.555   3.903
  291   1HG2  VAL  37          2HG2      VAL  37  -0.300   0.869   7.482
  292   2HG2  VAL  37          3HG2      VAL  37   1.029  -0.240   7.066
  293   3HG2  VAL  37          1HG2      VAL  37   0.894   1.334   6.246
  294    H    TRP  38           H        TRP  38  -3.844  -1.173   7.031
  295    HA   TRP  38           HA       TRP  38  -4.971  -2.388   4.669
  296   1HB   TRP  38          1HB       TRP  38  -5.973  -1.617   7.382
  297   2HB   TRP  38          2HB       TRP  38  -7.121  -1.864   6.082
  298    HD1  TRP  38           HD       TRP  38  -5.807  -3.797   8.795
  299    HE1  TRP  38          1HE       TRP  38  -5.792  -6.410   8.424
  300    HE3  TRP  38          3HE       TRP  38  -6.404  -3.612   3.748
  301    HZ2  TRP  38          2HZ       TRP  38  -6.027  -8.068   6.113
  302    HZ3  TRP  38          3HZ       TRP  38  -6.502  -5.773   2.511
  303    HH2  TRP  38           HH       TRP  38  -6.324  -7.948   3.612
  304    H    GLY  39           H        GLY  39  -5.676  -1.225   2.928
  305   1HA   GLY  39          1HA       GLY  39  -5.755   1.686   3.158
  306   2HA   GLY  39          2HA       GLY  39  -5.752   0.730   1.689
  307    H    SER  40           H        SER  40  -7.756  -0.488   1.099
  308    HA   SER  40           HA       SER  40 -10.117   0.058   2.536
  309   1HB   SER  40          1HB       SER  40  -9.453   1.710   0.102
  310   2HB   SER  40          2HB       SER  40 -11.118   1.221   0.342
  311    HG   SER  40           HG       SER  40 -11.326   2.658   1.916
  312    H    SER  41           H        SER  41 -11.671  -1.499   1.998
  313    HA   SER  41           HA       SER  41 -10.824  -3.362  -0.029
  314   1HB   SER  41          1HB       SER  41 -12.653  -4.802   0.940
  315   2HB   SER  41          2HB       SER  41 -11.430  -4.332   2.104
  316    HG   SER  41           HG       SER  41 -12.851  -3.087   3.182
  317    H    LYS  42           H        LYS  42 -12.409  -4.208  -1.651
  318    HA   LYS  42           HA       LYS  42 -14.578  -2.314  -2.191
  319   1HB   LYS  42          1HB       LYS  42 -13.781  -2.964  -4.706
  320   2HB   LYS  42          2HB       LYS  42 -13.323  -1.498  -3.863
  321   1HG   LYS  42          1HG       LYS  42 -11.259  -2.633  -3.012
  322   2HG   LYS  42          2HG       LYS  42 -11.716  -4.097  -3.858
  323   1HD   LYS  42          1HD       LYS  42 -11.333  -1.425  -5.280
  324   2HD   LYS  42          2HD       LYS  42 -10.031  -2.578  -5.067
  325   1HE   LYS  42          1HE       LYS  42 -10.924  -4.094  -6.587
  326   2HE   LYS  42          2HE       LYS  42 -12.582  -3.674  -6.204
  327   1HZ   LYS  42          3HZ       LYS  42 -10.965  -1.636  -7.467
  328   2HZ   LYS  42          1HZ       LYS  42 -11.433  -2.894  -8.396
  329   3HZ   LYS  42          2HZ       LYS  42 -12.553  -1.966  -7.653
  330    H    LEU  43           H        LEU  43 -16.361  -3.240  -3.433
  331    HA   LEU  43           HA       LEU  43 -16.396  -6.168  -3.192
  332   1HB   LEU  43          1HB       LEU  43 -18.307  -4.066  -2.397
  333   2HB   LEU  43          2HB       LEU  43 -19.014  -5.445  -3.216
  334    HG   LEU  43           HG       LEU  43 -19.070  -5.679  -0.776
  335   1HD1  LEU  43          3HD1      LEU  43 -17.397  -7.640  -2.344
  336   2HD1  LEU  43          1HD1      LEU  43 -17.875  -7.937  -0.655
  337   3HD1  LEU  43          2HD1      LEU  43 -19.121  -7.732  -1.909
  338   1HD2  LEU  43          3HD2      LEU  43 -16.598  -4.511  -0.773
  339   2HD2  LEU  43          1HD2      LEU  43 -17.337  -5.359   0.607
  340   3HD2  LEU  43          2HD2      LEU  43 -16.197  -6.216  -0.457
  341    H    VAL  44           H        VAL  44 -17.833  -7.276  -4.813
  342    HA   VAL  44           HA       VAL  44 -18.391  -5.774  -7.205
  343    HB   VAL  44           HB       VAL  44 -16.084  -7.656  -6.953
  344   1HG1  VAL  44          3HG1      VAL  44 -18.061  -7.632  -9.176
  345   2HG1  VAL  44          1HG1      VAL  44 -16.341  -7.625  -9.634
  346   3HG1  VAL  44          2HG1      VAL  44 -16.984  -8.930  -8.609
  347   1HG2  VAL  44          3HG2      VAL  44 -16.643  -4.946  -8.060
  348   2HG2  VAL  44          1HG2      VAL  44 -15.224  -5.557  -7.174
  349   3HG2  VAL  44          2HG2      VAL  44 -15.423  -5.932  -8.903
  350    HA   PRO  45           HA       PRO  45 -21.378  -8.975  -6.564
  351   1HB   PRO  45          1HB       PRO  45 -23.488  -7.650  -7.686
  352   2HB   PRO  45          2HB       PRO  45 -23.073  -7.526  -5.988
  353   1HG   PRO  45          1HG       PRO  45 -22.638  -5.559  -8.151
  354   2HG   PRO  45          2HG       PRO  45 -22.628  -5.304  -6.418
  355   1HD   PRO  45          1HD       PRO  45 -20.340  -5.475  -8.140
  356   2HD   PRO  45          2HD       PRO  45 -20.329  -5.336  -6.394
  357    H    VAL  46           H        VAL  46 -21.961 -10.728  -7.752
  358    HA   VAL  46           HA       VAL  46 -21.353 -10.385 -10.602
  359    HB   VAL  46           HB       VAL  46 -21.279 -12.777  -8.758
  360   1HG1  VAL  46          1HG1      VAL  46 -21.940 -12.815 -11.486
  361   2HG1  VAL  46          2HG1      VAL  46 -20.220 -13.266 -11.417
  362   3HG1  VAL  46          3HG1      VAL  46 -21.421 -14.190 -10.483
  363   1HG2  VAL  46          1HG2      VAL  46 -19.370 -10.846  -9.254
  364   2HG2  VAL  46          2HG2      VAL  46 -19.053 -12.491  -8.656
  365   3HG2  VAL  46          3HG2      VAL  46 -18.925 -12.137 -10.395
  366    H    GLY  47           H        GLY  47 -23.431 -12.581  -8.580
  367   1HA   GLY  47          1HA       GLY  47 -25.864 -11.626  -9.676
  368   2HA   GLY  47          2HA       GLY  47 -25.336 -13.056 -10.540
  369    H    TYR  48           H        TYR  48 -27.667 -13.390  -9.253
  370    HA   TYR  48           HA       TYR  48 -28.700 -14.760  -7.844
  371   1HB   TYR  48          1HB       TYR  48 -26.257 -15.928  -8.289
  372   2HB   TYR  48          2HB       TYR  48 -26.047 -15.561  -6.588
  373    HD1  TYR  48          1HD       TYR  48 -27.698 -16.525  -4.908
  374    HD2  TYR  48          2HD       TYR  48 -27.552 -17.793  -8.992
  375    HE1  TYR  48          1HE       TYR  48 -28.956 -18.648  -4.301
  376    HE2  TYR  48          2HE       TYR  48 -28.811 -19.913  -8.371
  377    HH   TYR  48           HH       TYR  48 -30.394 -20.606  -6.586
  378    H    GLY  49           H        GLY  49 -25.708 -13.720  -6.049
  379   1HA   GLY  49          1HA       GLY  49 -26.708 -11.737  -4.509
  380   2HA   GLY  49          2HA       GLY  49 -27.269 -13.176  -3.682
  381    H    ILE  50           H        ILE  50 -24.207 -12.736  -5.555
  382    HA   ILE  50           HA       ILE  50 -22.751 -12.994  -3.024
  383    HB   ILE  50           HB       ILE  50 -22.355 -14.569  -5.563
  384   1HG1  ILE  50          1HG1      ILE  50 -22.414 -15.782  -2.838
  385   2HG1  ILE  50          2HG1      ILE  50 -23.931 -15.183  -3.479
  386   1HG2  ILE  50          3HG2      ILE  50 -20.447 -14.116  -3.264
  387   2HG2  ILE  50          1HG2      ILE  50 -20.347 -15.530  -4.341
  388   3HG2  ILE  50          2HG2      ILE  50 -20.164 -13.888  -5.007
  389   1HD1  ILE  50          2HD1      ILE  50 -23.555 -16.523  -5.572
  390   2HD1  ILE  50          3HD1      ILE  50 -22.066 -17.177  -4.847
  391   3HD1  ILE  50          1HD1      ILE  50 -23.646 -17.537  -4.112
  392    H    LYS  51           H        LYS  51 -20.518 -12.132  -3.133
  393    HA   LYS  51           HA       LYS  51 -20.096 -10.319  -5.381
  394   1HB   LYS  51          1HB       LYS  51 -20.155  -9.482  -2.467
  395   2HB   LYS  51          2HB       LYS  51 -19.482  -8.505  -3.757
  396   1HG   LYS  51          1HG       LYS  51 -21.559  -7.709  -4.185
  397   2HG   LYS  51          2HG       LYS  51 -22.032  -9.313  -4.709
  398   1HD   LYS  51          1HD       LYS  51 -22.221  -9.684  -2.021
  399   2HD   LYS  51          2HD       LYS  51 -22.508  -7.957  -2.072
  400   1HE   LYS  51          1HE       LYS  51 -24.162  -8.682  -4.092
  401   2HE   LYS  51          2HE       LYS  51 -24.171 -10.195  -3.207
  402   1HZ   LYS  51          1HZ       LYS  51 -24.631  -8.737  -1.206
  403   2HZ   LYS  51          2HZ       LYS  51 -25.008  -7.558  -2.270
  404   3HZ   LYS  51          3HZ       LYS  51 -25.851  -8.957  -2.267
  405    H    LYS  52           H        LYS  52 -17.772  -9.337  -5.175
  406    HA   LYS  52           HA       LYS  52 -16.046 -11.597  -4.554
  407   1HB   LYS  52          1HB       LYS  52 -16.150  -9.618  -6.616
  408   2HB   LYS  52          2HB       LYS  52 -14.639  -9.415  -5.753
  409   1HG   LYS  52          1HG       LYS  52 -14.278 -11.940  -5.966
  410   2HG   LYS  52          2HG       LYS  52 -15.686 -11.992  -7.009
  411   1HD   LYS  52          1HD       LYS  52 -13.565  -9.965  -7.679
  412   2HD   LYS  52          2HD       LYS  52 -13.176 -11.649  -7.971
  413   1HE   LYS  52          1HE       LYS  52 -15.840 -10.583  -8.934
  414   2HE   LYS  52          2HE       LYS  52 -14.395 -10.189  -9.844
  415   1HZ   LYS  52          1HZ       LYS  52 -14.027 -12.755  -9.538
  416   2HZ   LYS  52          2HZ       LYS  52 -15.657 -12.754  -9.456
  417   3HZ   LYS  52          3HZ       LYS  52 -14.906 -12.152 -10.775
  418    H    LEU  53           H        LEU  53 -14.785 -11.672  -2.769
  419    HA   LEU  53           HA       LEU  53 -14.846  -9.377  -1.016
  420   1HB   LEU  53          1HB       LEU  53 -14.788 -12.162  -0.706
  421   2HB   LEU  53          2HB       LEU  53 -13.233 -11.603  -0.120
  422    HG   LEU  53           HG       LEU  53 -15.028 -11.812   1.618
  423   1HD1  LEU  53          1HD1      LEU  53 -13.800  -9.068   1.231
  424   2HD1  LEU  53          2HD1      LEU  53 -14.483  -9.691   2.752
  425   3HD1  LEU  53          3HD1      LEU  53 -13.053 -10.470   2.035
  426   1HD2  LEU  53          1HD2      LEU  53 -16.722 -10.705  -0.113
  427   2HD2  LEU  53          2HD2      LEU  53 -16.939 -10.578   1.649
  428   3HD2  LEU  53          3HD2      LEU  53 -16.221  -9.226   0.741
  429    H    GLN  54           H        GLN  54 -13.630  -8.210  -2.917
  430    HA   GLN  54           HA       GLN  54 -10.818  -8.845  -2.865
  431   1HB   GLN  54          1HB       GLN  54 -11.741  -8.383  -5.053
  432   2HB   GLN  54          2HB       GLN  54 -12.490  -6.898  -4.501
  433   1HG   GLN  54          1HG       GLN  54 -10.580  -5.702  -4.821
  434   2HG   GLN  54          2HG       GLN  54  -9.611  -6.872  -3.948
  435   1HE2  GLN  54          2HE2      GLN  54  -9.972  -6.953  -8.052
  436   2HE2  GLN  54          1HE2      GLN  54 -11.003  -5.998  -7.040
  437    H    ILE  55           H        ILE  55  -9.218  -7.542  -1.926
  438    HA   ILE  55           HA       ILE  55 -10.010  -4.972  -0.850
  439    HB   ILE  55           HB       ILE  55  -9.674  -5.411   1.369
  440   1HG1  ILE  55          1HG1      ILE  55  -7.458  -6.574   0.941
  441   2HG1  ILE  55          2HG1      ILE  55  -8.370  -7.111   2.337
  442   1HG2  ILE  55          2HG2      ILE  55 -11.725  -6.506   0.557
  443   2HG2  ILE  55          3HG2      ILE  55 -10.822  -8.027   0.354
  444   3HG2  ILE  55          1HG2      ILE  55 -11.035  -7.327   1.977
  445   1HD1  ILE  55          3HD1      ILE  55  -8.493  -8.485  -0.385
  446   2HD1  ILE  55          1HD1      ILE  55  -7.427  -8.998   0.945
  447   3HD1  ILE  55          2HD1      ILE  55  -9.195  -9.073   1.142
  448    H    GLN  56           H        GLN  56  -8.108  -3.685  -0.172
  449    HA   GLN  56           HA       GLN  56  -5.686  -4.737  -1.414
  450   1HB   GLN  56          1HB       GLN  56  -6.436  -3.057  -2.919
  451   2HB   GLN  56          2HB       GLN  56  -6.957  -1.993  -1.627
  452   1HG   GLN  56          1HG       GLN  56  -4.051  -2.708  -1.605
  453   2HG   GLN  56          2HG       GLN  56  -4.573  -1.728  -2.962
  454   1HE2  GLN  56          2HE2      GLN  56  -3.505   0.468  -0.141
  455   2HE2  GLN  56          1HE2      GLN  56  -2.799  -0.814  -1.066
  456    H    CYS  57           H        CYS  57  -3.684  -4.244  -0.364
  457    HA   CYS  57           HA       CYS  57  -3.840  -2.673   2.061
  458   1HB   CYS  57          1HB       CYS  57  -2.461  -4.693   3.138
  459   2HB   CYS  57          2HB       CYS  57  -4.205  -4.566   3.269
  460    HG   CYS  57           HG       CYS  57  -3.371  -7.057   2.724
  461    H    VAL  58           H        VAL  58  -1.621  -2.086   2.815
  462    HA   VAL  58           HA       VAL  58   0.297  -2.303   0.603
  463    HB   VAL  58           HB       VAL  58   0.143  -0.221   2.789
  464   1HG1  VAL  58          3HG1      VAL  58   2.294  -0.849   1.272
  465   2HG1  VAL  58          1HG1      VAL  58   1.490   0.320   0.197
  466   3HG1  VAL  58          2HG1      VAL  58   1.943   0.796   1.852
  467   1HG2  VAL  58          2HG2      VAL  58  -1.377  -0.500   0.291
  468   2HG2  VAL  58          3HG2      VAL  58  -1.661   0.553   1.698
  469   3HG2  VAL  58          1HG2      VAL  58  -0.516   1.053   0.431
  470    H    VAL  59           H        VAL  59   0.872  -4.479   1.439
  471    HA   VAL  59           HA       VAL  59   2.098  -4.542   4.049
  472    HB   VAL  59           HB       VAL  59   2.191  -6.845   3.768
  473   1HG1  VAL  59          2HG1      VAL  59  -0.122  -5.992   3.889
  474   2HG1  VAL  59          3HG1      VAL  59  -0.200  -5.966   2.112
  475   3HG1  VAL  59          1HG1      VAL  59  -0.022  -7.514   2.972
  476   1HG2  VAL  59          2HG2      VAL  59   2.583  -6.188   0.920
  477   2HG2  VAL  59          3HG2      VAL  59   3.218  -7.541   1.888
  478   3HG2  VAL  59          1HG2      VAL  59   1.574  -7.626   1.211
  479    H    GLU  60           H        GLU  60   4.371  -5.541   4.228
  480    HA   GLU  60           HA       GLU  60   6.053  -3.952   2.543
  481   1HB   GLU  60          1HB       GLU  60   6.177  -5.045   5.201
  482   2HB   GLU  60          2HB       GLU  60   7.562  -5.654   4.315
  483   1HG   GLU  60          1HG       GLU  60   7.370  -2.920   3.575
  484   2HG   GLU  60          2HG       GLU  60   7.043  -2.943   5.297
  485    H    ASP  61           H        ASP  61   8.276  -5.129   1.888
  486    HA   ASP  61           HA       ASP  61   7.520  -7.697   0.732
  487   1HB   ASP  61          1HB       ASP  61   8.654  -5.232  -0.512
  488   2HB   ASP  61          2HB       ASP  61   9.448  -6.719  -0.991
  489    H    ASP  62           H        ASP  62   9.313  -6.244   3.057
  490    HA   ASP  62           HA       ASP  62  11.851  -7.421   2.406
  491   1HB   ASP  62          1HB       ASP  62  11.279  -5.151   3.702
  492   2HB   ASP  62          2HB       ASP  62  11.173  -6.210   5.095
  493    H    LYS  63           H        LYS  63   9.693  -7.391   5.354
  494    HA   LYS  63           HA       LYS  63  10.380 -10.222   5.734
  495   1HB   LYS  63          1HB       LYS  63  10.673  -7.986   7.482
  496   2HB   LYS  63          2HB       LYS  63   9.415  -9.010   8.145
  497   1HG   LYS  63          1HG       LYS  63  10.854 -10.783   8.528
  498   2HG   LYS  63          2HG       LYS  63  11.821 -10.451   7.106
  499   1HD   LYS  63          1HD       LYS  63  13.362  -9.405   8.393
  500   2HD   LYS  63          2HD       LYS  63  12.168  -8.209   8.854
  501   1HE   LYS  63          1HE       LYS  63  12.311  -9.018  10.973
  502   2HE   LYS  63          2HE       LYS  63  11.473 -10.449  10.407
  503   1HZ   LYS  63          1HZ       LYS  63  13.998 -10.890   9.631
  504   2HZ   LYS  63          2HZ       LYS  63  14.223 -10.117  11.051
  505   3HZ   LYS  63          3HZ       LYS  63  13.326 -11.481  10.997
  506    H    VAL  64           H        VAL  64   7.891  -7.794   5.265
  507    HA   VAL  64           HA       VAL  64   5.785  -9.546   6.170
  508    HB   VAL  64           HB       VAL  64   5.633  -6.910   4.699
  509   1HG1  VAL  64          1HG1      VAL  64   3.589  -8.486   4.891
  510   2HG1  VAL  64          2HG1      VAL  64   3.589  -8.036   6.613
  511   3HG1  VAL  64          3HG1      VAL  64   3.393  -6.782   5.367
  512   1HG2  VAL  64          2HG2      VAL  64   6.980  -6.650   6.729
  513   2HG2  VAL  64          3HG2      VAL  64   5.398  -5.854   6.910
  514   3HG2  VAL  64          1HG2      VAL  64   5.699  -7.424   7.693
  515    H    GLY  65           H        GLY  65   4.108 -10.400   4.772
  516   1HA   GLY  65          1HA       GLY  65   4.485 -10.298   1.913
  517   2HA   GLY  65          2HA       GLY  65   4.918 -11.837   2.629
  518    H    THR  66           H        THR  66   2.848 -11.870   0.842
  519    HA   THR  66           HA       THR  66   0.323 -11.446   2.110
  520    HB   THR  66           HB       THR  66   1.355 -12.659  -0.482
  521    HG1  THR  66          1HG       THR  66   0.531 -10.674  -1.142
  522   1HG2  THR  66          1HG2      THR  66  -1.317 -13.050   0.809
  523   2HG2  THR  66          2HG2      THR  66  -1.364 -12.417  -0.854
  524   3HG2  THR  66          3HG2      THR  66  -0.557 -13.967  -0.514
  525    H    ASP  67           H        ASP  67   2.683 -14.052   2.019
  526    HA   ASP  67           HA       ASP  67   1.232 -16.251   2.340
  527   1HB   ASP  67          1HB       ASP  67   3.085 -16.694   4.294
  528   2HB   ASP  67          2HB       ASP  67   3.450 -16.784   2.582
  529    H    MET  68           H        MET  68   2.532 -14.455   5.238
  530    HA   MET  68           HA       MET  68   1.046 -15.595   7.134
  531   1HB   MET  68          1HB       MET  68   2.817 -13.557   7.078
  532   2HB   MET  68          2HB       MET  68   1.370 -12.576   7.193
  533   1HG   MET  68          1HG       MET  68   1.133 -14.722   9.114
  534   2HG   MET  68          2HG       MET  68   2.724 -14.010   9.300
  535   1HE   MET  68          2HE       MET  68  -0.718 -14.078   9.716
  536   2HE   MET  68          3HE       MET  68  -0.999 -12.855  10.979
  537   3HE   MET  68          1HE       MET  68  -1.337 -12.468   9.274
  538    H    LEU  69           H        LEU  69   0.111 -12.413   5.619
  539    HA   LEU  69           HA       LEU  69  -2.345 -12.150   6.717
  540   1HB   LEU  69          1HB       LEU  69  -1.250 -11.393   4.025
  541   2HB   LEU  69          2HB       LEU  69  -2.904 -11.014   4.460
  542    HG   LEU  69           HG       LEU  69  -0.445 -10.106   5.983
  543   1HD1  LEU  69          2HD1      LEU  69  -0.963  -9.162   3.604
  544   2HD1  LEU  69          3HD1      LEU  69  -2.255  -8.272   4.445
  545   3HD1  LEU  69          1HD1      LEU  69  -0.558  -8.055   4.936
  546   1HD2  LEU  69          3HD2      LEU  69  -3.391  -9.560   6.391
  547   2HD2  LEU  69          1HD2      LEU  69  -2.232 -10.283   7.533
  548   3HD2  LEU  69          2HD2      LEU  69  -2.100  -8.561   7.100
  549    H    GLU  70           H        GLU  70  -1.473 -14.079   3.783
  550    HA   GLU  70           HA       GLU  70  -4.069 -14.841   3.209
  551   1HB   GLU  70          1HB       GLU  70  -2.278 -15.088   1.579
  552   2HB   GLU  70          2HB       GLU  70  -1.393 -16.178   2.628
  553   1HG   GLU  70          1HG       GLU  70  -3.632 -17.624   2.525
  554   2HG   GLU  70          2HG       GLU  70  -3.935 -16.697   1.069
  555    H    GLU  71           H        GLU  71  -1.471 -16.491   5.130
  556    HA   GLU  71           HA       GLU  71  -2.939 -18.747   5.710
  557   1HB   GLU  71          1HB       GLU  71  -0.503 -17.409   6.759
  558   2HB   GLU  71          2HB       GLU  71  -1.303 -18.450   7.919
  559   1HG   GLU  71          1HG       GLU  71  -0.995 -19.566   5.155
  560   2HG   GLU  71          2HG       GLU  71   0.487 -19.359   6.066
  561    H    GLN  72           H        GLN  72  -3.444 -15.496   6.692
  562    HA   GLN  72           HA       GLN  72  -4.819 -16.353   9.101
  563   1HB   GLN  72          1HB       GLN  72  -3.187 -14.458   9.260
  564   2HB   GLN  72          2HB       GLN  72  -4.158 -13.539   8.128
  565   1HG   GLN  72          1HG       GLN  72  -5.672 -12.955   9.731
  566   2HG   GLN  72          2HG       GLN  72  -5.793 -14.596  10.333
  567   1HE2  GLN  72          2HE2      GLN  72  -4.185 -13.750  13.268
  568   2HE2  GLN  72          1HE2      GLN  72  -5.489 -14.523  12.428
  569    H    ILE  73           H        ILE  73  -5.277 -14.417   6.070
  570    HA   ILE  73           HA       ILE  73  -8.032 -14.004   6.505
  571    HB   ILE  73           HB       ILE  73  -6.456 -13.930   3.930
  572   1HG1  ILE  73          1HG1      ILE  73  -7.063 -11.468   5.505
  573   2HG1  ILE  73          2HG1      ILE  73  -5.770 -12.500   6.084
  574   1HG2  ILE  73          2HG2      ILE  73  -9.245 -13.455   4.562
  575   2HG2  ILE  73          3HG2      ILE  73  -8.470 -11.997   3.898
  576   3HG2  ILE  73          1HG2      ILE  73  -8.424 -13.523   2.984
  577   1HD1  ILE  73          2HD1      ILE  73  -4.689 -12.421   3.837
  578   2HD1  ILE  73          3HD1      ILE  73  -5.998 -11.362   3.259
  579   3HD1  ILE  73          1HD1      ILE  73  -4.888 -10.793   4.529
  580    H    THR  74           H        THR  74  -6.227 -16.271   4.310
  581    HA   THR  74           HA       THR  74  -8.619 -17.681   3.645
  582    HB   THR  74           HB       THR  74  -7.140 -18.932   2.237
  583    HG1  THR  74          1HG       THR  74  -5.189 -18.024   4.232
  584   1HG2  THR  74          3HG2      THR  74  -6.960 -16.257   2.021
  585   2HG2  THR  74          1HG2      THR  74  -5.310 -16.555   2.618
  586   3HG2  THR  74          2HG2      THR  74  -5.861 -17.317   1.106
  587    H    ALA  75           H        ALA  75  -6.840 -17.535   6.495
  588    HA   ALA  75           HA       ALA  75  -6.654 -20.220   7.218
  589   1HB   ALA  75          1HB       ALA  75  -6.094 -17.706   8.323
  590   2HB   ALA  75          2HB       ALA  75  -7.294 -18.417   9.428
  591   3HB   ALA  75          3HB       ALA  75  -5.782 -19.289   9.074
  592    H    PHE  76           H        PHE  76  -9.402 -18.123   6.747
  593    HA   PHE  76           HA       PHE  76 -11.092 -19.800   8.416
  594   1HB   PHE  76          1HB       PHE  76 -11.025 -17.071   7.276
  595   2HB   PHE  76          2HB       PHE  76 -12.561 -17.838   6.928
  596    HD1  PHE  76          1HD       PHE  76 -13.111 -19.405   9.309
  597    HD2  PHE  76          2HD       PHE  76 -11.376 -15.547   8.976
  598    HE1  PHE  76          1HE       PHE  76 -13.915 -18.844  11.620
  599    HE2  PHE  76          2HE       PHE  76 -12.179 -14.986  11.287
  600    HZ   PHE  76           HZ       PHE  76 -13.439 -16.641  12.581
  601    H    GLU  77           H        GLU  77 -10.997 -21.772   7.155
  602    HA   GLU  77           HA       GLU  77 -11.789 -21.642   4.425
  603   1HB   GLU  77          1HB       GLU  77 -10.781 -23.689   6.313
  604   2HB   GLU  77          2HB       GLU  77 -11.940 -24.317   5.158
  605   1HG   GLU  77          1HG       GLU  77 -10.549 -23.093   3.336
  606   2HG   GLU  77          2HG       GLU  77  -9.320 -22.880   4.567
  607    H    ASP  78           H        ASP  78 -13.465 -21.307   7.299
  608    HA   ASP  78           HA       ASP  78 -15.727 -22.880   6.462
  609   1HB   ASP  78          1HB       ASP  78 -14.763 -21.622   8.949
  610   2HB   ASP  78          2HB       ASP  78 -16.469 -21.321   8.690
  611    H    TYR  79           H        TYR  79 -14.507 -20.176   5.274
  612    HA   TYR  79           HA       TYR  79 -17.101 -18.954   4.837
  613   1HB   TYR  79          1HB       TYR  79 -14.591 -17.675   6.072
  614   2HB   TYR  79          2HB       TYR  79 -15.838 -16.692   5.331
  615    HD1  TYR  79          2HD       TYR  79 -18.153 -16.661   6.326
  616    HD2  TYR  79          1HD       TYR  79 -14.855 -18.562   8.279
  617    HE1  TYR  79          2HE       TYR  79 -19.431 -16.636   8.524
  618    HE2  TYR  79          1HE       TYR  79 -16.144 -18.530  10.470
  619    HH   TYR  79           HH       TYR  79 -19.222 -16.855  10.727
  620    H    VAL  80           H        VAL  80 -13.535 -18.940   4.242
  621    HA   VAL  80           HA       VAL  80 -13.938 -17.686   1.673
  622    HB   VAL  80           HB       VAL  80 -11.480 -18.771   3.063
  623   1HG1  VAL  80          3HG1      VAL  80 -11.433 -18.630   0.504
  624   2HG1  VAL  80          1HG1      VAL  80 -11.519 -16.865   0.715
  625   3HG1  VAL  80          2HG1      VAL  80 -10.146 -17.776   1.390
  626   1HG2  VAL  80          2HG2      VAL  80 -12.951 -16.214   3.217
  627   2HG2  VAL  80          3HG2      VAL  80 -11.817 -16.961   4.367
  628   3HG2  VAL  80          1HG2      VAL  80 -11.196 -16.053   2.968
  629    H    GLN  81           H        GLN  81 -14.177 -18.727  -0.249
  630    HA   GLN  81           HA       GLN  81 -14.281 -21.585  -0.133
  631   1HB   GLN  81          1HB       GLN  81 -15.968 -20.059  -1.334
  632   2HB   GLN  81          2HB       GLN  81 -14.742 -19.807  -2.560
  633   1HG   GLN  81          1HG       GLN  81 -14.760 -22.595  -2.247
  634   2HG   GLN  81          2HG       GLN  81 -16.450 -22.168  -2.076
  635   1HE2  GLN  81          2HE2      GLN  81 -14.527 -22.038  -5.665
  636   2HE2  GLN  81          1HE2      GLN  81 -13.778 -22.509  -4.175
  637    H    SER  82           H        SER  82 -12.243 -18.994  -1.518
  638    HA   SER  82           HA       SER  82 -10.044 -20.656  -1.683
  639   1HB   SER  82          1HB       SER  82 -11.673 -20.399  -4.205
  640   2HB   SER  82          2HB       SER  82  -9.927 -20.380  -4.352
  641    HG   SER  82           HG       SER  82 -10.744 -22.543  -4.524
  642    H    MET  83           H        MET  83  -8.234 -19.318  -1.709
  643    HA   MET  83           HA       MET  83  -8.794 -16.532  -2.331
  644   1HB   MET  83          1HB       MET  83  -7.996 -16.853  -0.052
  645   2HB   MET  83          2HB       MET  83  -6.738 -17.957  -0.571
  646   1HG   MET  83          1HG       MET  83  -6.726 -15.129  -1.649
  647   2HG   MET  83          2HG       MET  83  -6.167 -15.408  -0.013
  648   1HE   MET  83          3HE       MET  83  -4.192 -14.666  -0.151
  649   2HE   MET  83          1HE       MET  83  -2.797 -15.730  -0.455
  650   3HE   MET  83          2HE       MET  83  -3.310 -14.560  -1.694
  651    H    ASP  84           H        ASP  84  -7.183 -15.261  -3.522
  652    HA   ASP  84           HA       ASP  84  -5.094 -16.739  -4.798
  653   1HB   ASP  84          1HB       ASP  84  -7.583 -15.811  -6.210
  654   2HB   ASP  84          2HB       ASP  84  -6.064 -15.571  -7.052
  655    H    VAL  85           H        VAL  85  -4.325 -14.889  -6.749
  656    HA   VAL  85           HA       VAL  85  -4.046 -12.422  -5.179
  657    HB   VAL  85           HB       VAL  85  -2.220 -13.964  -6.984
  658   1HG1  VAL  85          1HG1      VAL  85  -2.324 -11.687  -7.946
  659   2HG1  VAL  85          2HG1      VAL  85  -1.896 -11.009  -6.357
  660   3HG1  VAL  85          3HG1      VAL  85  -0.736 -12.044  -7.224
  661   1HG2  VAL  85          2HG2      VAL  85  -2.122 -12.790  -4.213
  662   2HG2  VAL  85          3HG2      VAL  85  -1.769 -14.449  -4.757
  663   3HG2  VAL  85          1HG2      VAL  85  -0.614 -13.136  -5.096
  664    H    ALA  86           H        ALA  86  -4.774 -10.518  -6.037
  665    HA   ALA  86           HA       ALA  86  -6.080 -10.720  -8.633
  666   1HB   ALA  86          3HB       ALA  86  -6.677  -9.489  -6.144
  667   2HB   ALA  86          1HB       ALA  86  -6.385  -8.170  -7.303
  668   3HB   ALA  86          2HB       ALA  86  -7.616  -9.407  -7.654
  669    H    ALA  87           H        ALA  87  -3.189  -9.518  -7.092
  670    HA   ALA  87           HA       ALA  87  -2.031  -8.765  -9.505
  671   1HB   ALA  87          1HB       ALA  87  -3.840  -6.871  -8.924
  672   2HB   ALA  87          2HB       ALA  87  -2.506  -6.275  -7.906
  673   3HB   ALA  87          3HB       ALA  87  -2.266  -6.479  -9.658
  674    H    PHE  88           H        PHE  88   0.173  -7.775  -9.121
  675    HA   PHE  88           HA       PHE  88   1.058  -7.822  -6.375
  676   1HB   PHE  88          1HB       PHE  88   1.163 -10.130  -8.054
  677   2HB   PHE  88          2HB       PHE  88   2.779  -9.460  -8.154
  678    HD1  PHE  88          1HD       PHE  88   0.206 -10.440  -5.642
  679    HD2  PHE  88          2HD       PHE  88   4.334  -9.985  -6.513
  680    HE1  PHE  88          1HE       PHE  88   0.787 -11.512  -3.448
  681    HE2  PHE  88          2HE       PHE  88   4.916 -11.057  -4.320
  682    HZ   PHE  88           HZ       PHE  88   3.135 -11.808  -2.813
  683    H    ASN  89           H        ASN  89   1.587  -5.602  -6.730
  684    HA   ASN  89           HA       ASN  89   4.012  -5.326  -8.282
  685   1HB   ASN  89          1HB       ASN  89   1.404  -3.919  -8.776
  686   2HB   ASN  89          2HB       ASN  89   2.829  -2.898  -8.809
  687   1HD2  ASN  89          2HD2      ASN  89   2.557  -3.847 -12.260
  688   2HD2  ASN  89          1HD2      ASN  89   1.917  -2.761 -11.073
  689    H    LYS  90           H        LYS  90   4.581  -2.656  -7.871
  690    HA   LYS  90           HA       LYS  90   4.812  -2.534  -4.998
  691   1HB   LYS  90          1HB       LYS  90   6.152  -0.396  -5.714
  692   2HB   LYS  90          2HB       LYS  90   6.831  -1.996  -5.943
  693   1HG   LYS  90          1HG       LYS  90   5.151  -0.860  -8.174
  694   2HG   LYS  90          2HG       LYS  90   6.749  -0.183  -7.937
  695   1HD   LYS  90          1HD       LYS  90   7.841  -2.198  -8.457
  696   2HD   LYS  90          2HD       LYS  90   6.480  -3.190  -7.968
  697   1HE   LYS  90          1HE       LYS  90   5.891  -3.333 -10.156
  698   2HE   LYS  90          2HE       LYS  90   5.460  -1.635 -10.094
  699   1HZ   LYS  90          3HZ       LYS  90   8.204  -1.775 -10.333
  700   2HZ   LYS  90          1HZ       LYS  90   7.592  -2.820 -11.429
  701   3HZ   LYS  90          2HZ       LYS  90   7.131  -1.253 -11.449
  702    H    ILE  91           H        ILE  91   4.080  -0.860  -3.705
  703    HA   ILE  91           HA       ILE  91   1.558   0.319  -4.617
  704    HB   ILE  91           HB       ILE  91   1.616  -0.686  -2.414
  705   1HG1  ILE  91          1HG1      ILE  91   1.479   1.745  -1.106
  706   2HG1  ILE  91          2HG1      ILE  91   1.221   2.219  -2.802
  707   1HG2  ILE  91          1HG2      ILE  91   4.234   0.547  -2.359
  708   2HG2  ILE  91          2HG2      ILE  91   3.297   1.078  -0.942
  709   3HG2  ILE  91          3HG2      ILE  91   3.545  -0.659  -1.246
  710   1HD1  ILE  91          3HD1      ILE  91  -0.544   0.468  -2.997
  711   2HD1  ILE  91          1HD1      ILE  91  -0.314   0.070  -1.277
  712   3HD1  ILE  91          2HD1      ILE  91  -0.931   1.674  -1.744
   
  No H/Q in entry =         712
  Start of MODEL   20
    1   1H    MET   1          3HN       MET   1  13.410   6.284   6.891
    2   2H    MET   1           H        MET   1  13.076   7.197   8.231
    3   3H    MET   1          2HN       MET   1  14.610   6.627   7.977
    4    HA   MET   1           HA       MET   1  14.101   4.494   8.477
    5   1HB   MET   1          1HB       MET   1  12.885   6.597  10.210
    6   2HB   MET   1          2HB       MET   1  12.422   4.912  10.551
    7   1HG   MET   1          1HG       MET   1  14.760   4.259  10.725
    8   2HG   MET   1          2HG       MET   1  15.285   5.881  10.243
    9   1HE   MET   1          2HE       MET   1  15.723   3.725  12.586
   10   2HE   MET   1          3HE       MET   1  15.574   4.447  14.206
   11   3HE   MET   1          1HE       MET   1  14.174   3.644  13.458
   12    H    LEU   2           H        LEU   2  12.771   2.713   8.067
   13    HA   LEU   2           HA       LEU   2  11.058   1.592   7.238
   14   1HB   LEU   2          1HB       LEU   2   9.775   3.612   8.999
   15   2HB   LEU   2          2HB       LEU   2   8.727   2.724   7.912
   16    HG   LEU   2           HG       LEU   2   8.816   1.686  10.115
   17   1HD1  LEU   2          1HD1      LEU   2   8.751   0.380   7.830
   18   2HD1  LEU   2          2HD1      LEU   2  10.318  -0.248   8.395
   19   3HD1  LEU   2          3HD1      LEU   2   8.856  -0.485   9.381
   20   1HD2  LEU   2          1HD2      LEU   2  11.261   2.480  10.474
   21   2HD2  LEU   2          2HD2      LEU   2  10.726   0.944  11.196
   22   3HD2  LEU   2          3HD2      LEU   2  11.698   0.936   9.705
   23    H    VAL   3           H        VAL   3  11.322   1.700   5.033
   24    HA   VAL   3           HA       VAL   3   9.520   3.487   3.664
   25    HB   VAL   3           HB       VAL   3  11.852   4.600   4.083
   26   1HG1  VAL   3          1HG1      VAL   3  12.989   2.480   3.114
   27   2HG1  VAL   3          2HG1      VAL   3  12.544   3.154   1.528
   28   3HG1  VAL   3          3HG1      VAL   3  13.601   4.078   2.623
   29   1HG2  VAL   3          3HG2      VAL   3   9.833   4.852   2.123
   30   2HG2  VAL   3          1HG2      VAL   3  11.024   6.075   2.630
   31   3HG2  VAL   3          2HG2      VAL   3  11.384   4.995   1.262
   32    H    ALA   4           H        ALA   4   9.767   2.988   1.151
   33    HA   ALA   4           HA       ALA   4   9.806   1.505  -0.505
   34   1HB   ALA   4          3HB       ALA   4  11.992   0.741   0.960
   35   2HB   ALA   4          1HB       ALA   4  11.017  -0.748   0.996
   36   3HB   ALA   4          2HB       ALA   4  11.486  -0.027  -0.564
   37    H    LYS   5           H        LYS   5   7.461   1.588  -0.151
   38    HA   LYS   5           HA       LYS   5   6.437  -0.769   1.253
   39   1HB   LYS   5          1HB       LYS   5   5.218   1.908   0.565
   40   2HB   LYS   5          2HB       LYS   5   4.233   0.536   1.030
   41   1HG   LYS   5          1HG       LYS   5   6.592   1.457   2.721
   42   2HG   LYS   5          2HG       LYS   5   4.994   2.150   2.915
   43   1HD   LYS   5          1HD       LYS   5   4.539  -0.639   2.891
   44   2HD   LYS   5          2HD       LYS   5   6.013  -0.454   3.820
   45   1HE   LYS   5          1HE       LYS   5   3.378   1.004   4.342
   46   2HE   LYS   5          2HE       LYS   5   4.024  -0.318   5.294
   47   1HZ   LYS   5          3HZ       LYS   5   6.004   1.148   5.637
   48   2HZ   LYS   5          1HZ       LYS   5   5.132   2.379   5.012
   49   3HZ   LYS   5          2HZ       LYS   5   4.631   1.634   6.377
   50    H    SER   6           H        SER   6   4.266  -1.582   0.145
   51    HA   SER   6           HA       SER   6   4.374  -1.382  -2.703
   52   1HB   SER   6          1HB       SER   6   6.036  -3.134  -2.392
   53   2HB   SER   6          2HB       SER   6   5.003  -3.996  -1.269
   54    HG   SER   6           HG       SER   6   3.565  -4.519  -2.963
   55    H    SER   7           H        SER   7   2.521  -2.825  -3.678
   56    HA   SER   7           HA       SER   7   0.360  -2.839  -1.719
   57   1HB   SER   7          1HB       SER   7   0.419  -1.236  -3.860
   58   2HB   SER   7          2HB       SER   7  -0.157  -2.670  -4.687
   59    HG   SER   7           HG       SER   7  -1.919  -1.348  -3.915
   60    H    ILE   8           H        ILE   8  -1.167  -4.621  -1.803
   61    HA   ILE   8           HA       ILE   8  -0.542  -6.770  -3.652
   62    HB   ILE   8           HB       ILE   8  -0.425  -7.090  -0.651
   63   1HG1  ILE   8          1HG1      ILE   8   1.903  -8.055  -1.416
   64   2HG1  ILE   8          2HG1      ILE   8   1.651  -7.036  -2.820
   65   1HG2  ILE   8          2HG2      ILE   8  -1.158  -8.965  -2.704
   66   2HG2  ILE   8          3HG2      ILE   8   0.384  -9.453  -1.962
   67   3HG2  ILE   8          1HG2      ILE   8  -1.051  -9.196  -0.942
   68   1HD1  ILE   8          3HD1      ILE   8   0.959  -5.522  -0.449
   69   2HD1  ILE   8          1HD1      ILE   8   2.571  -6.247  -0.235
   70   3HD1  ILE   8          2HD1      ILE   8   2.244  -5.201  -1.638
   71    H    LEU   9           H        LEU   9  -2.511  -6.761  -4.660
   72    HA   LEU   9           HA       LEU   9  -4.892  -6.445  -3.050
   73   1HB   LEU   9          1HB       LEU   9  -4.404  -5.391  -5.340
   74   2HB   LEU   9          2HB       LEU   9  -4.752  -6.974  -6.009
   75    HG   LEU   9           HG       LEU   9  -6.993  -6.781  -4.681
   76   1HD1  LEU   9          1HD1      LEU   9  -6.128  -4.672  -3.501
   77   2HD1  LEU   9          2HD1      LEU   9  -6.493  -3.828  -5.025
   78   3HD1  LEU   9          3HD1      LEU   9  -7.794  -4.654  -4.132
   79   1HD2  LEU   9          2HD2      LEU   9  -6.251  -5.422  -7.256
   80   2HD2  LEU   9          3HD2      LEU   9  -7.181  -6.915  -6.983
   81   3HD2  LEU   9          1HD2      LEU   9  -7.915  -5.332  -6.633
   82    H    LEU  10           H        LEU  10  -6.245  -8.064  -2.395
   83    HA   LEU  10           HA       LEU  10  -5.601 -10.746  -3.406
   84   1HB   LEU  10          1HB       LEU  10  -5.998  -9.731  -0.627
   85   2HB   LEU  10          2HB       LEU  10  -6.557 -11.346  -1.014
   86    HG   LEU  10           HG       LEU  10  -4.209 -11.825  -1.881
   87   1HD1  LEU  10          3HD1      LEU  10  -3.903  -9.033  -1.245
   88   2HD1  LEU  10          1HD1      LEU  10  -2.764 -10.008  -0.286
   89   3HD1  LEU  10          2HD1      LEU  10  -2.775 -10.142  -2.060
   90   1HD2  LEU  10          1HD2      LEU  10  -5.234 -11.700   0.828
   91   2HD2  LEU  10          2HD2      LEU  10  -4.239 -12.945   0.037
   92   3HD2  LEU  10          3HD2      LEU  10  -3.461 -11.535   0.794
   93    H    ASP  11           H        ASP  11  -7.420 -12.239  -3.546
   94    HA   ASP  11           HA       ASP  11  -9.987 -10.883  -3.452
   95   1HB   ASP  11          1HB       ASP  11  -8.608 -11.590  -5.830
   96   2HB   ASP  11          2HB       ASP  11  -9.816 -12.844  -5.630
   97    H    VAL  12           H        VAL  12 -11.506 -12.190  -2.390
   98    HA   VAL  12           HA       VAL  12 -10.849 -15.048  -2.180
   99    HB   VAL  12           HB       VAL  12 -12.093 -13.219  -0.116
  100   1HG1  VAL  12          2HG1      VAL  12 -12.979 -15.580  -0.159
  101   2HG1  VAL  12          3HG1      VAL  12 -11.326 -16.137   0.194
  102   3HG1  VAL  12          1HG1      VAL  12 -12.185 -15.102   1.360
  103   1HG2  VAL  12          1HG2      VAL  12  -9.605 -12.983  -0.512
  104   2HG2  VAL  12          2HG2      VAL  12 -10.077 -13.442   1.142
  105   3HG2  VAL  12          3HG2      VAL  12  -9.435 -14.672   0.026
  106    H    LYS  13           H        LYS  13 -12.663 -16.517  -2.169
  107    HA   LYS  13           HA       LYS  13 -15.069 -15.282  -3.320
  108   1HB   LYS  13          1HB       LYS  13 -13.557 -16.824  -4.759
  109   2HB   LYS  13          2HB       LYS  13 -14.215 -18.134  -3.800
  110   1HG   LYS  13          1HG       LYS  13 -16.253 -16.213  -4.820
  111   2HG   LYS  13          2HG       LYS  13 -15.405 -17.101  -6.071
  112   1HD   LYS  13          1HD       LYS  13 -15.969 -19.255  -4.927
  113   2HD   LYS  13          2HD       LYS  13 -16.813 -18.369  -3.674
  114   1HE   LYS  13          1HE       LYS  13 -18.597 -18.905  -5.086
  115   2HE   LYS  13          2HE       LYS  13 -18.172 -17.321  -5.702
  116   1HZ   LYS  13          1HZ       LYS  13 -16.877 -19.677  -6.822
  117   2HZ   LYS  13          2HZ       LYS  13 -18.388 -19.286  -7.304
  118   3HZ   LYS  13          3HZ       LYS  13 -17.162 -18.230  -7.523
  119    HA   PRO  14           HA       PRO  14 -16.944 -16.820   0.290
  120   1HB   PRO  14          1HB       PRO  14 -19.481 -15.935  -0.206
  121   2HB   PRO  14          2HB       PRO  14 -18.239 -14.929   0.513
  122   1HG   PRO  14          1HG       PRO  14 -19.302 -14.872  -2.244
  123   2HG   PRO  14          2HG       PRO  14 -18.396 -13.638  -1.391
  124   1HD   PRO  14          1HD       PRO  14 -17.395 -15.420  -3.405
  125   2HD   PRO  14          2HD       PRO  14 -16.465 -14.266  -2.469
  126    H    TRP  15           H        TRP  15 -17.719 -18.742   0.967
  127    HA   TRP  15           HA       TRP  15 -18.049 -20.756  -0.837
  128   1HB   TRP  15          1HB       TRP  15 -18.815 -20.317   1.996
  129   2HB   TRP  15          2HB       TRP  15 -19.596 -21.649   1.169
  130    HD1  TRP  15           HD       TRP  15 -16.618 -21.060   3.182
  131    HE1  TRP  15          1HE       TRP  15 -14.738 -22.891   2.913
  132    HE3  TRP  15          3HE       TRP  15 -18.493 -23.113  -1.075
  133    HZ2  TRP  15          2HZ       TRP  15 -14.256 -24.947   0.992
  134    HZ3  TRP  15          3HZ       TRP  15 -17.257 -25.029  -2.083
  135    HH2  TRP  15           HH       TRP  15 -15.208 -25.947  -1.118
  136    H    ASP  16           H        ASP  16 -20.388 -18.318   0.351
  137    HA   ASP  16           HA       ASP  16 -22.015 -18.777  -1.899
  138   1HB   ASP  16          1HB       ASP  16 -22.738 -20.002   0.721
  139   2HB   ASP  16          2HB       ASP  16 -24.024 -19.065  -0.012
  140    H    ASP  17           H        ASP  17 -24.345 -17.466  -1.202
  141    HA   ASP  17           HA       ASP  17 -23.473 -14.859  -0.815
  142   1HB   ASP  17          1HB       ASP  17 -25.659 -14.286  -1.309
  143   2HB   ASP  17          2HB       ASP  17 -25.687 -15.943  -1.879
  144    H    GLU  18           H        GLU  18 -24.367 -17.471   1.346
  145    HA   GLU  18           HA       GLU  18 -25.332 -15.950   3.476
  146   1HB   GLU  18          1HB       GLU  18 -25.284 -17.965   4.708
  147   2HB   GLU  18          2HB       GLU  18 -25.496 -18.503   3.054
  148   1HG   GLU  18          1HG       GLU  18 -22.984 -18.824   2.890
  149   2HG   GLU  18          2HG       GLU  18 -22.857 -18.413   4.589
  150    H    THR  19           H        THR  19 -22.054 -16.951   2.427
  151    HA   THR  19           HA       THR  19 -20.613 -16.432   4.707
  152    HB   THR  19           HB       THR  19 -20.071 -16.197   1.721
  153    HG1  THR  19          1HG       THR  19 -19.136 -18.214   2.243
  154   1HG2  THR  19          2HG2      THR  19 -18.523 -14.610   3.025
  155   2HG2  THR  19          3HG2      THR  19 -17.978 -16.033   3.945
  156   3HG2  THR  19          1HG2      THR  19 -17.693 -15.946   2.191
  157    H    ASP  20           H        ASP  20 -21.256 -14.743   6.001
  158    HA   ASP  20           HA       ASP  20 -22.080 -12.319   5.266
  159   1HB   ASP  20          1HB       ASP  20 -21.542 -13.429   7.630
  160   2HB   ASP  20          2HB       ASP  20 -20.042 -12.533   7.496
  161    H    MET  21           H        MET  21 -21.146 -10.512   4.257
  162    HA   MET  21           HA       MET  21 -18.453 -10.773   3.380
  163   1HB   MET  21          1HB       MET  21 -20.632  -8.644   3.064
  164   2HB   MET  21          2HB       MET  21 -19.041  -8.444   2.357
  165   1HG   MET  21          1HG       MET  21 -20.062 -11.097   1.708
  166   2HG   MET  21          2HG       MET  21 -21.256  -9.891   1.274
  167   1HE   MET  21          2HE       MET  21 -18.412 -11.826   0.262
  168   2HE   MET  21          3HE       MET  21 -19.702 -11.708  -0.959
  169   3HE   MET  21          1HE       MET  21 -18.060 -11.142  -1.344
  170    H    ALA  22           H        ALA  22 -20.243  -8.965   5.873
  171    HA   ALA  22           HA       ALA  22 -18.318  -7.001   6.380
  172   1HB   ALA  22          3HB       ALA  22 -20.860  -7.665   7.271
  173   2HB   ALA  22          1HB       ALA  22 -19.849  -7.953   8.707
  174   3HB   ALA  22          2HB       ALA  22 -19.843  -6.356   7.920
  175    H    LYS  23           H        LYS  23 -18.838 -10.322   7.715
  176    HA   LYS  23           HA       LYS  23 -16.697 -10.134   9.546
  177   1HB   LYS  23          1HB       LYS  23 -18.789 -11.751   9.380
  178   2HB   LYS  23          2HB       LYS  23 -17.675 -12.757   8.475
  179   1HG   LYS  23          1HG       LYS  23 -16.770 -13.465  10.427
  180   2HG   LYS  23          2HG       LYS  23 -16.199 -11.837  10.731
  181   1HD   LYS  23          1HD       LYS  23 -18.708 -11.428  11.546
  182   2HD   LYS  23          2HD       LYS  23 -18.729 -13.173  11.716
  183   1HE   LYS  23          1HE       LYS  23 -16.433 -12.800  13.004
  184   2HE   LYS  23          2HE       LYS  23 -17.004 -11.153  13.174
  185   1HZ   LYS  23          3HZ       LYS  23 -18.768 -13.372  13.856
  186   2HZ   LYS  23          1HZ       LYS  23 -17.636 -12.874  14.923
  187   3HZ   LYS  23          2HZ       LYS  23 -18.790 -11.836  14.412
  188    H    LEU  24           H        LEU  24 -17.041 -11.706   6.291
  189    HA   LEU  24           HA       LEU  24 -14.442 -12.626   6.123
  190   1HB   LEU  24          1HB       LEU  24 -16.708 -12.677   4.573
  191   2HB   LEU  24          2HB       LEU  24 -15.624 -11.698   3.605
  192    HG   LEU  24           HG       LEU  24 -15.020 -14.481   4.647
  193   1HD1  LEU  24          2HD1      LEU  24 -16.706 -13.799   2.575
  194   2HD1  LEU  24          3HD1      LEU  24 -15.157 -14.095   1.749
  195   3HD1  LEU  24          1HD1      LEU  24 -15.871 -15.358   2.780
  196   1HD2  LEU  24          3HD2      LEU  24 -13.195 -12.528   4.008
  197   2HD2  LEU  24          1HD2      LEU  24 -12.905 -14.284   3.958
  198   3HD2  LEU  24          2HD2      LEU  24 -13.365 -13.416   2.475
  199    H    GLU  25           H        GLU  25 -15.851  -9.401   5.405
  200    HA   GLU  25           HA       GLU  25 -13.419  -8.445   4.319
  201   1HB   GLU  25          1HB       GLU  25 -15.628  -7.520   3.671
  202   2HB   GLU  25          2HB       GLU  25 -15.891  -6.957   5.310
  203   1HG   GLU  25          1HG       GLU  25 -13.692  -5.615   5.053
  204   2HG   GLU  25          2HG       GLU  25 -13.767  -6.000   3.345
  205    H    GLU  26           H        GLU  26 -15.067  -8.345   7.512
  206    HA   GLU  26           HA       GLU  26 -13.291  -6.507   8.642
  207   1HB   GLU  26          1HB       GLU  26 -15.293  -6.692   9.824
  208   2HB   GLU  26          2HB       GLU  26 -15.360  -8.436   9.664
  209   1HG   GLU  26          1HG       GLU  26 -14.052  -8.802  11.529
  210   2HG   GLU  26          2HG       GLU  26 -13.020  -7.422  11.211
  211    H    CYS  27           H        CYS  27 -13.530 -10.129   8.874
  212    HA   CYS  27           HA       CYS  27 -11.519 -10.692  10.522
  213   1HB   CYS  27          1HB       CYS  27 -12.949 -12.362   9.370
  214   2HB   CYS  27          2HB       CYS  27 -12.026 -12.132   7.898
  215    HG   CYS  27           HG       CYS  27 -11.483 -13.840  10.515
  216    H    VAL  28           H        VAL  28 -11.165 -10.161   6.934
  217    HA   VAL  28           HA       VAL  28  -8.443 -10.348   6.776
  218    HB   VAL  28           HB       VAL  28 -10.497  -8.747   5.274
  219   1HG1  VAL  28          3HG1      VAL  28  -7.638  -8.313   5.254
  220   2HG1  VAL  28          1HG1      VAL  28  -8.185  -8.914   3.671
  221   3HG1  VAL  28          2HG1      VAL  28  -8.920  -7.452   4.370
  222   1HG2  VAL  28          2HG2      VAL  28  -9.742 -11.439   5.248
  223   2HG2  VAL  28          3HG2      VAL  28 -10.730 -10.592   4.035
  224   3HG2  VAL  28          1HG2      VAL  28  -8.971 -10.740   3.804
  225    H    ARG  29           H        ARG  29 -10.242  -7.189   6.921
  226    HA   ARG  29           HA       ARG  29  -8.152  -5.597   7.329
  227   1HB   ARG  29          1HB       ARG  29 -10.968  -5.404   7.603
  228   2HB   ARG  29          2HB       ARG  29 -10.344  -4.826   9.136
  229   1HG   ARG  29          1HG       ARG  29  -8.877  -3.206   7.964
  230   2HG   ARG  29          2HG       ARG  29  -9.399  -3.822   6.409
  231   1HD   ARG  29          1HD       ARG  29 -10.948  -2.132   6.519
  232   2HD   ARG  29          2HD       ARG  29 -11.840  -3.251   7.529
  233    HE   ARG  29           HE       ARG  29 -10.311  -0.891   8.444
  234   1HH1  ARG  29          2HH2      ARG  29 -12.040  -3.822   9.340
  235   2HH1  ARG  29          1HH2      ARG  29 -12.288  -3.327  10.981
  236   1HH2  ARG  29          2HH1      ARG  29 -10.637  -0.238  10.610
  237   2HH2  ARG  29          1HH1      ARG  29 -11.485  -1.274  11.708
  238    H    SER  30           H        SER  30 -10.021  -7.368   9.889
  239    HA   SER  30           HA       SER  30  -8.944  -6.426  12.116
  240   1HB   SER  30          1HB       SER  30  -9.748  -8.333  13.138
  241   2HB   SER  30          2HB       SER  30 -10.523  -8.522  11.577
  242    HG   SER  30           HG       SER  30  -8.049  -9.759  12.438
  243    H    ILE  31           H        ILE  31  -7.316  -8.395   9.647
  244    HA   ILE  31           HA       ILE  31  -5.164  -9.321  11.116
  245    HB   ILE  31           HB       ILE  31  -5.324  -8.500   8.215
  246   1HG1  ILE  31          1HG1      ILE  31  -5.585 -11.290   9.336
  247   2HG1  ILE  31          2HG1      ILE  31  -6.976 -10.239   9.164
  248   1HG2  ILE  31          3HG2      ILE  31  -3.223  -9.963   9.792
  249   2HG2  ILE  31          1HG2      ILE  31  -3.473 -10.309   8.064
  250   3HG2  ILE  31          2HG2      ILE  31  -3.041  -8.664   8.588
  251   1HD1  ILE  31          2HD1      ILE  31  -6.287  -9.902   6.714
  252   2HD1  ILE  31          3HD1      ILE  31  -5.111 -11.216   6.963
  253   3HD1  ILE  31          1HD1      ILE  31  -6.854 -11.535   7.140
  254    H    GLN  32           H        GLN  32  -3.616  -8.284  12.244
  255    HA   GLN  32           HA       GLN  32  -2.962  -5.592  11.324
  256   1HB   GLN  32          1HB       GLN  32  -3.976  -6.433  13.867
  257   2HB   GLN  32          2HB       GLN  32  -2.308  -5.959  14.122
  258   1HG   GLN  32          1HG       GLN  32  -4.149  -4.193  12.478
  259   2HG   GLN  32          2HG       GLN  32  -4.211  -4.130  14.229
  260   1HE2  GLN  32          2HE2      GLN  32  -1.213  -2.417  14.714
  261   2HE2  GLN  32          1HE2      GLN  32  -2.542  -3.288  15.400
  262    H    ALA  33           H        ALA  33  -0.731  -4.989  11.340
  263    HA   ALA  33           HA       ALA  33   1.234  -6.743  12.419
  264   1HB   ALA  33          1HB       ALA  33   0.309  -7.148   9.677
  265   2HB   ALA  33          2HB       ALA  33   2.042  -6.742   9.733
  266   3HB   ALA  33          3HB       ALA  33   1.423  -8.133  10.656
  267    H    ASP  34           H        ASP  34   2.980  -5.502  12.947
  268    HA   ASP  34           HA       ASP  34   2.953  -2.839  12.791
  269   1HB   ASP  34          1HB       ASP  34   4.624  -4.548  13.923
  270   2HB   ASP  34          2HB       ASP  34   5.576  -4.332  12.469
  271    H    GLY  35           H        GLY  35   4.515  -5.172  10.483
  272   1HA   GLY  35          1HA       GLY  35   5.251  -3.017   8.666
  273   2HA   GLY  35          2HA       GLY  35   5.646  -4.719   8.527
  274    H    LEU  36           H        LEU  36   2.319  -3.771   9.297
  275    HA   LEU  36           HA       LEU  36   1.583  -4.361   6.515
  276   1HB   LEU  36          1HB       LEU  36   1.132  -6.257   8.008
  277   2HB   LEU  36          2HB       LEU  36   0.152  -5.226   9.033
  278    HG   LEU  36           HG       LEU  36  -1.020  -4.868   6.559
  279   1HD1  LEU  36          2HD1      LEU  36   0.557  -6.829   5.868
  280   2HD1  LEU  36          3HD1      LEU  36  -0.630  -7.840   6.726
  281   3HD1  LEU  36          1HD1      LEU  36  -1.146  -6.832   5.353
  282   1HD2  LEU  36          1HD2      LEU  36  -1.633  -6.172   9.092
  283   2HD2  LEU  36          2HD2      LEU  36  -2.662  -5.182   8.029
  284   3HD2  LEU  36          3HD2      LEU  36  -2.477  -6.925   7.717
  285    H    VAL  37           H        VAL  37   0.659  -2.650   5.537
  286    HA   VAL  37           HA       VAL  37  -0.720  -0.728   7.283
  287    HB   VAL  37           HB       VAL  37   1.025  -0.386   4.860
  288   1HG1  VAL  37          3HG1      VAL  37  -1.378   1.137   5.512
  289   2HG1  VAL  37          1HG1      VAL  37   0.079   2.158   5.493
  290   3HG1  VAL  37          2HG1      VAL  37  -0.348   1.191   4.061
  291   1HG2  VAL  37          3HG2      VAL  37   1.128   0.305   7.730
  292   2HG2  VAL  37          1HG2      VAL  37   2.445   0.031   6.564
  293   3HG2  VAL  37          2HG2      VAL  37   1.628   1.610   6.629
  294    H    TRP  38           H        TRP  38  -2.832  -1.452   7.157
  295    HA   TRP  38           HA       TRP  38  -3.971  -2.579   4.876
  296   1HB   TRP  38          1HB       TRP  38  -4.924  -1.503   7.467
  297   2HB   TRP  38          2HB       TRP  38  -6.111  -1.579   6.179
  298    HD1  TRP  38           HD       TRP  38  -5.384  -3.609   8.947
  299    HE1  TRP  38          1HE       TRP  38  -5.726  -6.207   8.633
  300    HE3  TRP  38          3HE       TRP  38  -5.367  -3.529   3.863
  301    HZ2  TRP  38          2HZ       TRP  38  -5.946  -7.898   6.345
  302    HZ3  TRP  38          3HZ       TRP  38  -5.652  -5.696   2.666
  303    HH2  TRP  38           HH       TRP  38  -5.935  -7.831   3.825
  304    H    GLY  39           H        GLY  39  -5.039  -1.679   3.098
  305   1HA   GLY  39          1HA       GLY  39  -4.807   1.253   2.852
  306   2HA   GLY  39          2HA       GLY  39  -4.792   0.102   1.532
  307    H    SER  40           H        SER  40  -6.656  -0.027   0.371
  308    HA   SER  40           HA       SER  40  -9.126   0.380   1.858
  309   1HB   SER  40          1HB       SER  40 -10.050   1.629  -0.081
  310   2HB   SER  40          2HB       SER  40  -8.664   2.444   0.616
  311    HG   SER  40           HG       SER  40  -7.928   0.643  -1.380
  312    H    SER  41           H        SER  41 -10.703  -1.170   1.444
  313    HA   SER  41           HA       SER  41  -9.924  -3.239  -0.395
  314   1HB   SER  41          1HB       SER  41 -12.035  -4.362   0.617
  315   2HB   SER  41          2HB       SER  41 -10.649  -4.132   1.664
  316    HG   SER  41           HG       SER  41 -12.832  -2.239   1.501
  317    H    LYS  42           H        LYS  42 -11.631  -4.193  -1.899
  318    HA   LYS  42           HA       LYS  42 -13.506  -2.119  -2.791
  319   1HB   LYS  42          1HB       LYS  42 -12.190  -3.890  -4.810
  320   2HB   LYS  42          2HB       LYS  42 -12.848  -2.276  -4.990
  321   1HG   LYS  42          1HG       LYS  42 -10.828  -1.811  -3.163
  322   2HG   LYS  42          2HG       LYS  42 -10.136  -3.126  -4.091
  323   1HD   LYS  42          1HD       LYS  42 -11.343  -0.639  -5.385
  324   2HD   LYS  42          2HD       LYS  42  -9.645  -0.766  -4.969
  325   1HE   LYS  42          1HE       LYS  42 -10.035  -3.136  -6.350
  326   2HE   LYS  42          2HE       LYS  42 -11.154  -2.074  -7.180
  327   1HZ   LYS  42          1HZ       LYS  42  -8.429  -1.184  -6.633
  328   2HZ   LYS  42          2HZ       LYS  42  -8.741  -2.133  -7.925
  329   3HZ   LYS  42          3HZ       LYS  42  -9.459  -0.673  -7.792
  330    H    LEU  43           H        LEU  43 -15.431  -2.956  -3.882
  331    HA   LEU  43           HA       LEU  43 -15.934  -5.758  -3.149
  332   1HB   LEU  43          1HB       LEU  43 -17.437  -3.281  -2.598
  333   2HB   LEU  43          2HB       LEU  43 -18.403  -4.619  -3.186
  334    HG   LEU  43           HG       LEU  43 -18.351  -4.507  -0.736
  335   1HD1  LEU  43          1HD1      LEU  43 -17.080  -6.927  -2.026
  336   2HD1  LEU  43          2HD1      LEU  43 -17.598  -6.891  -0.324
  337   3HD1  LEU  43          3HD1      LEU  43 -18.792  -6.655  -1.623
  338   1HD2  LEU  43          2HD2      LEU  43 -16.034  -3.545  -0.594
  339   2HD2  LEU  43          3HD2      LEU  43 -16.385  -4.852   0.562
  340   3HD2  LEU  43          1HD2      LEU  43 -15.406  -5.183  -0.887
  341    H    VAL  44           H        VAL  44 -17.457  -6.912  -4.568
  342    HA   VAL  44           HA       VAL  44 -18.016  -5.665  -7.110
  343    HB   VAL  44           HB       VAL  44 -15.926  -7.764  -6.705
  344   1HG1  VAL  44          1HG1      VAL  44 -18.043  -7.837  -8.758
  345   2HG1  VAL  44          2HG1      VAL  44 -16.386  -7.926  -9.402
  346   3HG1  VAL  44          3HG1      VAL  44 -16.938  -9.115  -8.198
  347   1HG2  VAL  44          3HG2      VAL  44 -16.234  -5.294  -8.428
  348   2HG2  VAL  44          1HG2      VAL  44 -15.068  -5.593  -7.117
  349   3HG2  VAL  44          2HG2      VAL  44 -14.919  -6.471  -8.658
  350    HA   PRO  45           HA       PRO  45 -21.364  -8.320  -6.169
  351   1HB   PRO  45          1HB       PRO  45 -23.129  -7.284  -7.981
  352   2HB   PRO  45          2HB       PRO  45 -22.905  -6.621  -6.374
  353   1HG   PRO  45          1HG       PRO  45 -21.955  -5.562  -8.965
  354   2HG   PRO  45          2HG       PRO  45 -22.117  -4.730  -7.432
  355   1HD   PRO  45          1HD       PRO  45 -19.685  -5.679  -8.622
  356   2HD   PRO  45          2HD       PRO  45 -19.863  -4.950  -7.038
  357    H    VAL  46           H        VAL  46 -22.555 -10.103  -7.053
  358    HA   VAL  46           HA       VAL  46 -21.559 -10.823  -9.711
  359    HB   VAL  46           HB       VAL  46 -21.626 -12.643  -7.295
  360   1HG1  VAL  46          2HG1      VAL  46 -20.877 -13.100 -10.195
  361   2HG1  VAL  46          3HG1      VAL  46 -20.358 -14.181  -8.880
  362   3HG1  VAL  46          1HG1      VAL  46 -22.091 -13.958  -9.217
  363   1HG2  VAL  46          2HG2      VAL  46 -19.613 -10.793  -8.217
  364   2HG2  VAL  46          3HG2      VAL  46 -19.599 -11.861  -6.793
  365   3HG2  VAL  46          1HG2      VAL  46 -19.015 -12.463  -8.364
  366    H    GLY  47           H        GLY  47 -22.901 -12.770 -10.577
  367   1HA   GLY  47          1HA       GLY  47 -25.590 -12.016 -10.669
  368   2HA   GLY  47          2HA       GLY  47 -24.912 -13.532 -11.229
  369    H    TYR  48           H        TYR  48 -27.449 -13.594 -10.154
  370    HA   TYR  48           HA       TYR  48 -28.661 -14.761  -8.707
  371   1HB   TYR  48          1HB       TYR  48 -26.147 -15.979  -8.747
  372   2HB   TYR  48          2HB       TYR  48 -26.264 -15.554  -7.051
  373    HD1  TYR  48          1HD       TYR  48 -28.663 -16.194  -5.961
  374    HD2  TYR  48          2HD       TYR  48 -26.888 -18.086  -9.363
  375    HE1  TYR  48          1HE       TYR  48 -30.061 -18.276  -5.542
  376    HE2  TYR  48          2HE       TYR  48 -28.292 -20.162  -8.933
  377    HH   TYR  48           HH       TYR  48 -29.455 -21.065  -6.453
  378    H    GLY  49           H        GLY  49 -25.792 -13.681  -6.741
  379   1HA   GLY  49          1HA       GLY  49 -26.771 -11.483  -5.531
  380   2HA   GLY  49          2HA       GLY  49 -27.553 -12.769  -4.634
  381    H    ILE  50           H        ILE  50 -24.265 -12.728  -6.154
  382    HA   ILE  50           HA       ILE  50 -23.181 -13.141  -3.455
  383    HB   ILE  50           HB       ILE  50 -22.545 -14.380  -6.101
  384   1HG1  ILE  50          1HG1      ILE  50 -22.461 -15.720  -3.414
  385   2HG1  ILE  50          2HG1      ILE  50 -24.011 -15.336  -4.134
  386   1HG2  ILE  50          3HG2      ILE  50 -20.433 -13.366  -5.357
  387   2HG2  ILE  50          1HG2      ILE  50 -20.589 -14.198  -3.792
  388   3HG2  ILE  50          2HG2      ILE  50 -20.383 -15.143  -5.286
  389   1HD1  ILE  50          2HD1      ILE  50 -22.745 -16.439  -6.302
  390   2HD1  ILE  50          3HD1      ILE  50 -21.975 -17.341  -4.975
  391   3HD1  ILE  50          1HD1      ILE  50 -23.745 -17.369  -5.161
  392    H    LYS  51           H        LYS  51 -20.854 -12.358  -3.229
  393    HA   LYS  51           HA       LYS  51 -20.296 -10.100  -4.987
  394   1HB   LYS  51          1HB       LYS  51 -20.823  -9.943  -2.026
  395   2HB   LYS  51          2HB       LYS  51 -19.726  -8.812  -2.792
  396   1HG   LYS  51          1HG       LYS  51 -21.410  -7.791  -4.041
  397   2HG   LYS  51          2HG       LYS  51 -22.370  -9.253  -4.152
  398   1HD   LYS  51          1HD       LYS  51 -23.651  -8.008  -2.644
  399   2HD   LYS  51          2HD       LYS  51 -22.671  -8.948  -1.537
  400   1HE   LYS  51          1HE       LYS  51 -21.027  -6.760  -1.991
  401   2HE   LYS  51          2HE       LYS  51 -22.615  -6.024  -2.096
  402   1HZ   LYS  51          3HZ       LYS  51 -22.525  -7.802   0.067
  403   2HZ   LYS  51          1HZ       LYS  51 -21.281  -6.751   0.180
  404   3HZ   LYS  51          2HZ       LYS  51 -22.812  -6.195   0.076
  405    H    LYS  52           H        LYS  52 -18.017  -9.330  -4.743
  406    HA   LYS  52           HA       LYS  52 -16.334 -11.638  -4.183
  407   1HB   LYS  52          1HB       LYS  52 -16.392  -9.659  -6.207
  408   2HB   LYS  52          2HB       LYS  52 -14.934  -9.367  -5.282
  409   1HG   LYS  52          1HG       LYS  52 -14.365 -11.829  -5.489
  410   2HG   LYS  52          2HG       LYS  52 -15.770 -12.033  -6.515
  411   1HD   LYS  52          1HD       LYS  52 -14.219  -9.783  -7.493
  412   2HD   LYS  52          2HD       LYS  52 -13.149 -11.153  -7.275
  413   1HE   LYS  52          1HE       LYS  52 -14.778 -12.579  -8.595
  414   2HE   LYS  52          2HE       LYS  52 -15.749 -11.150  -8.882
  415   1HZ   LYS  52          1HZ       LYS  52 -13.846 -10.145  -9.954
  416   2HZ   LYS  52          2HZ       LYS  52 -12.943 -11.479  -9.690
  417   3HZ   LYS  52          3HZ       LYS  52 -14.237 -11.554 -10.683
  418    H    LEU  53           H        LEU  53 -14.473 -11.513  -2.809
  419    HA   LEU  53           HA       LEU  53 -14.730  -9.364  -0.826
  420   1HB   LEU  53          1HB       LEU  53 -14.596 -12.212  -0.605
  421   2HB   LEU  53          2HB       LEU  53 -13.165 -11.529   0.141
  422    HG   LEU  53           HG       LEU  53 -15.295 -11.940   1.566
  423   1HD1  LEU  53          2HD1      LEU  53 -13.348  -9.708   1.622
  424   2HD1  LEU  53          3HD1      LEU  53 -14.768  -9.542   2.683
  425   3HD1  LEU  53          1HD1      LEU  53 -13.705 -10.962   2.833
  426   1HD2  LEU  53          3HD2      LEU  53 -16.533 -10.402  -0.280
  427   2HD2  LEU  53          1HD2      LEU  53 -17.093 -10.591   1.400
  428   3HD2  LEU  53          2HD2      LEU  53 -16.126  -9.170   0.938
  429    H    GLN  54           H        GLN  54 -13.505  -8.081  -2.546
  430    HA   GLN  54           HA       GLN  54 -10.726  -8.852  -2.683
  431   1HB   GLN  54          1HB       GLN  54 -11.605  -8.165  -4.794
  432   2HB   GLN  54          2HB       GLN  54 -12.422  -6.775  -4.105
  433   1HG   GLN  54          1HG       GLN  54 -10.399  -5.551  -3.839
  434   2HG   GLN  54          2HG       GLN  54  -9.402  -6.990  -3.914
  435   1HE2  GLN  54          2HE2      GLN  54  -9.352  -7.291  -7.438
  436   2HE2  GLN  54          1HE2      GLN  54  -9.231  -8.134  -5.930
  437    H    ILE  55           H        ILE  55  -9.019  -7.656  -1.758
  438    HA   ILE  55           HA       ILE  55  -9.694  -5.203  -0.368
  439    HB   ILE  55           HB       ILE  55  -9.557  -5.938   1.713
  440   1HG1  ILE  55          1HG1      ILE  55  -7.082  -6.242   1.393
  441   2HG1  ILE  55          2HG1      ILE  55  -7.807  -7.250   2.630
  442   1HG2  ILE  55          1HG2      ILE  55 -11.117  -7.563   0.772
  443   2HG2  ILE  55          2HG2      ILE  55  -9.770  -8.671   0.419
  444   3HG2  ILE  55          3HG2      ILE  55 -10.177  -8.275   2.105
  445   1HD1  ILE  55          3HD1      ILE  55  -7.227  -8.152  -0.230
  446   2HD1  ILE  55          1HD1      ILE  55  -6.229  -8.537   1.193
  447   3HD1  ILE  55          2HD1      ILE  55  -7.888  -9.170   1.073
  448    H    GLN  56           H        GLN  56  -7.686  -4.061   0.385
  449    HA   GLN  56           HA       GLN  56  -5.395  -4.961  -1.176
  450   1HB   GLN  56          1HB       GLN  56  -6.505  -3.070  -2.329
  451   2HB   GLN  56          2HB       GLN  56  -6.400  -2.098  -0.874
  452   1HG   GLN  56          1HG       GLN  56  -4.483  -1.351  -1.949
  453   2HG   GLN  56          2HG       GLN  56  -3.793  -2.688  -1.050
  454   1HE2  GLN  56          2HE2      GLN  56  -2.951  -4.657  -3.789
  455   2HE2  GLN  56          1HE2      GLN  56  -3.035  -4.459  -2.070
  456    H    CYS  57           H        CYS  57  -3.335  -4.665  -0.204
  457    HA   CYS  57           HA       CYS  57  -3.389  -3.469   2.461
  458   1HB   CYS  57          1HB       CYS  57  -1.661  -5.414   2.986
  459   2HB   CYS  57          2HB       CYS  57  -3.385  -5.628   3.213
  460    HG   CYS  57           HG       CYS  57  -3.357  -7.649   1.961
  461    H    VAL  58           H        VAL  58  -1.106  -2.867   3.174
  462    HA   VAL  58           HA       VAL  58   0.627  -2.444   0.839
  463    HB   VAL  58           HB       VAL  58   0.076  -0.519   3.106
  464   1HG1  VAL  58          3HG1      VAL  58   2.105  -0.614   0.938
  465   2HG1  VAL  58          1HG1      VAL  58   1.315   0.958   1.208
  466   3HG1  VAL  58          2HG1      VAL  58   2.171   0.151   2.543
  467   1HG2  VAL  58          3HG2      VAL  58  -0.837  -0.519   0.213
  468   2HG2  VAL  58          1HG2      VAL  58  -1.851  -0.581   1.674
  469   3HG2  VAL  58          2HG2      VAL  58  -0.934   0.896   1.290
  470    H    VAL  59           H        VAL  59   2.344  -3.781   1.119
  471    HA   VAL  59           HA       VAL  59   3.268  -4.218   3.859
  472    HB   VAL  59           HB       VAL  59   4.144  -6.227   3.141
  473   1HG1  VAL  59          2HG1      VAL  59   1.656  -5.668   1.505
  474   2HG1  VAL  59          3HG1      VAL  59   2.390  -7.284   1.638
  475   3HG1  VAL  59          1HG1      VAL  59   1.778  -6.463   3.093
  476   1HG2  VAL  59          3HG2      VAL  59   4.186  -5.024   0.367
  477   2HG2  VAL  59          1HG2      VAL  59   5.545  -5.629   1.343
  478   3HG2  VAL  59          2HG2      VAL  59   4.376  -6.772   0.642
  479    H    GLU  60           H        GLU  60   5.798  -4.517   3.957
  480    HA   GLU  60           HA       GLU  60   6.834  -2.033   2.984
  481   1HB   GLU  60          1HB       GLU  60   7.489  -3.976   5.101
  482   2HB   GLU  60          2HB       GLU  60   8.919  -3.388   4.276
  483   1HG   GLU  60          1HG       GLU  60   6.747  -1.513   5.309
  484   2HG   GLU  60          2HG       GLU  60   8.106  -2.008   6.300
  485    H    ASP  61           H        ASP  61   6.635  -2.761   0.650
  486    HA   ASP  61           HA       ASP  61   7.641  -3.260  -1.209
  487   1HB   ASP  61          1HB       ASP  61   9.792  -2.759   0.446
  488   2HB   ASP  61          2HB       ASP  61  10.140  -4.407  -0.041
  489    H    ASP  62           H        ASP  62   9.133  -5.623   1.144
  490    HA   ASP  62           HA       ASP  62   7.492  -7.710   0.082
  491   1HB   ASP  62          1HB       ASP  62   9.582  -7.512  -1.417
  492   2HB   ASP  62          2HB       ASP  62  10.528  -7.991  -0.021
  493    H    LYS  63           H        LYS  63   8.042  -6.230   2.657
  494    HA   LYS  63           HA       LYS  63   9.533  -8.086   4.278
  495   1HB   LYS  63          1HB       LYS  63   8.967  -5.363   4.399
  496   2HB   LYS  63          2HB       LYS  63   7.986  -6.040   5.682
  497   1HG   LYS  63          1HG       LYS  63   9.965  -7.197   6.629
  498   2HG   LYS  63          2HG       LYS  63  10.961  -6.624   5.307
  499   1HD   LYS  63          1HD       LYS  63  10.567  -4.267   5.998
  500   2HD   LYS  63          2HD       LYS  63   9.510  -4.806   7.288
  501   1HE   LYS  63          1HE       LYS  63  11.388  -6.011   8.370
  502   2HE   LYS  63          2HE       LYS  63  12.454  -5.589   7.045
  503   1HZ   LYS  63          1HZ       LYS  63  11.083  -3.424   8.391
  504   2HZ   LYS  63          2HZ       LYS  63  12.308  -4.149   9.191
  505   3HZ   LYS  63          3HZ       LYS  63  12.578  -3.458   7.736
  506    H    VAL  64           H        VAL  64   6.111  -6.861   4.163
  507    HA   VAL  64           HA       VAL  64   5.334  -9.225   5.686
  508    HB   VAL  64           HB       VAL  64   4.112  -6.549   5.093
  509   1HG1  VAL  64          3HG1      VAL  64   2.670  -9.096   5.492
  510   2HG1  VAL  64          1HG1      VAL  64   2.169  -7.776   6.575
  511   3HG1  VAL  64          2HG1      VAL  64   2.110  -7.550   4.811
  512   1HG2  VAL  64          2HG2      VAL  64   4.700  -8.131   7.614
  513   2HG2  VAL  64          3HG2      VAL  64   5.485  -6.634   7.056
  514   3HG2  VAL  64          1HG2      VAL  64   3.788  -6.603   7.591
  515    H    GLY  65           H        GLY  65   4.701 -11.006   4.597
  516   1HA   GLY  65          1HA       GLY  65   3.836 -10.690   1.809
  517   2HA   GLY  65          2HA       GLY  65   4.394 -12.159   2.583
  518    H    THR  66           H        THR  66   2.056 -12.266   1.102
  519    HA   THR  66           HA       THR  66  -0.227 -11.819   2.779
  520    HB   THR  66           HB       THR  66   0.372 -12.940   0.028
  521    HG1  THR  66          1HG       THR  66  -1.144 -11.156  -0.372
  522   1HG2  THR  66          3HG2      THR  66  -2.172 -13.302   1.665
  523   2HG2  THR  66          1HG2      THR  66  -2.247 -13.100  -0.102
  524   3HG2  THR  66          2HG2      THR  66  -1.368 -14.480   0.599
  525    H    ASP  67           H        ASP  67   2.254 -13.988   3.058
  526    HA   ASP  67           HA       ASP  67   1.072 -16.425   3.255
  527   1HB   ASP  67          1HB       ASP  67   2.858 -16.770   5.144
  528   2HB   ASP  67          2HB       ASP  67   3.407 -16.418   3.518
  529    H    MET  68           H        MET  68   1.703 -14.016   5.929
  530    HA   MET  68           HA       MET  68   0.305 -15.401   7.862
  531   1HB   MET  68          1HB       MET  68   1.822 -13.050   7.668
  532   2HB   MET  68          2HB       MET  68   0.231 -12.425   8.055
  533   1HG   MET  68          1HG       MET  68   1.664 -14.609   9.645
  534   2HG   MET  68          2HG       MET  68   1.616 -12.918  10.101
  535   1HE   MET  68          2HE       MET  68  -0.535 -11.578  10.419
  536   2HE   MET  68          3HE       MET  68  -1.511 -12.222   9.076
  537   3HE   MET  68          1HE       MET  68  -2.147 -12.264  10.738
  538    H    LEU  69           H        LEU  69  -0.737 -12.512   5.907
  539    HA   LEU  69           HA       LEU  69  -3.290 -12.322   6.889
  540   1HB   LEU  69          1HB       LEU  69  -2.293 -11.754   4.094
  541   2HB   LEU  69          2HB       LEU  69  -3.808 -11.184   4.765
  542    HG   LEU  69           HG       LEU  69  -1.776 -10.387   6.578
  543   1HD1  LEU  69          3HD1      LEU  69  -0.158 -10.790   4.764
  544   2HD1  LEU  69          1HD1      LEU  69  -1.066  -9.667   3.722
  545   3HD1  LEU  69          2HD1      LEU  69  -0.276  -9.068   5.201
  546   1HD2  LEU  69          2HD2      LEU  69  -3.896  -9.235   6.178
  547   2HD2  LEU  69          3HD2      LEU  69  -2.511  -8.135   5.982
  548   3HD2  LEU  69          1HD2      LEU  69  -3.347  -8.776   4.548
  549    H    GLU  70           H        GLU  70  -2.094 -14.272   4.076
  550    HA   GLU  70           HA       GLU  70  -4.534 -15.291   3.365
  551   1HB   GLU  70          1HB       GLU  70  -2.554 -15.525   1.955
  552   2HB   GLU  70          2HB       GLU  70  -1.748 -16.508   3.162
  553   1HG   GLU  70          1HG       GLU  70  -3.828 -18.107   2.922
  554   2HG   GLU  70          2HG       GLU  70  -4.135 -17.238   1.432
  555    H    GLU  71           H        GLU  71  -2.049 -16.654   5.634
  556    HA   GLU  71           HA       GLU  71  -3.439 -18.946   6.241
  557   1HB   GLU  71          1HB       GLU  71  -1.157 -17.437   7.322
  558   2HB   GLU  71          2HB       GLU  71  -2.046 -18.267   8.585
  559   1HG   GLU  71          1HG       GLU  71  -1.911 -20.175   6.522
  560   2HG   GLU  71          2HG       GLU  71  -0.347 -19.386   6.449
  561    H    GLN  72           H        GLN  72  -4.195 -15.662   6.960
  562    HA   GLN  72           HA       GLN  72  -5.769 -16.444   9.267
  563   1HB   GLN  72          1HB       GLN  72  -4.231 -14.410   9.332
  564   2HB   GLN  72          2HB       GLN  72  -5.293 -13.640   8.171
  565   1HG   GLN  72          1HG       GLN  72  -6.558 -12.934   9.917
  566   2HG   GLN  72          2HG       GLN  72  -7.054 -14.599  10.151
  567   1HE2  GLN  72          2HE2      GLN  72  -3.878 -13.085  12.365
  568   2HE2  GLN  72          1HE2      GLN  72  -4.182 -12.568  10.740
  569    H    ILE  73           H        ILE  73  -6.015 -14.858   6.026
  570    HA   ILE  73           HA       ILE  73  -8.827 -14.558   6.172
  571    HB   ILE  73           HB       ILE  73  -7.031 -14.598   3.745
  572   1HG1  ILE  73          1HG1      ILE  73  -7.840 -12.051   5.077
  573   2HG1  ILE  73          2HG1      ILE  73  -6.563 -12.986   5.829
  574   1HG2  ILE  73          3HG2      ILE  73  -9.829 -13.590   4.255
  575   2HG2  ILE  73          1HG2      ILE  73  -8.826 -12.979   2.917
  576   3HG2  ILE  73          2HG2      ILE  73  -9.251 -14.706   2.994
  577   1HD1  ILE  73          1HD1      ILE  73  -6.553 -12.275   2.864
  578   2HD1  ILE  73          2HD1      ILE  73  -5.783 -11.266   4.112
  579   3HD1  ILE  73          3HD1      ILE  73  -5.205 -12.926   3.827
  580    H    THR  74           H        THR  74  -6.648 -16.909   4.465
  581    HA   THR  74           HA       THR  74  -8.882 -18.510   3.653
  582    HB   THR  74           HB       THR  74  -7.179 -19.801   2.550
  583    HG1  THR  74          1HG       THR  74  -5.517 -18.503   4.593
  584   1HG2  THR  74          1HG2      THR  74  -7.203 -17.178   2.012
  585   2HG2  THR  74          2HG2      THR  74  -5.621 -17.216   2.824
  586   3HG2  THR  74          3HG2      THR  74  -5.899 -18.206   1.373
  587    H    ALA  75           H        ALA  75  -7.587 -17.959   6.660
  588    HA   ALA  75           HA       ALA  75  -7.356 -20.621   7.607
  589   1HB   ALA  75          1HB       ALA  75  -6.927 -17.958   8.539
  590   2HB   ALA  75          2HB       ALA  75  -8.039 -18.747   9.683
  591   3HB   ALA  75          3HB       ALA  75  -6.460 -19.486   9.323
  592    H    PHE  76           H        PHE  76 -10.012 -18.715   6.585
  593    HA   PHE  76           HA       PHE  76 -11.833 -20.206   8.330
  594   1HB   PHE  76          1HB       PHE  76 -11.652 -17.498   7.132
  595   2HB   PHE  76          2HB       PHE  76 -13.195 -18.243   6.762
  596    HD1  PHE  76          1HD       PHE  76 -11.087 -18.435   9.836
  597    HD2  PHE  76          2HD       PHE  76 -14.772 -17.224   8.113
  598    HE1  PHE  76          1HE       PHE  76 -11.942 -17.796  12.109
  599    HE2  PHE  76          2HE       PHE  76 -15.625 -16.586  10.386
  600    HZ   PHE  76           HZ       PHE  76 -14.199 -16.879  12.356
  601    H    GLU  77           H        GLU  77 -12.057 -22.186   7.250
  602    HA   GLU  77           HA       GLU  77 -12.557 -22.103   4.422
  603   1HB   GLU  77          1HB       GLU  77 -12.873 -24.729   5.089
  604   2HB   GLU  77          2HB       GLU  77 -11.319 -23.997   4.737
  605   1HG   GLU  77          1HG       GLU  77 -10.841 -23.657   7.093
  606   2HG   GLU  77          2HG       GLU  77 -12.488 -24.044   7.552
  607    H    ASP  78           H        ASP  78 -14.371 -21.625   7.206
  608    HA   ASP  78           HA       ASP  78 -16.678 -23.051   6.224
  609   1HB   ASP  78          1HB       ASP  78 -17.692 -21.904   8.368
  610   2HB   ASP  78          2HB       ASP  78 -16.584 -23.249   8.556
  611    H    TYR  79           H        TYR  79 -15.262 -20.474   5.069
  612    HA   TYR  79           HA       TYR  79 -17.728 -19.063   4.541
  613   1HB   TYR  79          1HB       TYR  79 -15.269 -18.020   6.047
  614   2HB   TYR  79          2HB       TYR  79 -16.256 -16.901   5.127
  615    HD1  TYR  79          1HD       TYR  79 -16.303 -19.283   7.978
  616    HD2  TYR  79          2HD       TYR  79 -18.333 -16.091   5.979
  617    HE1  TYR  79          1HE       TYR  79 -17.885 -19.041   9.954
  618    HE2  TYR  79          2HE       TYR  79 -19.908 -15.860   7.962
  619    HH   TYR  79           HH       TYR  79 -20.681 -16.963   9.780
  620    H    VAL  80           H        VAL  80 -14.132 -19.227   4.177
  621    HA   VAL  80           HA       VAL  80 -14.310 -17.933   1.602
  622    HB   VAL  80           HB       VAL  80 -12.027 -19.088   3.212
  623   1HG1  VAL  80          1HG1      VAL  80 -12.131 -17.970   0.437
  624   2HG1  VAL  80          2HG1      VAL  80 -10.736 -17.556   1.463
  625   3HG1  VAL  80          3HG1      VAL  80 -11.110 -19.261   1.115
  626   1HG2  VAL  80          2HG2      VAL  80 -13.403 -16.517   3.176
  627   2HG2  VAL  80          3HG2      VAL  80 -12.217 -17.163   4.336
  628   3HG2  VAL  80          1HG2      VAL  80 -11.659 -16.346   2.857
  629    H    GLN  81           H        GLN  81 -14.416 -18.945  -0.354
  630    HA   GLN  81           HA       GLN  81 -14.675 -21.797  -0.273
  631   1HB   GLN  81          1HB       GLN  81 -16.242 -20.320  -1.573
  632   2HB   GLN  81          2HB       GLN  81 -14.917 -19.874  -2.629
  633   1HG   GLN  81          1HG       GLN  81 -14.619 -22.471  -2.972
  634   2HG   GLN  81          2HG       GLN  81 -16.238 -22.590  -2.314
  635   1HE2  GLN  81          2HE2      GLN  81 -15.670 -21.732  -6.169
  636   2HE2  GLN  81          1HE2      GLN  81 -14.510 -22.402  -5.071
  637    H    SER  82           H        SER  82 -12.413 -19.300  -1.474
  638    HA   SER  82           HA       SER  82 -10.244 -20.932  -1.405
  639   1HB   SER  82          1HB       SER  82 -11.719 -21.050  -4.024
  640   2HB   SER  82          2HB       SER  82  -9.969 -20.986  -4.085
  641    HG   SER  82           HG       SER  82 -11.598 -23.105  -3.458
  642    H    MET  83           H        MET  83  -8.730 -19.356  -1.038
  643    HA   MET  83           HA       MET  83  -9.188 -16.763  -2.184
  644   1HB   MET  83          1HB       MET  83  -8.523 -16.813   0.152
  645   2HB   MET  83          2HB       MET  83  -7.225 -17.947  -0.162
  646   1HG   MET  83          1HG       MET  83  -7.166 -15.252  -1.541
  647   2HG   MET  83          2HG       MET  83  -6.711 -15.344   0.148
  648   1HE   MET  83          3HE       MET  83  -4.646 -14.880   0.383
  649   2HE   MET  83          1HE       MET  83  -3.198 -15.751  -0.179
  650   3HE   MET  83          2HE       MET  83  -3.944 -14.506  -1.209
  651    H    ASP  84           H        ASP  84  -7.534 -15.566  -3.396
  652    HA   ASP  84           HA       ASP  84  -5.406 -17.190  -4.464
  653   1HB   ASP  84          1HB       ASP  84  -7.744 -16.105  -6.023
  654   2HB   ASP  84          2HB       ASP  84  -6.169 -16.015  -6.785
  655    H    VAL  85           H        VAL  85  -4.401 -15.437  -6.390
  656    HA   VAL  85           HA       VAL  85  -4.020 -12.976  -4.838
  657    HB   VAL  85           HB       VAL  85  -2.240 -14.442  -6.791
  658   1HG1  VAL  85          2HG1      VAL  85  -2.228 -11.838  -6.844
  659   2HG1  VAL  85          3HG1      VAL  85  -1.399 -11.979  -5.275
  660   3HG1  VAL  85          1HG1      VAL  85  -0.682 -12.713  -6.728
  661   1HG2  VAL  85          1HG2      VAL  85  -2.033 -13.912  -3.809
  662   2HG2  VAL  85          2HG2      VAL  85  -2.252 -15.483  -4.614
  663   3HG2  VAL  85          3HG2      VAL  85  -0.724 -14.591  -4.806
  664    H    ALA  86           H        ALA  86  -4.168 -10.949  -5.881
  665    HA   ALA  86           HA       ALA  86  -5.597 -11.090  -8.436
  666   1HB   ALA  86          2HB       ALA  86  -6.010  -9.675  -5.983
  667   2HB   ALA  86          3HB       ALA  86  -5.628  -8.477  -7.243
  668   3HB   ALA  86          1HB       ALA  86  -6.982  -9.610  -7.473
  669    H    ALA  87           H        ALA  87  -2.681  -9.944  -6.779
  670    HA   ALA  87           HA       ALA  87  -1.167  -9.691  -9.023
  671   1HB   ALA  87          3HB       ALA  87  -2.773  -7.206  -8.422
  672   2HB   ALA  87          1HB       ALA  87  -1.139  -7.069  -9.112
  673   3HB   ALA  87          2HB       ALA  87  -2.405  -7.959  -9.992
  674    H    PHE  88           H        PHE  88   0.827  -8.130  -8.547
  675    HA   PHE  88           HA       PHE  88   1.197  -7.643  -5.733
  676   1HB   PHE  88          1HB       PHE  88   1.947 -10.120  -7.004
  677   2HB   PHE  88          2HB       PHE  88   3.438  -9.220  -6.819
  678    HD1  PHE  88          2HD       PHE  88   4.174  -8.516  -4.540
  679    HD2  PHE  88          1HD       PHE  88   0.860 -11.100  -5.126
  680    HE1  PHE  88          2HE       PHE  88   4.310  -9.234  -2.139
  681    HE2  PHE  88          1HE       PHE  88   0.996 -11.817  -2.724
  682    HZ   PHE  88           HZ       PHE  88   2.720 -10.876  -1.260
  683    H    ASN  89           H        ASN  89   1.558  -5.456  -6.300
  684    HA   ASN  89           HA       ASN  89   4.162  -5.041  -7.455
  685   1HB   ASN  89          1HB       ASN  89   3.218  -3.155  -8.909
  686   2HB   ASN  89          2HB       ASN  89   2.784  -4.768  -9.439
  687   1HD2  ASN  89          2HD2      ASN  89  -0.653  -4.505  -8.890
  688   2HD2  ASN  89          1HD2      ASN  89   0.706  -5.514  -9.258
  689    H    LYS  90           H        LYS  90   4.600  -2.457  -7.288
  690    HA   LYS  90           HA       LYS  90   3.907  -1.755  -4.582
  691   1HB   LYS  90          1HB       LYS  90   6.171  -1.415  -5.106
  692   2HB   LYS  90          2HB       LYS  90   5.812  -0.684  -6.657
  693   1HG   LYS  90          1HG       LYS  90   4.880   1.313  -5.569
  694   2HG   LYS  90          2HG       LYS  90   5.018   0.569  -3.988
  695   1HD   LYS  90          1HD       LYS  90   7.506   0.471  -4.251
  696   2HD   LYS  90          2HD       LYS  90   7.368   1.214  -5.833
  697   1HE   LYS  90          1HE       LYS  90   5.940   2.754  -3.758
  698   2HE   LYS  90          2HE       LYS  90   7.642   2.568  -3.385
  699   1HZ   LYS  90          1HZ       LYS  90   8.060   3.305  -5.711
  700   2HZ   LYS  90          2HZ       LYS  90   6.480   3.700  -5.826
  701   3HZ   LYS  90          3HZ       LYS  90   7.431   4.450  -4.731
  702    H    ILE  91           H        ILE  91   3.277   0.539  -4.128
  703    HA   ILE  91           HA       ILE  91   1.044   1.277  -5.946
  704    HB   ILE  91           HB       ILE  91   0.927   2.681  -3.467
  705   1HG1  ILE  91          1HG1      ILE  91   1.866  -0.176  -3.290
  706   2HG1  ILE  91          2HG1      ILE  91   2.273   1.215  -2.256
  707   1HG2  ILE  91          1HG2      ILE  91  -0.966   1.935  -4.894
  708   2HG2  ILE  91          2HG2      ILE  91  -0.597   0.243  -4.482
  709   3HG2  ILE  91          3HG2      ILE  91  -1.147   1.367  -3.217
  710   1HD1  ILE  91          2HD1      ILE  91  -0.100   1.197  -1.410
  711   2HD1  ILE  91          3HD1      ILE  91  -0.369  -0.301  -2.334
  712   3HD1  ILE  91          1HD1      ILE  91   0.814  -0.278  -1.004
   
  No H/Q in entry =         712